smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(CN2CCCC2)cc1Cl ZINC000258137092 349493181 /nfs/dbraw/zinc/49/31/81/349493181.db2.gz OEMGHIQHKLZZPM-UHFFFAOYSA-N -1 3 239.702 2.634 20 0 BFADHM Cc1cc(F)ccc1CNCc1ncccc1[O-] ZINC000355340745 178086584 /nfs/dbraw/zinc/08/65/84/178086584.db2.gz WVJBABHSXXCASI-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM CCC(CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000176253613 168340583 /nfs/dbraw/zinc/34/05/83/168340583.db2.gz QAVVIIISYKCDIX-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM CC(C)CCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000272167659 538925540 /nfs/dbraw/zinc/92/55/40/538925540.db2.gz FNYIYZREHUKSPW-UHFFFAOYSA-N -1 3 232.283 2.630 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2)n1 ZINC000339115696 187328130 /nfs/dbraw/zinc/32/81/30/187328130.db2.gz QXRDHNTXKZCJCF-QPJJXVBHSA-N -1 3 230.242 2.800 20 0 BFADHM CCCC(C)(C)C(=O)N=c1cc2ccccn2[n-]1 ZINC000650022595 398221070 /nfs/dbraw/zinc/22/10/70/398221070.db2.gz MBNHTIAKTGREMV-UHFFFAOYSA-N -1 3 245.326 2.521 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCCCCC2)n1 ZINC000192525174 178203548 /nfs/dbraw/zinc/20/35/48/178203548.db2.gz MTKQJXSHIZHVFL-GFCCVEGCSA-N -1 3 249.358 2.818 20 0 BFADHM CCC(CC)CNC(=O)c1ccc([O-])c(C)c1 ZINC000226996292 168358966 /nfs/dbraw/zinc/35/89/66/168358966.db2.gz PUEVVQPDZCPRMO-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM [O-]c1cc(F)cc(CNC2(CF)CCC2)c1 ZINC000576465219 365602587 /nfs/dbraw/zinc/60/25/87/365602587.db2.gz BOSRLWGOVWEQLI-UHFFFAOYSA-N -1 3 227.254 2.513 20 0 BFADHM Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000084689038 178326249 /nfs/dbraw/zinc/32/62/49/178326249.db2.gz LSIHYXGBAHHPTI-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000084689038 178326252 /nfs/dbraw/zinc/32/62/52/178326252.db2.gz LSIHYXGBAHHPTI-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM Cc1ccc(-c2nc(CC(C)C)no2)c([O-])c1 ZINC000109037127 178333750 /nfs/dbraw/zinc/33/37/50/178333750.db2.gz JXIOSGBAZFPESE-UHFFFAOYSA-N -1 3 232.283 2.949 20 0 BFADHM Cc1[nH]ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000176121595 365671910 /nfs/dbraw/zinc/67/19/10/365671910.db2.gz ZDUVNRJUXCFLQI-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM Cc1ccc(C(=O)N(C)CC(C)(C)C)c([O-])c1 ZINC000045089496 178376420 /nfs/dbraw/zinc/37/64/20/178376420.db2.gz CZXUTIKBGONFCL-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000336547670 178379303 /nfs/dbraw/zinc/37/93/03/178379303.db2.gz AFNQENBRSMVVHD-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000336439738 178380949 /nfs/dbraw/zinc/38/09/49/178380949.db2.gz OBJYKJIERYYPHP-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)Nc2ccccc2[O-])co1 ZINC000188614121 346826418 /nfs/dbraw/zinc/82/64/18/346826418.db2.gz MJNFGPLIMAQAHS-UHFFFAOYSA-N -1 3 217.224 2.546 20 0 BFADHM Cc1cccc(NC(=O)c2cccc([O-])c2)c1O ZINC000182913900 538965459 /nfs/dbraw/zinc/96/54/59/538965459.db2.gz AVCAQBBCAJJQFN-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)CC1CCCC1 ZINC000624889943 342836572 /nfs/dbraw/zinc/83/65/72/342836572.db2.gz PVYOAVFTQNWIBY-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM COCCCN(C)Cc1cc([O-])ccc1Cl ZINC000625106022 342858377 /nfs/dbraw/zinc/85/83/77/342858377.db2.gz MJGUTDJTIUVZKO-UHFFFAOYSA-N -1 3 243.734 2.514 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000628028155 342881096 /nfs/dbraw/zinc/88/10/96/342881096.db2.gz SZPNXDUAEVEVSY-RYUDHWBXSA-N -1 3 245.322 2.715 20 0 BFADHM CCCn1[n-]c(-c2ccccc2)c(CC)c1=O ZINC000634592949 342946769 /nfs/dbraw/zinc/94/67/69/342946769.db2.gz ZYRQWJJLRFSEIQ-GFCCVEGCSA-N -1 3 230.311 2.669 20 0 BFADHM C[C@H]1CCc2[n-]n(C3CCCCC3)c(=O)c21 ZINC000634593917 342953280 /nfs/dbraw/zinc/95/32/80/342953280.db2.gz DNOVBHJILQJRCY-JOYOIKCWSA-N -1 3 220.316 2.563 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC=CCC1 ZINC000129675849 344019643 /nfs/dbraw/zinc/01/96/43/344019643.db2.gz NBVBUOSXECRRJL-VIFPVBQESA-N -1 3 235.258 2.826 20 0 BFADHM Cc1[n-]n([C@@H]2CCC[C@H](C)C2)c(=O)c1C1CC1 ZINC000634600637 342993558 /nfs/dbraw/zinc/99/35/58/342993558.db2.gz NRBYNSFRWSPBPT-BIMULSAOSA-N -1 3 234.343 2.809 20 0 BFADHM Cc1[n-]n(C2CCC(C)CC2)c(=O)c1C1CC1 ZINC000634599262 342987662 /nfs/dbraw/zinc/98/76/62/342987662.db2.gz DPCDSEGNUPAXKS-UTVJUBTNSA-N -1 3 234.343 2.809 20 0 BFADHM Cc1ccc(CN(C)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000235163056 342988530 /nfs/dbraw/zinc/98/85/30/342988530.db2.gz LRBWXAIFOKCCPP-SECBINFHSA-N -1 3 241.718 2.553 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042435361 342996706 /nfs/dbraw/zinc/99/67/06/342996706.db2.gz MPDMWHUNZWGOAZ-GHMZBOCLSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1[n-]n(CCC(C)(C)C)c(=O)c1C1CC1 ZINC000634620344 343019283 /nfs/dbraw/zinc/01/92/83/343019283.db2.gz AJTPPWAZSXGFKQ-LLVKDONJSA-N -1 3 222.332 2.667 20 0 BFADHM CCC(CC)Cn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634622026 343020832 /nfs/dbraw/zinc/02/08/32/343020832.db2.gz VRTGUPRPMSHMJN-CABZTGNLSA-N -1 3 222.332 2.667 20 0 BFADHM CCC(CC)Cn1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634622028 343020876 /nfs/dbraw/zinc/02/08/76/343020876.db2.gz VRTGUPRPMSHMJN-SKDRFNHKSA-N -1 3 222.332 2.667 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(C)CC(C)C ZINC000576829965 365697352 /nfs/dbraw/zinc/69/73/52/365697352.db2.gz LABFQPKNYGMYSI-UHFFFAOYSA-N -1 3 239.315 2.628 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCc1ccccc1 ZINC000140678783 343079053 /nfs/dbraw/zinc/07/90/53/343079053.db2.gz KMRBFPBFLAVYTR-UHFFFAOYSA-N -1 3 241.290 2.631 20 0 BFADHM Cc1cc(OCC2CC=CC2)cc2occ([O-])c21 ZINC000634561030 362050610 /nfs/dbraw/zinc/05/06/10/362050610.db2.gz INAFAJUKOBGEBM-UHFFFAOYSA-N -1 3 244.290 2.915 20 0 BFADHM Cc1oc(CN2CCC(C)(C)C2)cc1C(=O)[O-] ZINC000094805571 343153528 /nfs/dbraw/zinc/15/35/28/343153528.db2.gz NEMSUMUTYNXWSW-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CCC1(C)CCN(c2ccncc2C(=O)[O-])CC1 ZINC000126171631 343169113 /nfs/dbraw/zinc/16/91/13/343169113.db2.gz YHQPIAOWUZSNDR-UHFFFAOYSA-N -1 3 248.326 2.796 20 0 BFADHM Cc1oc(CN2C[C@@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000159982698 343202775 /nfs/dbraw/zinc/20/27/75/343202775.db2.gz UHYPPSWJLIAMCN-PHIMTYICSA-N -1 3 249.310 2.518 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H]1C ZINC000625283747 343219895 /nfs/dbraw/zinc/21/98/95/343219895.db2.gz DJRZJIZVGXEVQU-MWLCHTKSSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H]1C ZINC000625283743 343219912 /nfs/dbraw/zinc/21/99/12/343219912.db2.gz DJRZJIZVGXEVQU-KOLCDFICSA-N -1 3 233.311 2.619 20 0 BFADHM CCCN(CC)Cc1cc(C(=O)[O-])oc1C ZINC000051361378 343255883 /nfs/dbraw/zinc/25/58/83/343255883.db2.gz NEZBNDYXFNQATB-UHFFFAOYSA-N -1 3 225.288 2.518 20 0 BFADHM C[C@H](N(C)Cc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000051330701 343256114 /nfs/dbraw/zinc/25/61/14/343256114.db2.gz QWAVIZZYLIRKRS-VIFPVBQESA-N -1 3 239.315 2.844 20 0 BFADHM CC[C@@]1(C)CCCN(c2ccncc2C(=O)[O-])C1 ZINC000584055855 343308235 /nfs/dbraw/zinc/30/82/35/343308235.db2.gz SRXATJJCKHBSDN-AWEZNQCLSA-N -1 3 248.326 2.796 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000036170140 343311496 /nfs/dbraw/zinc/31/14/96/343311496.db2.gz HRGMTFMHOAZCFD-LLVKDONJSA-N -1 3 233.311 2.654 20 0 BFADHM CC(C)C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000037265449 343342067 /nfs/dbraw/zinc/34/20/67/343342067.db2.gz VFQSSOHCMBBEOH-JTQLQIEISA-N -1 3 221.300 2.557 20 0 BFADHM Cc1cc[nH]c1C(=O)Nc1ccc(C)cc1[O-] ZINC000335726591 136347445 /nfs/dbraw/zinc/34/74/45/136347445.db2.gz UKYGDHCZZXBCCT-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2[C@H](C)C2(F)F)c([O-])c1 ZINC000335705289 136335887 /nfs/dbraw/zinc/33/58/87/136335887.db2.gz ZTDXZFWYILXUBN-OIBJUYFYSA-N -1 3 241.237 2.540 20 0 BFADHM Cc1ccc(NC(=O)CC[C@@H]2CCCO2)c([O-])c1 ZINC000047430103 343561635 /nfs/dbraw/zinc/56/16/35/343561635.db2.gz SSRQHHMDRFQKBM-NSHDSACASA-N -1 3 249.310 2.598 20 0 BFADHM O=C([N-]Cc1ccc(C(F)F)cc1)C(F)F ZINC000280220205 187342090 /nfs/dbraw/zinc/34/20/90/187342090.db2.gz LGVREBDYKGCFOG-UHFFFAOYSA-N -1 3 235.180 2.506 20 0 BFADHM C[C@@H]1CC(C)(C)CN1Cc1ccc(C(=O)[O-])o1 ZINC000570286508 323055283 /nfs/dbraw/zinc/05/52/83/323055283.db2.gz KQHGBBFPVILBBY-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM O=C([O-])c1cnccc1NC1CCCCC1 ZINC000088109607 343705689 /nfs/dbraw/zinc/70/56/89/343705689.db2.gz NHWPREUQMGPSKR-UHFFFAOYSA-N -1 3 220.272 2.524 20 0 BFADHM C/C(=C/c1ccc([O-])c(F)c1)c1cnccn1 ZINC000126529324 343712395 /nfs/dbraw/zinc/71/23/95/343712395.db2.gz YUWQADCTKOUJOH-TWGQIWQCSA-N -1 3 230.242 2.882 20 0 BFADHM CO[C@H](C)CN(C)Cc1cc([O-])ccc1Cl ZINC000625427355 343728082 /nfs/dbraw/zinc/72/80/82/343728082.db2.gz BBDUQCPGBYELFZ-SECBINFHSA-N -1 3 243.734 2.512 20 0 BFADHM C/C(=C\c1ccc(F)cc1)C(=O)[N-]OC(C)C ZINC000297327935 187352482 /nfs/dbraw/zinc/35/24/82/187352482.db2.gz WPQTXNKSQNJAHR-CSKARUKUSA-N -1 3 237.274 2.685 20 0 BFADHM CCC1CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000624442603 343879146 /nfs/dbraw/zinc/87/91/46/343879146.db2.gz LIWUVJPJQOVAPF-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC(C)(C)C1 ZINC000625533189 343919657 /nfs/dbraw/zinc/91/96/57/343919657.db2.gz YUGSZYVZYNBHPH-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)CC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000070185372 343948935 /nfs/dbraw/zinc/94/89/35/343948935.db2.gz UKBNQPFEXYWGTF-NSHDSACASA-N -1 3 235.327 2.947 20 0 BFADHM CCCCO[N-]C(=O)CCCc1ccccc1 ZINC000085262356 344203933 /nfs/dbraw/zinc/20/39/33/344203933.db2.gz DCOLMCWIRSPNTC-UHFFFAOYSA-N -1 3 235.327 2.857 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1c(C)cccc1[O-] ZINC000625958312 344597002 /nfs/dbraw/zinc/59/70/02/344597002.db2.gz XFULCDKAMICROP-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM CCC1(NC(=O)c2c(C)cccc2[O-])CCC1 ZINC000625980198 344646046 /nfs/dbraw/zinc/64/60/46/344646046.db2.gz IJRLCFHJIHZHRT-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000626065896 344709999 /nfs/dbraw/zinc/70/99/99/344709999.db2.gz QIAUWHRETUOSBI-RYUDHWBXSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1ncoc1C(=O)[N-]c1c(F)cccc1F ZINC000074686513 344753592 /nfs/dbraw/zinc/75/35/92/344753592.db2.gz QCPWJOFLMPLRLE-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1CC(C)(C)C1 ZINC000628153169 344843185 /nfs/dbraw/zinc/84/31/85/344843185.db2.gz DAIVWEUSNAZFNB-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([C@@H](C)SCCc2nnn[n-]2)c1 ZINC000603338478 349929510 /nfs/dbraw/zinc/92/95/10/349929510.db2.gz LDTHZZGLKGQDJQ-SNVBAGLBSA-N -1 3 248.355 2.545 20 0 BFADHM Cc1cccc([C@@H](C)SCCc2nn[n-]n2)c1 ZINC000603338478 349929512 /nfs/dbraw/zinc/92/95/12/349929512.db2.gz LDTHZZGLKGQDJQ-SNVBAGLBSA-N -1 3 248.355 2.545 20 0 BFADHM CC1CCN(Cc2csc(C(=O)[O-])c2)CC1 ZINC000211247508 345737472 /nfs/dbraw/zinc/73/74/72/345737472.db2.gz JLPRIQIAJYACJU-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM FC(F)(F)c1csc(=NC[C@H]2CC23CC3)[n-]1 ZINC000418993023 192095937 /nfs/dbraw/zinc/09/59/37/192095937.db2.gz OUULUTMAMUJWJJ-ZCFIWIBFSA-N -1 3 248.273 2.796 20 0 BFADHM Cc1cccc(-c2nc(CC3CC3)no2)c1[O-] ZINC000149309531 178995146 /nfs/dbraw/zinc/99/51/46/178995146.db2.gz ZMBQVYVRXBVAKN-UHFFFAOYSA-N -1 3 230.267 2.703 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H](C)C(C)C)c1[O-] ZINC000035238897 179005804 /nfs/dbraw/zinc/00/58/04/179005804.db2.gz GFHXWTMBJHMFBX-LLVKDONJSA-N -1 3 235.327 2.817 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1[O-] ZINC000336147348 179011455 /nfs/dbraw/zinc/01/14/55/179011455.db2.gz ZIKZMFHWKFCEHA-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)NCc2ccsc2)c1[O-] ZINC000057411728 179020105 /nfs/dbraw/zinc/02/01/05/179020105.db2.gz YJLJEOTVVGTMJJ-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM Cc1cnc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000006969179 346527760 /nfs/dbraw/zinc/52/77/60/346527760.db2.gz GUNBKXMIUCHAJN-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2O)c1 ZINC000198138130 346780238 /nfs/dbraw/zinc/78/02/38/346780238.db2.gz BHJVDACOJKQWFD-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)C1CC1 ZINC000183034651 179159850 /nfs/dbraw/zinc/15/98/50/179159850.db2.gz HZKMOPRHKWSMEW-VIFPVBQESA-N -1 3 219.284 2.685 20 0 BFADHM CCN(Cc1cc(C(=O)[O-])sc1C)C1CC1 ZINC000087794337 362787901 /nfs/dbraw/zinc/78/79/01/362787901.db2.gz UTMNLVHDNHEBAC-UHFFFAOYSA-N -1 3 239.340 2.739 20 0 BFADHM O=C([N-]c1nc2ccccc2s1)c1cocn1 ZINC000591109557 347616449 /nfs/dbraw/zinc/61/64/49/347616449.db2.gz PMCXWTGFFZTWRG-UHFFFAOYSA-N -1 3 245.263 2.537 20 0 BFADHM CC[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000048369398 323153119 /nfs/dbraw/zinc/15/31/19/323153119.db2.gz ADOWFROQGWOVPD-VIFPVBQESA-N -1 3 221.300 2.537 20 0 BFADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OC(C)C ZINC000295799785 179334668 /nfs/dbraw/zinc/33/46/68/179334668.db2.gz ZXJBLHRTFUZTHR-GFCCVEGCSA-N -1 3 235.327 2.945 20 0 BFADHM CS[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000597855372 348827256 /nfs/dbraw/zinc/82/72/56/348827256.db2.gz AKIBZMRBEZKPHL-LURJTMIESA-N -1 3 245.731 2.736 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421789657 192382001 /nfs/dbraw/zinc/38/20/01/192382001.db2.gz BLMJWKHQIWWNKQ-AEJSXWLSSA-N -1 3 249.285 2.906 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CC2)c1 ZINC000035207600 358455582 /nfs/dbraw/zinc/45/55/82/358455582.db2.gz SMEGTCACOZBDMN-SNVBAGLBSA-N -1 3 233.311 2.571 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@H]1CCC[C@H](C)C1 ZINC000605076631 350249289 /nfs/dbraw/zinc/24/92/89/350249289.db2.gz QCEBBLKXLRXBHV-IUCAKERBSA-N -1 3 241.360 2.674 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000335739210 538099032 /nfs/dbraw/zinc/09/90/32/538099032.db2.gz KWUPXKSFSMTPKP-NXEZZACHSA-N -1 3 249.310 2.776 20 0 BFADHM CC1CN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000335969854 538102050 /nfs/dbraw/zinc/10/20/50/538102050.db2.gz QXOUDNIQOSLGKY-UHFFFAOYSA-N -1 3 241.290 2.637 20 0 BFADHM Cc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1C ZINC000613362269 363138830 /nfs/dbraw/zinc/13/88/30/363138830.db2.gz MCRNRCVCALXVJI-UHFFFAOYSA-N -1 3 245.322 2.776 20 0 BFADHM CCN(Cc1c(F)ccc([O-])c1F)CC1CC1 ZINC000295340997 352408750 /nfs/dbraw/zinc/40/87/50/352408750.db2.gz MQTLDKYMPVQTFC-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM C[C@H](C(=O)Nc1cccc([O-])c1F)C(C)(F)F ZINC000334221072 352823538 /nfs/dbraw/zinc/82/35/38/352823538.db2.gz SMJAGSORURHDDE-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM O=C(c1ccccc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000334197847 352790006 /nfs/dbraw/zinc/79/00/06/352790006.db2.gz NYDKYBIFJFEBAA-GFCCVEGCSA-N -1 3 245.322 2.654 20 0 BFADHM C[C@H]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000334250228 352843553 /nfs/dbraw/zinc/84/35/53/352843553.db2.gz ZYCLCIVJPOEOFR-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000334250229 352843588 /nfs/dbraw/zinc/84/35/88/352843588.db2.gz ZYCLCIVJPOEOFR-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM CCc1cc(C(=O)NCC2(C)CCC2)ccc1[O-] ZINC000342867095 352882300 /nfs/dbraw/zinc/88/23/00/352882300.db2.gz OSJPOUCYPBHQHI-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM O=C([N-]c1cnoc1)c1cccc(F)c1Cl ZINC000608122287 353248807 /nfs/dbraw/zinc/24/88/07/353248807.db2.gz MVYMYNZURIADAP-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CC(C)(C)OCc1nc(-c2ccc([O-])cc2)no1 ZINC000158141635 188333868 /nfs/dbraw/zinc/33/38/68/188333868.db2.gz CQLPXDWYFWBZFQ-UHFFFAOYSA-N -1 3 248.282 2.757 20 0 BFADHM CC(C)[C@@H]1N(C(=O)c2cccc([O-])c2)CC1(C)C ZINC000293837293 188391440 /nfs/dbraw/zinc/39/14/40/188391440.db2.gz IKWUJRBKCBBPHU-ZDUSSCGKSA-N -1 3 247.338 2.899 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227015834 491053822 /nfs/dbraw/zinc/05/38/22/491053822.db2.gz LHWLXGHUTZHQLY-JTQLQIEISA-N -1 3 221.300 2.619 20 0 BFADHM CC[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000189857108 353682061 /nfs/dbraw/zinc/68/20/61/353682061.db2.gz IHDOMQUPWKISLX-QMMMGPOBSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@@H]1C[C@H]1c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000334534683 353914700 /nfs/dbraw/zinc/91/47/00/353914700.db2.gz VJUBEEANJJKQLU-VXNVDRBHSA-N -1 3 248.257 2.629 20 0 BFADHM CCc1noc(C)c1C(=O)Nc1ccccc1[O-] ZINC000334526760 353899616 /nfs/dbraw/zinc/89/96/16/353899616.db2.gz XEBGHEULBONUEQ-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])C1CCC1 ZINC000334551071 353990840 /nfs/dbraw/zinc/99/08/40/353990840.db2.gz XDBIXKHDCJLNIM-SECBINFHSA-N -1 3 219.284 2.767 20 0 BFADHM Cc1c[nH]cc1C(=O)Nc1ccc(C)cc1[O-] ZINC000334668954 354409319 /nfs/dbraw/zinc/40/93/19/354409319.db2.gz DGNGIHQRIYTOCC-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1C ZINC000334672000 354413940 /nfs/dbraw/zinc/41/39/40/354413940.db2.gz VIBSNPBNDCEKDJ-ZDUSSCGKSA-N -1 3 245.322 2.634 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H]2C2CC2)c([O-])c1C ZINC000334671991 354413964 /nfs/dbraw/zinc/41/39/64/354413964.db2.gz VIBSNPBNDCEKDJ-CYBMUJFWSA-N -1 3 245.322 2.634 20 0 BFADHM CCN(C(=O)c1ccc(C)cc1[O-])C1CCC1 ZINC000334677570 354421326 /nfs/dbraw/zinc/42/13/26/354421326.db2.gz CSBBBGQSWZIXAX-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000334683439 354429019 /nfs/dbraw/zinc/42/90/19/354429019.db2.gz UPZKSRCHYBIUQG-GHMZBOCLSA-N -1 3 249.310 2.536 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000334804751 354561271 /nfs/dbraw/zinc/56/12/71/354561271.db2.gz SVIGADJRZGGTKH-IONNQARKSA-N -1 3 241.237 2.540 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C(C)(C)C)C2)c1 ZINC000335096862 354636510 /nfs/dbraw/zinc/63/65/10/354636510.db2.gz XAWOPZYEIXTXNN-UHFFFAOYSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc(C(=O)N2CC3(C2)CCCC3)c([O-])c1 ZINC000335122748 354762183 /nfs/dbraw/zinc/76/21/83/354762183.db2.gz GZVCEDOKWZCYRH-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@@H]2C)c([O-])c1 ZINC000412757700 191310930 /nfs/dbraw/zinc/31/09/30/191310930.db2.gz BXUXMBDRBAYNDP-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@@H]2C)c1 ZINC000412761730 191311177 /nfs/dbraw/zinc/31/11/77/191311177.db2.gz IQYLNZBWCUTPCS-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM CCCCCC(=O)Nc1nc(C)ccc1[O-] ZINC000345925366 354809045 /nfs/dbraw/zinc/80/90/45/354809045.db2.gz JQOREYPSENUQAN-UHFFFAOYSA-N -1 3 222.288 2.614 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CCC2CCC2)n1 ZINC000345922710 354827169 /nfs/dbraw/zinc/82/71/69/354827169.db2.gz FWTLSLVYHASRNO-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@]12C[C@@H]1CCC2 ZINC000335168427 354929461 /nfs/dbraw/zinc/92/94/61/354929461.db2.gz DZQMDEKXYXYMEB-SDBXPKJASA-N -1 3 235.258 2.660 20 0 BFADHM Cc1ncsc1NC(=O)c1ccc(C)cc1[O-] ZINC000335740565 355390169 /nfs/dbraw/zinc/39/01/69/355390169.db2.gz JFBGRAZLQBBBLP-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000583569190 355632789 /nfs/dbraw/zinc/63/27/89/355632789.db2.gz OWZIVKRTGPPHQL-WDEREUQCSA-N -1 3 249.285 2.906 20 0 BFADHM CC[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC000617634249 356218404 /nfs/dbraw/zinc/21/84/04/356218404.db2.gz SBSQMVOHDFANMY-SNVBAGLBSA-N -1 3 221.300 2.558 20 0 BFADHM CC[C@@H](C)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000617639295 356245315 /nfs/dbraw/zinc/24/53/15/356245315.db2.gz BTHHCKUCFYRDOA-SNVBAGLBSA-N -1 3 235.327 2.867 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1 ZINC000336144055 134101453 /nfs/dbraw/zinc/10/14/53/134101453.db2.gz HAXIAMDTFCWAMH-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM O=C([N-]c1ccsc1Cl)c1ccon1 ZINC000336161743 134111508 /nfs/dbraw/zinc/11/15/08/134111508.db2.gz DZQAKBOIJQMPEL-UHFFFAOYSA-N -1 3 228.660 2.642 20 0 BFADHM Cc1cc(CN2[C@@H](C)CC[C@@H]2C)oc1C(=O)[O-] ZINC000581017256 356493346 /nfs/dbraw/zinc/49/33/46/356493346.db2.gz QKBIBQNMMOGAFC-UWVGGRQHSA-N -1 3 237.299 2.659 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000336186665 134121668 /nfs/dbraw/zinc/12/16/68/134121668.db2.gz PVWYHXYDFGUWRW-NXEZZACHSA-N -1 3 219.284 2.685 20 0 BFADHM CC(=O)c1[n-]c(=NC2CCCCC2)sc1C ZINC000450208644 202096681 /nfs/dbraw/zinc/09/66/81/202096681.db2.gz ONBSQXJVCZITGG-UHFFFAOYSA-N -1 3 238.356 2.821 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H]2CC=CCC2)sc1C ZINC000450343239 202135617 /nfs/dbraw/zinc/13/56/17/202135617.db2.gz WSLMWIUVVGHCCL-SNVBAGLBSA-N -1 3 236.340 2.597 20 0 BFADHM C[C@H](NCc1cc([O-])cc(F)c1)C(C)(F)F ZINC000389488373 356691720 /nfs/dbraw/zinc/69/17/20/356691720.db2.gz OTURKVRSLWORDI-ZETCQYMHSA-N -1 3 233.233 2.665 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1CCCCC1 ZINC000623351830 356779444 /nfs/dbraw/zinc/77/94/44/356779444.db2.gz FEKLZEOTJBZFDC-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc([O-])cc1F ZINC000450511825 202188856 /nfs/dbraw/zinc/18/88/56/202188856.db2.gz BTMONHWGAGMDMD-YWVKMMECSA-N -1 3 249.285 2.906 20 0 BFADHM CCC(CC)NC(=O)c1c(C)cccc1[O-] ZINC000623383159 356907449 /nfs/dbraw/zinc/90/74/49/356907449.db2.gz GSQZPUIEDCDRRW-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CCN(CCC1CC1)C(=O)c1c(C)cccc1[O-] ZINC000626457847 356982455 /nfs/dbraw/zinc/98/24/55/356982455.db2.gz DWIXBADODAGRPN-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC2(CC2)C1 ZINC000626494956 357099626 /nfs/dbraw/zinc/09/96/26/357099626.db2.gz DEQPNRZUIZHPEN-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1c(C)cccc1[O-] ZINC000626504328 357140033 /nfs/dbraw/zinc/14/00/33/357140033.db2.gz HOOZGTQANYVUDQ-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM COc1ccc(NC(=O)C(C)(C)C2CC2)c([O-])c1 ZINC000356825054 538817266 /nfs/dbraw/zinc/81/72/66/538817266.db2.gz CBZLGPOATJAWSM-UHFFFAOYSA-N -1 3 249.310 2.776 20 0 BFADHM Cc1cccc(C(=O)NCCC(C)(C)C)c1[O-] ZINC000131549575 325163771 /nfs/dbraw/zinc/16/37/71/325163771.db2.gz KPEOGNKATBBADU-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CCCCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000011886741 357456979 /nfs/dbraw/zinc/45/69/79/357456979.db2.gz WVABWARPJBTRBA-SECBINFHSA-N -1 3 225.288 2.771 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1C ZINC000011962756 357463610 /nfs/dbraw/zinc/46/36/10/357463610.db2.gz FOCZSSBYJIGNGT-SECBINFHSA-N -1 3 237.299 2.661 20 0 BFADHM [O-]c1ccc(-c2noc(CC3CCC3)n2)cc1 ZINC000231659078 357617345 /nfs/dbraw/zinc/61/73/45/357617345.db2.gz JVBKZKIIPQIGBG-UHFFFAOYSA-N -1 3 230.267 2.785 20 0 BFADHM CC[C@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000233987014 357765150 /nfs/dbraw/zinc/76/51/50/357765150.db2.gz ZVGILSIIGIDBCE-QMMMGPOBSA-N -1 3 241.718 2.822 20 0 BFADHM Cc1ccc(C(=O)NC(C)(C)C(C)C)c([O-])c1 ZINC000584425588 357916376 /nfs/dbraw/zinc/91/63/76/357916376.db2.gz DSZQXGGGCAZSJF-UHFFFAOYSA-N -1 3 235.327 2.865 20 0 BFADHM CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000036170024 358011905 /nfs/dbraw/zinc/01/19/05/358011905.db2.gz WRTYGGVXCBFDIL-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM Cc1cc(CN2CCCCCC2)oc1C(=O)[O-] ZINC000036812757 358052646 /nfs/dbraw/zinc/05/26/46/358052646.db2.gz PDWKANNQXSJJNR-UHFFFAOYSA-N -1 3 237.299 2.662 20 0 BFADHM CC[C@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000037023522 358064001 /nfs/dbraw/zinc/06/40/01/358064001.db2.gz DDVZKESBEMVCAK-JTQLQIEISA-N -1 3 221.300 2.571 20 0 BFADHM O=C([O-])c1ccc(CN2CCC[C@H]3CCC[C@H]32)o1 ZINC000228024712 358368187 /nfs/dbraw/zinc/36/81/87/358368187.db2.gz AGACRDUJRWZMKN-ZYHUDNBSSA-N -1 3 249.310 2.742 20 0 BFADHM O=C([O-])c1ccc(CN2CCC[C@@H]3CCC[C@H]32)o1 ZINC000228024694 358368252 /nfs/dbraw/zinc/36/82/52/358368252.db2.gz AGACRDUJRWZMKN-CMPLNLGQSA-N -1 3 249.310 2.742 20 0 BFADHM CCCc1ccc2nccc(NCC(=O)[O-])c2c1 ZINC000263515126 535426822 /nfs/dbraw/zinc/42/68/22/535426822.db2.gz OLJOVCIZBWIVGU-UHFFFAOYSA-N -1 3 244.294 2.684 20 0 BFADHM CC(C)(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000131379981 358672557 /nfs/dbraw/zinc/67/25/57/358672557.db2.gz HAGBBJOMDLQVPV-LLVKDONJSA-N -1 3 247.338 2.900 20 0 BFADHM Cc1n[nH]cc1[N-]c1nc2ccccc2o1 ZINC000049469813 358690034 /nfs/dbraw/zinc/69/00/34/358690034.db2.gz JRKXJFZSEGRIQQ-UHFFFAOYSA-N -1 3 214.228 2.603 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000177020975 134293921 /nfs/dbraw/zinc/29/39/21/134293921.db2.gz BJEHXUVMPRZEIG-WDEREUQCSA-N -1 3 233.311 2.571 20 0 BFADHM CC[C@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136046355 358861434 /nfs/dbraw/zinc/86/14/34/358861434.db2.gz KRXYEUGKEUXKTB-QMMMGPOBSA-N -1 3 241.718 2.503 20 0 BFADHM COc1ccc(NC(=O)[C@H]2CCC2(C)C)c([O-])c1 ZINC000613832799 363657436 /nfs/dbraw/zinc/65/74/36/363657436.db2.gz KZRMZEMPILROKE-SNVBAGLBSA-N -1 3 249.310 2.776 20 0 BFADHM Cc1ccc(-c2nc([C@H]3C[C@@H]3C)no2)c([O-])c1 ZINC000088055501 359933230 /nfs/dbraw/zinc/93/32/30/359933230.db2.gz ZODIXEHXPAVYHB-WPRPVWTQSA-N -1 3 230.267 2.874 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613027267 360293345 /nfs/dbraw/zinc/29/33/45/360293345.db2.gz KIUBQRLHUOTFJO-JMJZKYOTSA-N -1 3 249.285 2.906 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@H]1C ZINC000629099786 360877817 /nfs/dbraw/zinc/87/78/17/360877817.db2.gz HZOKBLHRTMPHMG-RKDXNWHRSA-N -1 3 241.360 2.674 20 0 BFADHM CCn1c(=O)[n-]nc1SCC1CC(C)(C)C1 ZINC000629100786 360878870 /nfs/dbraw/zinc/87/88/70/360878870.db2.gz PRUZICTUJPFRIO-UHFFFAOYSA-N -1 3 241.360 2.532 20 0 BFADHM CCCC[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380142 361190058 /nfs/dbraw/zinc/19/00/58/361190058.db2.gz OFLARGCBOQQQTM-VIFPVBQESA-N -1 3 246.314 2.723 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC2(C)C)c1 ZINC000379741330 361389115 /nfs/dbraw/zinc/38/91/15/361389115.db2.gz KWTMPVQCMWIHTA-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM CCCC[C@@H](CC)C(=O)Nc1ncccc1[O-] ZINC000180997459 366779778 /nfs/dbraw/zinc/77/97/78/366779778.db2.gz OIPSKEZYULRAHD-SNVBAGLBSA-N -1 3 236.315 2.942 20 0 BFADHM Cc1ccc(C(=O)NC(C)(C)C)c([O-])c1C ZINC000436753692 201336150 /nfs/dbraw/zinc/33/61/50/201336150.db2.gz FJIFHXMYBWMZSV-UHFFFAOYSA-N -1 3 221.300 2.537 20 0 BFADHM Cc1nc(NC(=O)c2ccc(C)cc2[O-])cs1 ZINC000436730229 201337124 /nfs/dbraw/zinc/33/71/24/201337124.db2.gz KFHHBXDFRKSEFG-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCC(CC)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436857631 201338634 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/nfs/dbraw/zinc/03/53/63/169035363.db2.gz DBIWGJDRWYAORD-SECBINFHSA-N -1 3 243.376 2.920 20 0 BFADHM CCCN(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000037097620 169046628 /nfs/dbraw/zinc/04/66/28/169046628.db2.gz AYZSFLARELJQRH-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CCCN(CC(=O)[O-])Cc1ccc(CC)s1 ZINC000038021793 169098811 /nfs/dbraw/zinc/09/88/11/169098811.db2.gz ZNTSFCKJTCVQJZ-UHFFFAOYSA-N -1 3 241.356 2.607 20 0 BFADHM [O-]c1ccc(-c2nc(-c3ccccn3)no2)cc1 ZINC000045894261 183264872 /nfs/dbraw/zinc/26/48/72/183264872.db2.gz GHDZPNROXGIPKB-UHFFFAOYSA-N -1 3 239.234 2.504 20 0 BFADHM [O-]c1ccc(-c2noc([C@@H]3CCSC3)n2)cc1 ZINC000070437128 183265690 /nfs/dbraw/zinc/26/56/90/183265690.db2.gz NOSVAHYWTZLBRT-SECBINFHSA-N -1 3 248.307 2.663 20 0 BFADHM CCCN(CCC)C(=O)c1ccccc1[O-] ZINC000011639286 169145215 /nfs/dbraw/zinc/14/52/15/169145215.db2.gz NFJNGMRMTDXTJN-UHFFFAOYSA-N -1 3 221.300 2.654 20 0 BFADHM O=c1[nH]c(CC2CCCC2)nc2ccc([O-])cc21 ZINC000333215351 183286259 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/nfs/dbraw/zinc/55/32/04/384553204.db2.gz VXMDHQKMJLBHSC-YMTOWFKASA-N -1 3 212.314 2.546 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CC23CCCC3)ccc1[O-] ZINC000335891718 384568906 /nfs/dbraw/zinc/56/89/06/384568906.db2.gz FEYUVZBLHRODJJ-ZDUSSCGKSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)[O-])s1 ZINC000309750192 384579611 /nfs/dbraw/zinc/57/96/11/384579611.db2.gz KINIHLDWKNIBDK-NXEZZACHSA-N -1 3 239.340 2.667 20 0 BFADHM CCC[C@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000359913101 384609460 /nfs/dbraw/zinc/60/94/60/384609460.db2.gz QIACIFWSUSCTHM-UWVGGRQHSA-N -1 3 219.284 2.767 20 0 BFADHM Cc1ccc(CNC(=O)c2ccccc2[O-])s1 ZINC000045934930 384664857 /nfs/dbraw/zinc/66/48/57/384664857.db2.gz MHEFRRKRLQBIQO-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1 ZINC000050566622 384634872 /nfs/dbraw/zinc/63/48/72/384634872.db2.gz QAZNGQCIJKSODA-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(NC(=O)C2[C@@H]3CCC[C@H]23)c([O-])c1 ZINC000093953088 384641691 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/nfs/dbraw/zinc/31/57/86/385315786.db2.gz YUYQATBDRCGHPQ-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM CC[C@H](SC)C(=O)Nc1cc(F)ccc1[O-] ZINC000153520856 385261812 /nfs/dbraw/zinc/26/18/12/385261812.db2.gz VZDCSKDMEIBYQI-JTQLQIEISA-N -1 3 243.303 2.611 20 0 BFADHM CO[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000155613518 385398741 /nfs/dbraw/zinc/39/87/41/385398741.db2.gz CDONUJSNALIWJB-NSHDSACASA-N -1 3 235.327 2.981 20 0 BFADHM CC/C=C(\C)C(=O)Nc1cc(F)ccc1[O-] ZINC000179648735 385480053 /nfs/dbraw/zinc/48/00/53/385480053.db2.gz PMSYYLPYAAQLNB-XBXARRHUSA-N -1 3 223.247 2.826 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1ccc(F)c(F)c1 ZINC000158186567 385553418 /nfs/dbraw/zinc/55/34/18/385553418.db2.gz QZXQKUARHPVAJD-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC[C@H](COC)NCc1cccc([O-])c1Cl ZINC000293513860 385627806 /nfs/dbraw/zinc/62/78/06/385627806.db2.gz IGFNTMOAQXSFGV-SNVBAGLBSA-N -1 3 243.734 2.560 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(OC(C)C)cc1 ZINC000182930935 385722688 /nfs/dbraw/zinc/72/26/88/385722688.db2.gz HALRRMBDLZHQKE-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CC[C@H]1C[C@@H](C(=O)Nc2ccccc2[O-])CCO1 ZINC000182935575 385722967 /nfs/dbraw/zinc/72/29/67/385722967.db2.gz AGUWJGDDYSCGOK-QWRGUYRKSA-N -1 3 249.310 2.536 20 0 BFADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000271210173 385806735 /nfs/dbraw/zinc/80/67/35/385806735.db2.gz LJXILSQQHDIHQJ-UHFFFAOYSA-N -1 3 233.311 2.634 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801833 385816176 /nfs/dbraw/zinc/81/61/76/385816176.db2.gz XJHSPSSLBYTOHD-MRVPVSSYSA-N -1 3 247.298 2.643 20 0 BFADHM O=C(/C=C/c1ccccc1)[N-]OC1CCCC1 ZINC000271626887 385841105 /nfs/dbraw/zinc/84/11/05/385841105.db2.gz AZOMYOUJJMSBQX-ZHACJKMWSA-N -1 3 231.295 2.690 20 0 BFADHM COC(=O)c1cnc(SCCC(C)(C)C)[n-]1 ZINC000284186636 385855699 /nfs/dbraw/zinc/85/56/99/385855699.db2.gz KIMZOEUPBMZCLN-UHFFFAOYSA-N -1 3 242.344 2.725 20 0 BFADHM CCOC[C@H](C)NCc1cccc([O-])c1Cl ZINC000328209043 385918672 /nfs/dbraw/zinc/91/86/72/385918672.db2.gz ICTXIZDQMLSLRH-VIFPVBQESA-N -1 3 243.734 2.560 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@]12C[C@@H]1CCC2 ZINC000335018550 385978343 /nfs/dbraw/zinc/97/83/43/385978343.db2.gz UOJNAZKVRDENDU-SDBXPKJASA-N -1 3 235.258 2.660 20 0 BFADHM C[C@@H](NCc1c(F)ccc([O-])c1F)C1CC1 ZINC000294975739 385932085 /nfs/dbraw/zinc/93/20/85/385932085.db2.gz GELJZXYVBGFQPA-SSDOTTSWSA-N -1 3 227.254 2.559 20 0 BFADHM CCC(CC)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000342200011 385956330 /nfs/dbraw/zinc/95/63/30/385956330.db2.gz AIVYUFBMIZDWSN-VIFPVBQESA-N -1 3 236.315 2.798 20 0 BFADHM Cc1ccc(C[N-]c2nnc(C(F)F)o2)s1 ZINC000189301632 385973175 /nfs/dbraw/zinc/97/31/75/385973175.db2.gz HHAHLBISSWCMIY-UHFFFAOYSA-N -1 3 245.254 2.989 20 0 BFADHM CC(C)c1ccc(-c2nc(N(C)C)no2)c([O-])c1 ZINC000273415028 385998385 /nfs/dbraw/zinc/99/83/85/385998385.db2.gz NGLKADNYEWKZBG-UHFFFAOYSA-N -1 3 247.298 2.632 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])cc1)[C@H]1CC1(C)C ZINC000414635045 386021285 /nfs/dbraw/zinc/02/12/85/386021285.db2.gz FIPMNUFVXUMCMC-LBPRGKRZSA-N -1 3 233.311 2.615 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc(C)c1[O-] ZINC000187433236 386157927 /nfs/dbraw/zinc/15/79/27/386157927.db2.gz VIOCUGHSNJDERW-ZWNOBZJWSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(NC([O-])=NOC(C)C)cc1C ZINC000296302693 386162609 /nfs/dbraw/zinc/16/26/09/386162609.db2.gz VXVWHVWGOQJOJE-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1C ZINC000296302693 386162617 /nfs/dbraw/zinc/16/26/17/386162617.db2.gz VXVWHVWGOQJOJE-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM CSc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296369488 386166191 /nfs/dbraw/zinc/16/61/91/386166191.db2.gz OILFMBUSOVPOSG-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM CSc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296369488 386166197 /nfs/dbraw/zinc/16/61/97/386166197.db2.gz OILFMBUSOVPOSG-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM CCc1ccccc1NC([O-])=NOC(C)C ZINC000296640146 386190908 /nfs/dbraw/zinc/19/09/08/386190908.db2.gz RWTCLQPTILGJFH-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM CCc1ccccc1NC(=O)[N-]OC(C)C ZINC000296640146 386190916 /nfs/dbraw/zinc/19/09/16/386190916.db2.gz RWTCLQPTILGJFH-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM CCC(C)(C)CNC(=O)c1ccccc1[O-] ZINC000189996926 386139612 /nfs/dbraw/zinc/13/96/12/386139612.db2.gz ARUGAGWSUOIUED-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM CCCc1cnc(NC([O-])=NOC(C)C)s1 ZINC000296847270 386207231 /nfs/dbraw/zinc/20/72/31/386207231.db2.gz JRAQKGFHSMBVMF-UHFFFAOYSA-N -1 3 243.332 2.557 20 0 BFADHM CCCc1cnc(NC(=O)[N-]OC(C)C)s1 ZINC000296847270 386207236 /nfs/dbraw/zinc/20/72/36/386207236.db2.gz JRAQKGFHSMBVMF-UHFFFAOYSA-N -1 3 243.332 2.557 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c([O-])c1 ZINC000424971184 386260506 /nfs/dbraw/zinc/26/05/06/386260506.db2.gz QKYTWNZNBHVFNN-QWHCGFSZSA-N -1 3 245.322 2.619 20 0 BFADHM CC/C=C/CNC(=O)c1ccc([O-])c(CC)c1 ZINC000296729598 386196991 /nfs/dbraw/zinc/19/69/91/386196991.db2.gz AUKKUNURRJLNSL-AATRIKPKSA-N -1 3 233.311 2.651 20 0 BFADHM CCc1ccc(-c2nc(C3CC3)no2)c([O-])c1 ZINC000276377661 386312590 /nfs/dbraw/zinc/31/25/90/386312590.db2.gz PXCWUXWHCQTJAH-UHFFFAOYSA-N -1 3 230.267 2.882 20 0 BFADHM CC(C)CC1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000180992243 386316078 /nfs/dbraw/zinc/31/60/78/386316078.db2.gz UQBFWCUQMNJMLP-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM CCc1ccc(C(=O)N2CCCC[C@@H]2C)c([O-])c1 ZINC000276068991 386268069 /nfs/dbraw/zinc/26/80/69/386268069.db2.gz FSDZFNODQBJSDV-NSHDSACASA-N -1 3 247.338 2.969 20 0 BFADHM CC(F)(F)C(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000289235209 386274137 /nfs/dbraw/zinc/27/41/37/386274137.db2.gz OGKKPAOKJPGHHN-UHFFFAOYSA-N -1 3 249.207 2.896 20 0 BFADHM CCCn1c(=O)[n-]nc1SCCCCCF ZINC000340638336 386487738 /nfs/dbraw/zinc/48/77/38/386487738.db2.gz AFBSAQBJIGVMGB-UHFFFAOYSA-N -1 3 247.339 2.626 20 0 BFADHM FC(F)(F)c1c[n-]c(=NCC2CCC2)s1 ZINC000336733365 386518086 /nfs/dbraw/zinc/51/80/86/386518086.db2.gz MGQMKCSOVCFOGU-UHFFFAOYSA-N -1 3 236.262 2.796 20 0 BFADHM CC(C)(C)CCCC(=O)Nc1ncccc1[O-] ZINC000103519594 386578595 /nfs/dbraw/zinc/57/85/95/386578595.db2.gz AFCCPUNDFDJDAL-UHFFFAOYSA-N -1 3 236.315 2.942 20 0 BFADHM CCc1cc(C(=O)N2CCCCC2)ccc1[O-] ZINC000291451000 386545215 /nfs/dbraw/zinc/54/52/15/386545215.db2.gz LWGZGMXMDMGPTQ-UHFFFAOYSA-N -1 3 233.311 2.581 20 0 BFADHM CCc1cc(C(=O)NC(CC)CC)ccc1[O-] ZINC000291465117 386549366 /nfs/dbraw/zinc/54/93/66/386549366.db2.gz OCYDIVZIIBVJHL-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000457228860 386549634 /nfs/dbraw/zinc/54/96/34/386549634.db2.gz HDQIKWHEWYJTBM-DZGCQCFKSA-N -1 3 247.338 2.947 20 0 BFADHM CCn1c(SCCCC(C)C)n[n-]c1=O ZINC000428070820 386762428 /nfs/dbraw/zinc/76/24/28/386762428.db2.gz CJHAZYOTBAVRNR-UHFFFAOYSA-N -1 3 229.349 2.532 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2CC(C)C)ccc1[O-] ZINC000395353098 386821379 /nfs/dbraw/zinc/82/13/79/386821379.db2.gz JKRKOFSLMNUZNH-CHWSQXEVSA-N -1 3 247.338 2.865 20 0 BFADHM O=C(/C=C/Sc1ccccc1)[N-]OCC1CC1 ZINC000293686463 386859953 /nfs/dbraw/zinc/85/99/53/386859953.db2.gz BSNRSZDIINRMQM-CMDGGOBGSA-N -1 3 249.335 2.750 20 0 BFADHM C[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000335772742 386919152 /nfs/dbraw/zinc/91/91/52/386919152.db2.gz KUTUEAXOUBXXMZ-BDAKNGLRSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])C(C)(F)F ZINC000293887104 386895616 /nfs/dbraw/zinc/89/56/16/386895616.db2.gz UUQJJDGJCGVFIS-ZETCQYMHSA-N -1 3 229.226 2.622 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)c([O-])c1C ZINC000334870602 386929955 /nfs/dbraw/zinc/92/99/55/386929955.db2.gz RKNBOKXEGUKMSO-LLVKDONJSA-N -1 3 247.338 2.880 20 0 BFADHM CC1(C)C[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000352492346 387251528 /nfs/dbraw/zinc/25/15/28/387251528.db2.gz XDCRDAISYBDWRH-QMMMGPOBSA-N -1 3 241.281 2.806 20 0 BFADHM Cc1ccc(C)c(CNCc2ncccc2[O-])c1 ZINC000355285340 387512713 /nfs/dbraw/zinc/51/27/13/387512713.db2.gz GYQFPENFFZHGHG-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM Cc1conc1[N-]C(=O)c1cccc(F)c1F ZINC000123794312 387595258 /nfs/dbraw/zinc/59/52/58/387595258.db2.gz VLTKPMYXDCDJOT-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM Cc1conc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000123919167 387599277 /nfs/dbraw/zinc/59/92/77/387599277.db2.gz JTWQKTPZQXBRCS-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1c([N-]c2nc3cc(C)ccc3o2)cnn1C ZINC000362562596 387629742 /nfs/dbraw/zinc/62/97/42/387629742.db2.gz ZYUAGLPNZOWYGF-UHFFFAOYSA-N -1 3 242.282 2.922 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000035238859 387560337 /nfs/dbraw/zinc/56/03/37/387560337.db2.gz SUXFJYDQBAPAFR-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c([O-])c1 ZINC000527657817 387663054 /nfs/dbraw/zinc/66/30/54/387663054.db2.gz CTLOEYYRTHXVJM-BIGNPOOSSA-N -1 3 245.322 2.931 20 0 BFADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000527709983 387670735 /nfs/dbraw/zinc/67/07/35/387670735.db2.gz HXDOLANVGQECGO-BPNCWPANSA-N -1 3 245.322 2.527 20 0 BFADHM CC1(C)CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000162798046 387775513 /nfs/dbraw/zinc/77/55/13/387775513.db2.gz WWIGLWZGQDEPRV-JTQLQIEISA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cocc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000528046698 387837806 /nfs/dbraw/zinc/83/78/06/387837806.db2.gz IURKIYNOEQXQTK-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])[C@H]1C1CC1 ZINC000528115059 387847731 /nfs/dbraw/zinc/84/77/31/387847731.db2.gz OXXZRYAYBOJAAR-CKLFPEKLSA-N -1 3 231.295 2.623 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2cscn2)no1 ZINC000158699913 387962260 /nfs/dbraw/zinc/96/22/60/387962260.db2.gz HZXMOAUBZAKOLL-UHFFFAOYSA-N -1 3 245.263 2.566 20 0 BFADHM C[C@H]1C[C@@H]1c1noc(-c2ccccc2[O-])n1 ZINC000083811025 388063818 /nfs/dbraw/zinc/06/38/18/388063818.db2.gz LJNIFAWIQQCUTD-CBAPKCEASA-N -1 3 216.240 2.566 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2=CC[C@H](C)CC2)n1 ZINC000456035615 388173723 /nfs/dbraw/zinc/17/37/23/388173723.db2.gz WIKCVHLPVGRZOL-VIFPVBQESA-N -1 3 246.310 2.781 20 0 BFADHM CC/C=C\CNC(=O)c1ccc([O-])c(CC)c1 ZINC000456085032 388175998 /nfs/dbraw/zinc/17/59/98/388175998.db2.gz AUKKUNURRJLNSL-WAYWQWQTSA-N -1 3 233.311 2.651 20 0 BFADHM CCc1cc(C(=O)NC[C@@H]2C[C@H]2CC)ccc1[O-] ZINC000456114991 388179330 /nfs/dbraw/zinc/17/93/30/388179330.db2.gz KCHWGZRBNOCWHB-MFKMUULPSA-N -1 3 247.338 2.731 20 0 BFADHM Cc1ccc(NC(=O)/C=C\c2ccc[nH]2)c([O-])c1 ZINC000491990783 388330777 /nfs/dbraw/zinc/33/07/77/388330777.db2.gz NRPIMXAZVJFTOV-ALCCZGGFSA-N -1 3 242.278 2.681 20 0 BFADHM O=C(/C=C\C1CC1)Nc1ccc(Cl)cc1[O-] ZINC000492303939 388340902 /nfs/dbraw/zinc/34/09/02/388340902.db2.gz KSPKBJPXDUUQRH-UTCJRWHESA-N -1 3 237.686 2.950 20 0 BFADHM C/C=C/C=C\C(=O)Nc1cccc([O-])c1F ZINC000492308859 388341077 /nfs/dbraw/zinc/34/10/77/388341077.db2.gz AMSFZAPNBSQDFQ-HOJFPOIOSA-N -1 3 221.231 2.602 20 0 BFADHM Cc1ccc(CN(C)CCC(=O)[O-])cc1Cl ZINC000234291388 388353983 /nfs/dbraw/zinc/35/39/83/388353983.db2.gz ZPSNSHHPKBBGOS-UHFFFAOYSA-N -1 3 241.718 2.555 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000646488480 388365998 /nfs/dbraw/zinc/36/59/98/388365998.db2.gz ZUDKPKWKHPTKNU-BQBZGAKWSA-N -1 3 225.675 2.640 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC3(CCC3)C2)c1 ZINC000163120843 388371038 /nfs/dbraw/zinc/37/10/38/388371038.db2.gz CXKMQORBPREGOJ-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235564863 388371702 /nfs/dbraw/zinc/37/17/02/388371702.db2.gz APAHXCVCJGHTKG-VIFPVBQESA-N -1 3 237.274 2.508 20 0 BFADHM Cc1ccc(NC(=O)/C=C\C2CC2)c([O-])c1 ZINC000492250129 388339411 /nfs/dbraw/zinc/33/94/11/388339411.db2.gz RXLSVQQINRKAFZ-ALCCZGGFSA-N -1 3 217.268 2.605 20 0 BFADHM C[C@@]1(NC(=O)c2cccc([O-])c2)CC=CCC1 ZINC000335144317 388449301 /nfs/dbraw/zinc/44/93/01/388449301.db2.gz NUIJKCSPNRIJPX-CQSZACIVSA-N -1 3 231.295 2.621 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC=CCC1 ZINC000649233945 388465028 /nfs/dbraw/zinc/46/50/28/388465028.db2.gz LKMYFGWNUGYHME-NSHDSACASA-N -1 3 247.342 2.558 20 0 BFADHM CC1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000070261425 388434820 /nfs/dbraw/zinc/43/48/20/388434820.db2.gz LSKOJUFNRHKCGR-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM C/C=C/C=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000006454139 388519602 /nfs/dbraw/zinc/51/96/02/388519602.db2.gz GQMFZUMPOKOUDR-VNKDHWASSA-N -1 3 217.268 2.771 20 0 BFADHM Cc1cncc(CNCc2cc([O-])cc(F)c2)c1 ZINC000185611140 388589520 /nfs/dbraw/zinc/58/95/20/388589520.db2.gz MNFRRMQCDCKZCO-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C(C)C)C2)ccc1[O-] ZINC000227038925 388737530 /nfs/dbraw/zinc/73/75/30/388737530.db2.gz XQIKUKPCANGEKA-CYBMUJFWSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1occc1C(=O)Nc1cccc([O-])c1F ZINC000128294284 388745612 /nfs/dbraw/zinc/74/56/12/388745612.db2.gz ZDHMMNXFPQMJJS-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C)[C@H](C)C2)n1 ZINC000248778989 388693172 /nfs/dbraw/zinc/69/31/72/388693172.db2.gz USPIBKZPCLMBQK-FOGDFJRCSA-N -1 3 249.358 2.530 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226716510 388727877 /nfs/dbraw/zinc/72/78/77/388727877.db2.gz KNSNAFNFLJQVQJ-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM C[C@@H](NCc1cc([O-])cc(F)c1)C(F)(F)F ZINC000288567096 388803515 /nfs/dbraw/zinc/80/35/15/388803515.db2.gz ZFISWNYOIVPWOF-ZCFIWIBFSA-N -1 3 237.196 2.572 20 0 BFADHM CSCCCC(=O)Nc1cccc([O-])c1F ZINC000128423059 388758195 /nfs/dbraw/zinc/75/81/95/388758195.db2.gz WDOMPJADIUTFOX-UHFFFAOYSA-N -1 3 243.303 2.613 20 0 BFADHM O=C([O-])CCCCN1CCC[C@H]1c1ccco1 ZINC000564218093 388758525 /nfs/dbraw/zinc/75/85/25/388758525.db2.gz OYCXPCGPNOPWFT-NSHDSACASA-N -1 3 237.299 2.671 20 0 BFADHM Cc1cccc(C(=O)NCC2(C(C)C)CC2)c1[O-] ZINC000227816414 388759425 /nfs/dbraw/zinc/75/94/25/388759425.db2.gz AQGSCKYEBXZSLX-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CSc1ccccc1[N-]C(=O)c1ccon1 ZINC000128529577 388768082 /nfs/dbraw/zinc/76/80/82/388768082.db2.gz RVOZOKFDJUPKDD-UHFFFAOYSA-N -1 3 234.280 2.649 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@@H]2CC=CCC2)c1 ZINC000522977931 388784338 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226042637 /nfs/dbraw/zinc/04/26/37/226042637.db2.gz YIGPNZJVICKBLS-MDZDMXLPSA-N -1 3 249.310 2.982 20 0 BFADHM O=C(/C=C\Sc1ccccc1)[N-]OC1CCC1 ZINC000492989312 226098436 /nfs/dbraw/zinc/09/84/36/226098436.db2.gz OSUPQYLDNAAKND-KTKRTIGZSA-N -1 3 249.335 2.893 20 0 BFADHM Cc1ccccc1/C=C\C(=O)[N-]OC1CCC1 ZINC000493068937 226117398 /nfs/dbraw/zinc/11/73/98/226117398.db2.gz ZQBFCAVWPCKCKH-KTKRTIGZSA-N -1 3 231.295 2.609 20 0 BFADHM O=C(/C=C\c1ccccc1)[N-]OC/C=C/Cl ZINC000493238234 226162920 /nfs/dbraw/zinc/16/29/20/226162920.db2.gz KCJUDRPKEFQEKV-TZRLODCYSA-N -1 3 237.686 2.500 20 0 BFADHM O=C(/C=C/c1ccccc1)[N-]OC/C=C\Cl ZINC000493238232 226163267 /nfs/dbraw/zinc/16/32/67/226163267.db2.gz KCJUDRPKEFQEKV-KCKXTUGSSA-N -1 3 237.686 2.500 20 0 BFADHM O=C(/C=C\c1ccsc1)[N-]OC/C=C\Cl ZINC000493500706 226234210 /nfs/dbraw/zinc/23/42/10/226234210.db2.gz SYPNDJOIBHBWRF-QQULKREJSA-N -1 3 243.715 2.562 20 0 BFADHM O=C([O-])[C@@H]1CN(C2CCCC2)Cc2ccccc21 ZINC000087612219 487670438 /nfs/dbraw/zinc/67/04/38/487670438.db2.gz HXIYTOFZNDDIFW-CQSZACIVSA-N -1 3 245.322 2.613 20 0 BFADHM C[C@@H]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000195621955 229168209 /nfs/dbraw/zinc/16/82/09/229168209.db2.gz MJPPOIUAKCPTAP-VXGBXAGGSA-N -1 3 247.338 2.948 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000399514757 262837379 /nfs/dbraw/zinc/83/73/79/262837379.db2.gz APEUZVAMYYOHSQ-QJPTWQEYSA-N -1 3 247.338 2.817 20 0 BFADHM CCCCCC(C)(C)C(=O)[N-]OCC(F)F ZINC000759332363 585366828 /nfs/dbraw/zinc/36/68/28/585366828.db2.gz ZRBZLKGCKGVJAH-UHFFFAOYSA-N -1 3 237.290 2.906 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000672138479 487821472 /nfs/dbraw/zinc/82/14/72/487821472.db2.gz VPDKSPNOVXJXCS-WCQYABFASA-N -1 3 245.322 2.579 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)C(C)(CC)CC ZINC000816979291 586777392 /nfs/dbraw/zinc/77/73/92/586777392.db2.gz LSHVWBASBXCRKF-SNVBAGLBSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC1CC(F)(F)C1 ZINC000832732186 587680603 /nfs/dbraw/zinc/68/06/03/587680603.db2.gz BRVNOTOJFJKYAT-MRVPVSSYSA-N -1 3 235.274 2.516 20 0 BFADHM Cc1ccc2oc([N-]c3c[nH]cn3)nc2c1 ZINC000558608284 322952498 /nfs/dbraw/zinc/95/24/98/322952498.db2.gz MCTWKEIPQHJDCF-UHFFFAOYSA-N -1 3 214.228 2.603 20 0 BFADHM C[C@H](CC(=O)Nc1ccccc1[O-])[C@@H]1CCCO1 ZINC000666920951 487906447 /nfs/dbraw/zinc/90/64/47/487906447.db2.gz IUJMWMNPGHNUIS-MFKMUULPSA-N -1 3 249.310 2.536 20 0 BFADHM C[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000083698858 487929807 /nfs/dbraw/zinc/92/98/07/487929807.db2.gz UOVWZYBXKWYLAI-ZCFIWIBFSA-N -1 3 248.109 2.556 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2CC23CCC3)c([O-])c1 ZINC000682364417 487940256 /nfs/dbraw/zinc/94/02/56/487940256.db2.gz UPFOMXVKHAPECF-JTQLQIEISA-N -1 3 247.294 2.530 20 0 BFADHM CCc1cc(C(=O)NCC2CCCC2)ccc1[O-] ZINC000561137873 322995797 /nfs/dbraw/zinc/99/57/97/322995797.db2.gz PXELRUZPZLUBEM-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM COc1ccc(NC(=O)/C=C/C(C)(C)C)c([O-])c1 ZINC000135457548 323029200 /nfs/dbraw/zinc/02/92/00/323029200.db2.gz GFTFUGNFVDULTA-BQYQJAHWSA-N -1 3 249.310 2.942 20 0 BFADHM CC(=O)c1cccc(NC(=O)[C@H](C)C2CC2)c1[O-] ZINC000570880960 323073382 /nfs/dbraw/zinc/07/33/82/323073382.db2.gz NCLMHGKDOYHRRB-MRVPVSSYSA-N -1 3 247.294 2.579 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC[C@@H](F)C2)c1F ZINC000571453301 323145236 /nfs/dbraw/zinc/14/52/36/323145236.db2.gz PYQBMYNASBIWOD-MRVPVSSYSA-N -1 3 245.244 2.604 20 0 BFADHM CC(C)c1ccc(C(=O)NC[C@H]2C[C@H]2C)c([O-])c1 ZINC000049249625 323159267 /nfs/dbraw/zinc/15/92/67/323159267.db2.gz AMENPVZUSSSSQT-ZYHUDNBSSA-N -1 3 247.338 2.901 20 0 BFADHM CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H]2C)c([O-])c1 ZINC000049249627 323159280 /nfs/dbraw/zinc/15/92/80/323159280.db2.gz AMENPVZUSSSSQT-CMPLNLGQSA-N -1 3 247.338 2.901 20 0 BFADHM CCC[C@@](C)(NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417572149 323176956 /nfs/dbraw/zinc/17/69/56/323176956.db2.gz GIZHCZGXSWEMQJ-LLVKDONJSA-N -1 3 245.706 2.666 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000399292807 323203196 /nfs/dbraw/zinc/20/31/96/323203196.db2.gz IHMVDDTZZRGMBU-OAHLLOKOSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000399509511 323396153 /nfs/dbraw/zinc/39/61/53/323396153.db2.gz GDHBDEAYMRIJPW-KOLCDFICSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C)c([O-])c1 ZINC000071209720 323891313 /nfs/dbraw/zinc/89/13/13/323891313.db2.gz OYXKITICHUDCCO-PWSUYJOCSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CSC(C)C ZINC000537613130 324084107 /nfs/dbraw/zinc/08/41/07/324084107.db2.gz YEPUOAPGAYVHNT-UHFFFAOYSA-N -1 3 239.340 2.781 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC2(C3CC3)CC2)c1 ZINC000537682857 324095885 /nfs/dbraw/zinc/09/58/85/324095885.db2.gz WYDOIGJIUIPBNX-UHFFFAOYSA-N -1 3 245.322 2.627 20 0 BFADHM CS[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000162854641 324127084 /nfs/dbraw/zinc/12/70/84/324127084.db2.gz LCVISVKJTQICQK-VIFPVBQESA-N -1 3 239.340 2.781 20 0 BFADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccco1 ZINC000528966481 324225838 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/nfs/dbraw/zinc/02/17/70/488021770.db2.gz CNMDUZPOQDYRCK-WMZJFQQLSA-N -1 3 249.285 2.670 20 0 BFADHM CCc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1 ZINC000682516198 488090442 /nfs/dbraw/zinc/09/04/42/488090442.db2.gz GUAMTHJUVPBSAQ-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@H]1CCC(C)(C)N1C(=O)c1ccccc1[O-] ZINC000662046130 488120829 /nfs/dbraw/zinc/12/08/29/488120829.db2.gz IQWAESRNVLXIBU-JTQLQIEISA-N -1 3 233.311 2.795 20 0 BFADHM C[C@@H]1CCC(C)(C)N1C(=O)c1ccccc1[O-] ZINC000662046131 488121081 /nfs/dbraw/zinc/12/10/81/488121081.db2.gz IQWAESRNVLXIBU-SNVBAGLBSA-N -1 3 233.311 2.795 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC12CCC2 ZINC000677801378 488124462 /nfs/dbraw/zinc/12/44/62/488124462.db2.gz MESHOUGLWLAJFC-MRVPVSSYSA-N -1 3 235.258 2.660 20 0 BFADHM CC[C@@]1(C)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000399462830 487485886 /nfs/dbraw/zinc/48/58/86/487485886.db2.gz MFSFKVTZNCCSJS-ZDUSSCGKSA-N -1 3 237.299 2.600 20 0 BFADHM O=C([N-]c1ccc(Cl)cc1F)c1cnco1 ZINC000677502509 488053887 /nfs/dbraw/zinc/05/38/87/488053887.db2.gz OKMCGYAUGNEHPG-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM O=c1cc(C=Cc2nccs2)nc(C2CC2)[n-]1 ZINC000666087507 488148016 /nfs/dbraw/zinc/14/80/16/488148016.db2.gz XQDWDJYBGAJNJB-ARJAWSKDSA-N -1 3 245.307 2.687 20 0 BFADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000167559775 488190803 /nfs/dbraw/zinc/19/08/03/488190803.db2.gz PFPKEBFTHMHILN-VMPITWQZSA-N -1 3 242.278 2.670 20 0 BFADHM Cc1noc([N-]Cc2nccc3ccccc32)n1 ZINC000679117359 488310377 /nfs/dbraw/zinc/31/03/77/488310377.db2.gz FOSXQGXXIFKXIK-UHFFFAOYSA-N -1 3 240.266 2.538 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H]2C2CC2)ccc1[O-] ZINC000679409154 488351490 /nfs/dbraw/zinc/35/14/90/488351490.db2.gz LCWIYGLUQVAYHC-ZDUSSCGKSA-N -1 3 245.322 2.715 20 0 BFADHM CCc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000297565459 490317667 /nfs/dbraw/zinc/31/76/67/490317667.db2.gz WJLFTZNPCHDTTG-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM CCc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000297565459 490317671 /nfs/dbraw/zinc/31/76/71/490317671.db2.gz WJLFTZNPCHDTTG-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM O=C([O-])c1ccc2c(c1)CN(CCC1CC1)C2 ZINC000131278772 490627130 /nfs/dbraw/zinc/62/71/30/490627130.db2.gz DMPQRNVPQIVUGW-UHFFFAOYSA-N -1 3 231.295 2.501 20 0 BFADHM C[C@H]1CCCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000652442154 491085136 /nfs/dbraw/zinc/08/51/36/491085136.db2.gz NOKJWXKYYSRSMB-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\Sc1ccccc1 ZINC000493065231 528043604 /nfs/dbraw/zinc/04/36/04/528043604.db2.gz PODZZTPFOPMUSM-HJWRWDBZSA-N -1 3 237.324 2.749 20 0 BFADHM CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063790 534932296 /nfs/dbraw/zinc/93/22/96/534932296.db2.gz ALWKDNUERJEBOQ-UHFFFAOYSA-N -1 3 233.311 2.862 20 0 BFADHM CC1(CC(=O)Nc2ccccc2[O-])CC1 ZINC000335684875 535112440 /nfs/dbraw/zinc/11/24/40/535112440.db2.gz HCTNLICSGGDFFN-UHFFFAOYSA-N -1 3 205.257 2.521 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000164411140 535479595 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584606772 /nfs/dbraw/zinc/60/67/72/584606772.db2.gz MMLLJHRFZNBYSC-VOTSOKGWSA-N -1 3 247.294 2.529 20 0 BFADHM CN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CCCC1 ZINC000902508754 584622502 /nfs/dbraw/zinc/62/25/02/584622502.db2.gz RQPRMOJJVYVWPH-HJWRWDBZSA-N -1 3 249.310 2.752 20 0 BFADHM C[C@H](C1CC1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902555204 584634057 /nfs/dbraw/zinc/63/40/57/584634057.db2.gz ZKSYNDRAORIXRN-QROSGCPLSA-N -1 3 249.310 2.608 20 0 BFADHM C[C@@H](C1CC1)N(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902555199 584634133 /nfs/dbraw/zinc/63/41/33/584634133.db2.gz ZKSYNDRAORIXRN-DMEOUFDRSA-N -1 3 249.310 2.608 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CCC[C@H](F)C2)c1 ZINC000902992068 584710224 /nfs/dbraw/zinc/71/02/24/584710224.db2.gz GLWWMEIXMUUGCH-JTQLQIEISA-N -1 3 243.709 2.980 20 0 BFADHM C[C@@H](NC/C=C\Cl)c1c([O-])cccc1F ZINC000903444611 584769337 /nfs/dbraw/zinc/76/93/37/584769337.db2.gz PPUDFBKXJNBQAT-WAXIIBMWSA-N -1 3 229.682 2.934 20 0 BFADHM C[C@@H](NC/C=C/Cl)c1cccc([O-])c1F ZINC000903445756 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ZINC000129411302 591293206 /nfs/dbraw/zinc/29/32/06/591293206.db2.gz MTYHQSOOUYJKBF-VOTSOKGWSA-N -1 3 247.225 2.776 20 0 BFADHM Cc1nnc([N-][C@H]2c3ccccc3CC[C@@H]2F)o1 ZINC000882992503 591497738 /nfs/dbraw/zinc/49/77/38/591497738.db2.gz XJVJYQCWPAVYME-RYUDHWBXSA-N -1 3 247.273 2.816 20 0 BFADHM Cc1csc(NC(=O)c2cc3occc3[n-]2)n1 ZINC000131277637 591581791 /nfs/dbraw/zinc/58/17/91/591581791.db2.gz OGUBBFHLOOAQMV-UHFFFAOYSA-N -1 3 247.279 2.778 20 0 BFADHM CC1(C)CC[C@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000131293250 591585603 /nfs/dbraw/zinc/58/56/03/591585603.db2.gz GJAFMKXSDQZNIG-VIFPVBQESA-N -1 3 237.299 2.646 20 0 BFADHM [O-]c1ccc(Cl)c(CNCC2(F)CC2)c1 ZINC000883324695 591616535 /nfs/dbraw/zinc/61/65/35/591616535.db2.gz ALPPVHWSWBRKBB-UHFFFAOYSA-N -1 3 229.682 2.637 20 0 BFADHM O=C(CC1CCSCC1)[N-]OC1CCCC1 ZINC000135139709 591991650 /nfs/dbraw/zinc/99/16/50/591991650.db2.gz UOSLMLYFBXBJSJ-UHFFFAOYSA-N -1 3 243.372 2.510 20 0 BFADHM CC(C)c1noc([N-]Cc2cc(C3CC3)no2)n1 ZINC000884638149 591999256 /nfs/dbraw/zinc/99/92/56/591999256.db2.gz NTXZODJUKKJTFU-UHFFFAOYSA-N -1 3 248.286 2.671 20 0 BFADHM CC(C)[C@@H]([N-]C(=O)C(F)F)c1ccc(F)cc1 ZINC000219778852 592244398 /nfs/dbraw/zinc/24/43/98/592244398.db2.gz MQDUCGUXWYYYRZ-SNVBAGLBSA-N -1 3 245.244 2.904 20 0 BFADHM CCCCC1([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000889530061 592618287 /nfs/dbraw/zinc/61/82/87/592618287.db2.gz DWUDWEIGBVIHQP-UHFFFAOYSA-N -1 3 241.228 2.726 20 0 BFADHM CCCSCc1cccc(-c2nnn[n-]2)c1 ZINC000095290609 598312635 /nfs/dbraw/zinc/31/26/35/598312635.db2.gz NRLKFZOGJCIRBS-UHFFFAOYSA-N -1 3 234.328 2.510 20 0 BFADHM CCCSCc1cccc(-c2nn[n-]n2)c1 ZINC000095290609 598312636 /nfs/dbraw/zinc/31/26/36/598312636.db2.gz NRLKFZOGJCIRBS-UHFFFAOYSA-N -1 3 234.328 2.510 20 0 BFADHM CCc1ccc(CN(CC(=O)[O-])C(C)C)s1 ZINC000037994833 604556101 /nfs/dbraw/zinc/55/61/01/604556101.db2.gz XMLCLYWFSOMAQO-UHFFFAOYSA-N -1 3 241.356 2.606 20 0 BFADHM C/C=C(\C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000176312635 631660240 /nfs/dbraw/zinc/66/02/40/631660240.db2.gz 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233.311 2.557 20 0 BFADHM CCCC1(C(=O)[N-]OCc2ccccn2)CCC1 ZINC000909540160 636234574 /nfs/dbraw/zinc/23/45/74/636234574.db2.gz TZUQXRYHVHMSGL-UHFFFAOYSA-N -1 3 248.326 2.600 20 0 BFADHM CC1(CC(=O)[N-]OCc2ccccn2)CCCC1 ZINC000909541815 636236526 /nfs/dbraw/zinc/23/65/26/636236526.db2.gz OYFASAFIWMMQBY-UHFFFAOYSA-N -1 3 248.326 2.600 20 0 BFADHM CC(C)C[C@H](C)O[N-]C(=O)CC(C)(C)C ZINC000842062151 637066720 /nfs/dbraw/zinc/06/67/20/637066720.db2.gz ZCIHMPFMRPJIRU-JTQLQIEISA-N -1 3 215.337 2.905 20 0 BFADHM O=C([O-])[C@@H](N[C@@H]1C=CCCC1)c1ccccc1F ZINC000905377115 637794020 /nfs/dbraw/zinc/79/40/20/637794020.db2.gz RXABHITURRXBDX-MFKMUULPSA-N -1 3 249.285 2.650 20 0 BFADHM CCCCC1(NCc2cc(C(=O)[O-])co2)CC1 ZINC000905788555 637939611 /nfs/dbraw/zinc/93/96/11/637939611.db2.gz COGCFHVMUSMAND-UHFFFAOYSA-N -1 3 237.299 2.790 20 0 BFADHM O=C([N-]OC1CCCC1)C1(C2CC2)CCC1 ZINC000907222114 638326151 /nfs/dbraw/zinc/32/61/51/638326151.db2.gz VYTNZNFHBZYVGP-UHFFFAOYSA-N -1 3 223.316 2.557 20 0 BFADHM 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2.681 20 0 BFADHM CCS[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590851153 983001428 /nfs/dbraw/zinc/00/14/28/983001428.db2.gz HYBOSOGBYPMXIC-MRVPVSSYSA-N -1 3 234.328 2.681 20 0 BFADHM CC(C)NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001202527266 983867396 /nfs/dbraw/zinc/86/73/96/983867396.db2.gz MLJZJYVMUXXQCS-UHFFFAOYSA-N -1 3 228.679 2.576 20 0 BFADHM Cc1cnc(Nc2cc(F)c([O-])cc2F)o1 ZINC001215569749 970785053 /nfs/dbraw/zinc/78/50/53/970785053.db2.gz GPNMZNMTHVOHIA-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM Cc1cnccc1-c1cccc([O-])c1F ZINC001243545196 970795619 /nfs/dbraw/zinc/79/56/19/970795619.db2.gz XGDALJFUWZYRCI-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM CCc1ncc(-c2cccc([O-])c2F)cn1 ZINC001243547800 970800279 /nfs/dbraw/zinc/80/02/79/970800279.db2.gz WOJUIEVXHWMCNZ-UHFFFAOYSA-N -1 3 218.231 2.551 20 0 BFADHM CC[C@@H](CNc1cc(=O)[n-]cn1)CC(F)(F)F ZINC000402723035 970837146 /nfs/dbraw/zinc/83/71/46/970837146.db2.gz YNLFSFVOWSCSGR-SSDOTTSWSA-N -1 3 249.236 2.573 20 0 BFADHM CCOc1cc(C)ccc1Nc1cnc[n-]c1=O 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BFADHM Cc1ccc(Nc2cnc(C)[n-]c2=O)c(F)c1 ZINC001175323622 977373619 /nfs/dbraw/zinc/37/36/19/977373619.db2.gz CSSAQICHMHNNAM-UHFFFAOYSA-N -1 3 233.246 2.682 20 0 BFADHM COc1ncc([N-]c2nc(C)cs2)s1 ZINC001175387082 977405076 /nfs/dbraw/zinc/40/50/76/977405076.db2.gz LODQGBFSNMMGFV-UHFFFAOYSA-N -1 3 227.314 2.660 20 0 BFADHM c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175427948 977425607 /nfs/dbraw/zinc/42/56/07/977425607.db2.gz BUYDVXWAMZNRIH-UHFFFAOYSA-N -1 3 237.266 2.610 20 0 BFADHM [O-]c1cc(Cl)cnc1Nc1ccc(F)cn1 ZINC001175847176 977762417 /nfs/dbraw/zinc/76/24/17/977762417.db2.gz GLBYZSBKDVIMED-UHFFFAOYSA-N -1 3 239.637 2.718 20 0 BFADHM Cc1cc(Nc2ncc(F)cc2[O-])cc(C)c1N ZINC001175934530 977818961 /nfs/dbraw/zinc/81/89/61/977818961.db2.gz WQFZRJGMFRSZPD-UHFFFAOYSA-N -1 3 247.273 2.869 20 0 BFADHM O=C1CCc2cc(Nc3cncc([O-])c3)ccc21 ZINC001176232385 978002964 /nfs/dbraw/zinc/00/29/64/978002964.db2.gz GVEHIUMHONBZGV-UHFFFAOYSA-N -1 3 240.262 2.660 20 0 BFADHM Cc1ncc([N-]c2nnc(C(C)(C)C)s2)cn1 ZINC001176392926 978046472 /nfs/dbraw/zinc/04/64/72/978046472.db2.gz FKDWXWSQMTVIPI-UHFFFAOYSA-N -1 3 249.343 2.678 20 0 BFADHM Cc1ncc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001176397794 978075871 /nfs/dbraw/zinc/07/58/71/978075871.db2.gz GVGOEAIOFPRLDK-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM CCc1nc([C@H](C)[N-]c2nc(C)no2)cs1 ZINC001337034362 978135918 /nfs/dbraw/zinc/13/59/18/978135918.db2.gz QIKHZFOUEPNQBE-LURJTMIESA-N -1 3 238.316 2.570 20 0 BFADHM Cc1c[nH]c([N-]c2nc(C3CCCC3)ns2)n1 ZINC001337081151 978158263 /nfs/dbraw/zinc/15/82/63/978158263.db2.gz UXKDZDJMKQZFKC-UHFFFAOYSA-N -1 3 249.343 2.971 20 0 BFADHM C[C@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232968010 978366132 /nfs/dbraw/zinc/36/61/32/978366132.db2.gz DWRTYNGUZCEGKQ-VIFPVBQESA-N -1 3 241.281 2.902 20 0 BFADHM C[C@H]1CCCN(Cc2cc(Cl)ncc2[O-])C1 ZINC001233033166 978421453 /nfs/dbraw/zinc/42/14/53/978421453.db2.gz IVGBGSKHXZTGJI-VIFPVBQESA-N -1 3 240.734 2.673 20 0 BFADHM [O-]c1cccc(CN2CCCC[C@@H](F)C2)c1F ZINC001233050563 978442287 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ZINC001193911544 981512427 /nfs/dbraw/zinc/51/24/27/981512427.db2.gz JGHMJRAEIZEPRA-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM COc1cnc(F)c(-c2cc(F)ccc2[O-])c1 ZINC001240696150 981606418 /nfs/dbraw/zinc/60/64/18/981606418.db2.gz DDBXLSCSBSOJMT-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1ccc(F)cc1-c1cc(F)cnc1F ZINC001240696464 981607146 /nfs/dbraw/zinc/60/71/46/981607146.db2.gz FNQPZPMNAIVMEG-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM CC1=CC(=O)CN=C1[N-]C(=O)OCC(C)(C)C ZINC001194354145 981727080 /nfs/dbraw/zinc/72/70/80/981727080.db2.gz UQQUDCBORSAVMI-UHFFFAOYSA-N -1 3 238.287 2.690 20 0 BFADHM [O-]c1ccc(-c2cccc(F)n2)cc1F ZINC001240782629 981819152 /nfs/dbraw/zinc/81/91/52/981819152.db2.gz DBZHTZUQDWSEQV-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM Cc1cc(-c2ccc([O-])c(F)c2)ccc1C(N)=O ZINC001240786780 981827787 /nfs/dbraw/zinc/82/77/87/981827787.db2.gz UVICQUHQTGDRFY-UHFFFAOYSA-N -1 3 245.253 2.606 20 0 BFADHM [O-]c1ccc(-c2ccnc(F)c2)cc1F ZINC001240786166 981828545 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CROCTNBKSSPBOO-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM [O-]c1ccccc1-c1cc(C(F)(F)F)cnn1 ZINC001241003012 982088206 /nfs/dbraw/zinc/08/82/06/982088206.db2.gz FCWYGLITQIQKNQ-UHFFFAOYSA-N -1 3 240.184 2.868 20 0 BFADHM [O-]c1ccccc1-c1ncnc2cnc(F)cc21 ZINC001241001847 982088263 /nfs/dbraw/zinc/08/82/63/982088263.db2.gz KEPRUXPXWZDJDW-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1ccccc1-c1ccnc(-c2cccnc2)n1 ZINC001241003851 982091881 /nfs/dbraw/zinc/09/18/81/982091881.db2.gz VRFFYPMAPVMJNC-UHFFFAOYSA-N -1 3 249.273 2.911 20 0 BFADHM [O-]c1ccccc1-c1cncc(C(F)(F)F)n1 ZINC001241007470 982095728 /nfs/dbraw/zinc/09/57/28/982095728.db2.gz CNLGMRFPPSMIMS-UHFFFAOYSA-N -1 3 240.184 2.868 20 0 BFADHM [O-]c1ccccc1-c1cnc2c(n1)CCCC2 ZINC001241007987 982097959 /nfs/dbraw/zinc/09/79/59/982097959.db2.gz DFQZZPOJKCHDEE-UHFFFAOYSA-N -1 3 226.279 2.728 20 0 BFADHM CCCc1ccc(-c2ccccc2[O-])nn1 ZINC001241009457 982099357 /nfs/dbraw/zinc/09/93/57/982099357.db2.gz QOTDHIJYGUWNAC-UHFFFAOYSA-N -1 3 214.268 2.802 20 0 BFADHM Cc1ccc(-c2cnc(C)c(C)n2)c([O-])c1 ZINC001241031099 982128864 /nfs/dbraw/zinc/12/88/64/982128864.db2.gz YFJNEURUEMUHOG-UHFFFAOYSA-N -1 3 214.268 2.774 20 0 BFADHM Cc1ccc(-c2nncc3ccoc32)c([O-])c1 ZINC001241036188 982139450 /nfs/dbraw/zinc/13/94/50/982139450.db2.gz QQZYNTIWDCCBNH-UHFFFAOYSA-N -1 3 226.235 2.904 20 0 BFADHM CSc1cnc(-c2ccc(C)cc2[O-])cn1 ZINC001241043259 982145318 /nfs/dbraw/zinc/14/53/18/982145318.db2.gz KURDJPHGBMRHJD-UHFFFAOYSA-N -1 3 232.308 2.880 20 0 BFADHM [O-]c1cc(F)cc(-c2cnc3cccnc3n2)c1 ZINC001241255999 982391471 /nfs/dbraw/zinc/39/14/71/982391471.db2.gz JETKYHKUIYIPQK-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM CSc1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241256994 982394285 /nfs/dbraw/zinc/39/42/85/982394285.db2.gz DQYBECGCXGOREZ-UHFFFAOYSA-N -1 3 236.271 2.710 20 0 BFADHM [O-]c1cc(F)cc(-c2ccc(C3CC3)nn2)c1 ZINC001241256658 982395352 /nfs/dbraw/zinc/39/53/52/982395352.db2.gz ZPHOOPWJISVSAH-UHFFFAOYSA-N -1 3 230.242 2.866 20 0 BFADHM Cc1cc2c(ncnc2-c2cc([O-])cc(F)c2)[nH]1 ZINC001241256137 982395501 /nfs/dbraw/zinc/39/55/01/982395501.db2.gz OFRKSOYLVYDNSR-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM Cc1cnc(C)c(-c2cc([O-])cc(F)c2)n1 ZINC001241257316 982395562 /nfs/dbraw/zinc/39/55/62/982395562.db2.gz IUFZATBQSHBKIV-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1c[nH]c2ncnc(-c3cc([O-])cc(F)c3)c12 ZINC001241258035 982395757 /nfs/dbraw/zinc/39/57/57/982395757.db2.gz SFUJEDBHFVGRAU-UHFFFAOYSA-N -1 3 243.241 2.730 20 0 BFADHM COc1cc(C)cnc1-c1cc([O-])cc(F)c1 ZINC001241261647 982398340 /nfs/dbraw/zinc/39/83/40/982398340.db2.gz FDLCAOJJOSHYEK-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1cc(C)c(-c2cc([O-])cc(F)c2)cn1 ZINC001241266408 982402448 /nfs/dbraw/zinc/40/24/48/982402448.db2.gz JJDRVBREBLLSGT-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1cc(-c2cc([O-])cc(F)c2)cnc1C ZINC001241267011 982403600 /nfs/dbraw/zinc/40/36/00/982403600.db2.gz RHCWKGJQTJXXOB-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1ncc(F)cc1-c1cc([O-])cc(F)c1 ZINC001241272538 982405607 /nfs/dbraw/zinc/40/56/07/982405607.db2.gz SDTPKPHEINZANO-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Nc1ccc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241277854 982408079 /nfs/dbraw/zinc/40/80/79/982408079.db2.gz REPBSTXSQGMBQN-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM COc1ccc(-c2cc([O-])cc(F)c2)c(N)c1 ZINC001241278181 982412164 /nfs/dbraw/zinc/41/21/64/982412164.db2.gz VZWJDQHIAPAZBJ-UHFFFAOYSA-N -1 3 233.242 2.789 20 0 BFADHM COc1ccc(F)nc1-c1cc([O-])cc(F)c1 ZINC001241281610 982421916 /nfs/dbraw/zinc/42/19/16/982421916.db2.gz FEUHAKCJALSHOU-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM c1cc(-c2ccc(-c3nnn[n-]3)cc2)cc2c1CC2 ZINC001241443297 982596067 /nfs/dbraw/zinc/59/60/67/982596067.db2.gz FORJQGLNDRXRMS-UHFFFAOYSA-N -1 3 248.289 2.632 20 0 BFADHM c1cc(-c2ccc(-c3nn[n-]n3)cc2)cc2c1CC2 ZINC001241443297 982596089 /nfs/dbraw/zinc/59/60/89/982596089.db2.gz FORJQGLNDRXRMS-UHFFFAOYSA-N -1 3 248.289 2.632 20 0 BFADHM 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/nfs/dbraw/zinc/71/18/56/991711856.db2.gz VRNAIHHZHPVJJW-GZMMTYOYSA-N -1 3 241.281 2.805 20 0 BFADHM Cc1cc([C@H](C)N2CCC=C(C)C2)oc1C(=O)[O-] ZINC001594113971 998233627 /nfs/dbraw/zinc/23/36/27/998233627.db2.gz WOWZMPOAJVPMPW-NSHDSACASA-N -1 3 249.310 2.999 20 0 BFADHM Cc1ccc(CN(C)CCCCCC(=O)[O-])o1 ZINC000071286296 398145554 /nfs/dbraw/zinc/14/55/54/398145554.db2.gz OPBMRFMQHQCZRD-UHFFFAOYSA-N -1 3 239.315 2.665 20 0 BFADHM CCC(CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000081959731 168338539 /nfs/dbraw/zinc/33/85/39/168338539.db2.gz RNTOSFNOTBFPPF-UHFFFAOYSA-N -1 3 239.290 2.584 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C[C@@H]1C ZINC000164542533 398201731 /nfs/dbraw/zinc/20/17/31/398201731.db2.gz AVXXVVCBXYWBKP-IUCAKERBSA-N -1 3 237.299 2.517 20 0 BFADHM Cc1cc(CN2C[C@H](C)C[C@@H]2C)oc1C(=O)[O-] ZINC000164542164 398201949 /nfs/dbraw/zinc/20/19/49/398201949.db2.gz YAPIMYDFIAGCKU-SCZZXKLOSA-N -1 3 237.299 2.517 20 0 BFADHM Cc1cc(NC([O-])=NOC(C)C)ccc1F ZINC000296407912 178140330 /nfs/dbraw/zinc/14/03/30/178140330.db2.gz HKDOKXCZSRWKKQ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1F ZINC000296407912 178140334 /nfs/dbraw/zinc/14/03/34/178140334.db2.gz HKDOKXCZSRWKKQ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1ccc(C(=O)N(C)CC2CCC2)c([O-])c1C ZINC000111649362 178375878 /nfs/dbraw/zinc/37/58/78/178375878.db2.gz XMTGEKDJUHRLSR-UHFFFAOYSA-N -1 3 247.338 2.881 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1 ZINC000336547671 178380771 /nfs/dbraw/zinc/38/07/71/178380771.db2.gz AFNQENBRSMVVHD-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N2CCCC[C@@H]2C)c([O-])c1 ZINC000019837082 178386088 /nfs/dbraw/zinc/38/60/88/178386088.db2.gz RBGNQRFUEBNCAQ-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1C ZINC000267819302 178399734 /nfs/dbraw/zinc/39/97/34/178399734.db2.gz HOJOZYZEDFWLBU-QWRGUYRKSA-N -1 3 247.338 2.737 20 0 BFADHM CC[C@]1(C)CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000399471467 342727616 /nfs/dbraw/zinc/72/76/16/342727616.db2.gz PYIBYZKJKWDCDA-CYBMUJFWSA-N -1 3 237.299 2.600 20 0 BFADHM CCC(CC)NC(=O)c1ccc(C)cc1[O-] ZINC000019837269 168385729 /nfs/dbraw/zinc/38/57/29/168385729.db2.gz ADVVXRKYJGWBEP-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CCC(CC)NC(=O)c1cccc(C)c1[O-] ZINC000019837268 168386170 /nfs/dbraw/zinc/38/61/70/168386170.db2.gz DOTBZODRRKQBSR-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CCCC[C@@H](CC)C[N-]C(=O)C(F)(F)F ZINC000006042896 342772939 /nfs/dbraw/zinc/77/29/39/342772939.db2.gz SHXDVRKLRBPZSH-MRVPVSSYSA-N -1 3 225.254 2.881 20 0 BFADHM CCc1[n-]n(CC(C)C)c(=O)c1C(C)C ZINC000634583960 342826828 /nfs/dbraw/zinc/82/68/28/342826828.db2.gz MXKHPQWRAMSOQQ-NSHDSACASA-N -1 3 210.321 2.523 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccoc1 ZINC000067138871 361980912 /nfs/dbraw/zinc/98/09/12/361980912.db2.gz KNLRKMKHNYRJHO-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145638 361981372 /nfs/dbraw/zinc/98/13/72/361981372.db2.gz YUEYNKJJAXHFON-LURJTMIESA-N -1 3 245.731 2.736 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)CC(C)(C)C ZINC000625125305 342880004 /nfs/dbraw/zinc/88/00/04/342880004.db2.gz WZZBXODWWPRZLA-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1ccc(Cn2[n-]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634589011 342935135 /nfs/dbraw/zinc/93/51/35/342935135.db2.gz LNKYDDZOTTVLJU-SMDDNHRTSA-N -1 3 242.322 2.739 20 0 BFADHM C[C@@H]1CCc2[n-]n(Cc3cccc(F)c3)c(=O)c21 ZINC000634589970 342937000 /nfs/dbraw/zinc/93/70/00/342937000.db2.gz NOTJGCKYJQTWKS-RNCFNFMXSA-N -1 3 246.285 2.570 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCCCC3)c(=O)c21 ZINC000634593918 342953239 /nfs/dbraw/zinc/95/32/39/342953239.db2.gz DNOVBHJILQJRCY-SKDRFNHKSA-N -1 3 220.316 2.563 20 0 BFADHM CCc1cc(C(=O)NC[C@@H](C)C(C)C)ccc1[O-] ZINC000486434518 529517146 /nfs/dbraw/zinc/51/71/46/529517146.db2.gz XDGOTVXUOMYUED-LLVKDONJSA-N -1 3 249.354 2.977 20 0 BFADHM Cc1csc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000019840495 342959297 /nfs/dbraw/zinc/95/92/97/342959297.db2.gz VJHOLFQKFVORGI-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCCCN(CC)C(=O)c1ccccc1[O-] ZINC000019838880 342959447 /nfs/dbraw/zinc/95/94/47/342959447.db2.gz OWUWVWVYFANLHP-UHFFFAOYSA-N -1 3 221.300 2.654 20 0 BFADHM CCCCN(C)C(=O)c1cc(C)ccc1[O-] ZINC000019838854 342959498 /nfs/dbraw/zinc/95/94/98/342959498.db2.gz VZFUVEZWETXUDG-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM Cc1[n-]n([C@@H]2CCC[C@@H](C)C2)c(=O)c1C1CC1 ZINC000634600638 342993753 /nfs/dbraw/zinc/99/37/53/342993753.db2.gz NRBYNSFRWSPBPT-OASPWFOLSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(C3CCC(C)CC3)c(=O)c21 ZINC000634599553 342988399 /nfs/dbraw/zinc/98/83/99/342988399.db2.gz LBHKWLNVYHIOAH-MEVFXHMWSA-N -1 3 234.343 2.809 20 0 BFADHM Cc1cccc(Cn2[n-]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634604515 342998823 /nfs/dbraw/zinc/99/88/23/342998823.db2.gz IVDVUYNLVWJXQT-FZMZJTMJSA-N -1 3 242.322 2.739 20 0 BFADHM Cc1[n-]n(Cc2ccccc2F)c(=O)c1C1CC1 ZINC000634608095 343003839 /nfs/dbraw/zinc/00/38/39/343003839.db2.gz QYWZNGMKGZQWSR-ZDUSSCGKSA-N -1 3 246.285 2.570 20 0 BFADHM C[C@H]1CCc2[n-]n(CCC(C)(C)C)c(=O)c21 ZINC000634620754 343019674 /nfs/dbraw/zinc/01/96/74/343019674.db2.gz OEAAMGRBXRLGSO-ONGXEEELSA-N -1 3 222.332 2.667 20 0 BFADHM CCC(CC)Cn1[n-]c(C)c(C2CC2)c1=O ZINC000634621864 343020452 /nfs/dbraw/zinc/02/04/52/343020452.db2.gz RGGDIWZVRSCWDD-LBPRGKRZSA-N -1 3 222.332 2.667 20 0 BFADHM CCC(CC)Cn1ncc2cc([O-])ccc2c1=O ZINC000634622012 343020738 /nfs/dbraw/zinc/02/07/38/343020738.db2.gz VLDQRHMSWRKTNV-UHFFFAOYSA-N -1 3 246.310 2.538 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1Cc2ccccc21 ZINC000335909469 136262303 /nfs/dbraw/zinc/26/23/03/136262303.db2.gz HNQPUECKUQHEDI-LBPRGKRZSA-N -1 3 239.274 2.671 20 0 BFADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000088302075 259353562 /nfs/dbraw/zinc/35/35/62/259353562.db2.gz HYVMUJYZWXIDMK-WDEREUQCSA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@@H]1CCCN(c2ccncc2C(=O)[O-])CC1 ZINC000126235792 343169562 /nfs/dbraw/zinc/16/95/62/343169562.db2.gz KOMJIRURXDXWHM-LLVKDONJSA-N -1 3 248.326 2.796 20 0 BFADHM CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000051330326 343256141 /nfs/dbraw/zinc/25/61/41/343256141.db2.gz QLQZFXVQPSQUOJ-NSHDSACASA-N -1 3 237.299 2.742 20 0 BFADHM CCCN(Cc1cc(C(=O)[O-])oc1C)C1CC1 ZINC000051361380 343256158 /nfs/dbraw/zinc/25/61/58/343256158.db2.gz LLPTUOYCRSPVCX-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CC[C@@H](C)CN(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361389 343256262 /nfs/dbraw/zinc/25/62/62/343256262.db2.gz LCUCILCXCCKRHB-SECBINFHSA-N -1 3 239.315 2.764 20 0 BFADHM CN(Cc1cc(C(=O)[O-])co1)C1CCCCC1 ZINC000051330269 343256324 /nfs/dbraw/zinc/25/63/24/343256324.db2.gz NGCJLXKZYLVQNK-UHFFFAOYSA-N -1 3 237.299 2.742 20 0 BFADHM CCN(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC000037082599 343333255 /nfs/dbraw/zinc/33/32/55/343333255.db2.gz JQEHGPBSLCRPNX-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM O=[S@@](CC1CC(F)(F)C1)c1ccc([O-])cc1 ZINC000335631597 136300349 /nfs/dbraw/zinc/30/03/49/136300349.db2.gz OOZYDUUTXWUAON-INIZCTEOSA-N -1 3 246.278 2.545 20 0 BFADHM CCN(CC(C)C)C(=O)c1cccc([O-])c1 ZINC000037112010 343334808 /nfs/dbraw/zinc/33/48/08/343334808.db2.gz UTZLVNDGPOBBSM-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM O=[S@@](CC1CC(F)(F)C1)c1cccc([O-])c1 ZINC000335648066 136304242 /nfs/dbraw/zinc/30/42/42/136304242.db2.gz SAMQEGFALLLEET-INIZCTEOSA-N -1 3 246.278 2.545 20 0 BFADHM CCc1nc(C(=O)Nc2ccccc2[O-])c(C)o1 ZINC000335698611 136327741 /nfs/dbraw/zinc/32/77/41/136327741.db2.gz ZJLVQJFDHQKYJT-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM CSc1ccccc1[N-]C(=O)c1ocnc1C ZINC000335682392 136329095 /nfs/dbraw/zinc/32/90/95/136329095.db2.gz GEVVHYRKMOXTPX-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM Cc1ccc(C(=O)N2CC(C)=C[C@H](C)C2)c([O-])c1 ZINC000335701784 136334318 /nfs/dbraw/zinc/33/43/18/136334318.db2.gz LFJGSNFLVAEMLR-NSHDSACASA-N -1 3 245.322 2.739 20 0 BFADHM Cc1cccc(C(=O)N(C)C2CC(C)(C)C2)c1[O-] ZINC000335655289 136376162 /nfs/dbraw/zinc/37/61/62/136376162.db2.gz CJLQJZOBVHNTPS-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM CN(C(=O)c1cccc([O-])c1)C1CC(C)(C)C1 ZINC000335655295 136376183 /nfs/dbraw/zinc/37/61/83/136376183.db2.gz CQHXHYVGFCGCHX-UHFFFAOYSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000185917351 343472963 /nfs/dbraw/zinc/47/29/63/343472963.db2.gz SOBDUVSATZSDNC-WDEREUQCSA-N -1 3 233.311 2.931 20 0 BFADHM CCc1ccc(C(=O)N2CCC2(C)C)c([O-])c1 ZINC000526053807 259363726 /nfs/dbraw/zinc/36/37/26/259363726.db2.gz NLIHNSDCMKFYMQ-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1cc(C(=O)NCC2=CCCC2)ccc1[O-] ZINC000620006894 343557212 /nfs/dbraw/zinc/55/72/12/343557212.db2.gz GYHIVSVSICMMBD-UHFFFAOYSA-N -1 3 231.295 2.541 20 0 BFADHM Cc1ccc(NC(=O)CC[C@H]2CCCO2)c([O-])c1 ZINC000047430104 343561763 /nfs/dbraw/zinc/56/17/63/343561763.db2.gz SSRQHHMDRFQKBM-LLVKDONJSA-N -1 3 249.310 2.598 20 0 BFADHM CC(C)CN(C(=O)c1ccccc1[O-])C(C)C ZINC000047872970 343567162 /nfs/dbraw/zinc/56/71/62/343567162.db2.gz QZSTYZPLROICEY-UHFFFAOYSA-N -1 3 235.327 2.899 20 0 BFADHM C[C@@H]1[C@@H](C)CN1Cc1cc([O-])ccc1Cl ZINC000625447868 343772119 /nfs/dbraw/zinc/77/21/19/343772119.db2.gz AUDMBGLKNYRMNG-DTWKUNHWSA-N -1 3 225.719 2.886 20 0 BFADHM C/C(=C\C(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293729146 187349887 /nfs/dbraw/zinc/34/98/87/187349887.db2.gz HLPDFCNVCPWLLH-PKNBQFBNSA-N -1 3 231.295 2.548 20 0 BFADHM C/C(=C/c1ccc(F)cc1)C(=O)[N-]OCC1CC1 ZINC000293739176 187350629 /nfs/dbraw/zinc/35/06/29/187350629.db2.gz IRDMLBMPGUALCP-NTMALXAHSA-N -1 3 249.285 2.687 20 0 BFADHM Fc1ccccc1-c1ccc(=S)[n-]n1 ZINC000236187367 343795644 /nfs/dbraw/zinc/79/56/44/343795644.db2.gz WYSGDIUUJNPSCE-UHFFFAOYSA-N -1 3 206.245 2.571 20 0 BFADHM CCOc1ccccc1-c1ccc(=S)[n-]n1 ZINC000300052678 343796820 /nfs/dbraw/zinc/79/68/20/343796820.db2.gz ZPIUNMRPOVDLBB-UHFFFAOYSA-N -1 3 232.308 2.831 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625463094 343866883 /nfs/dbraw/zinc/86/68/83/343866883.db2.gz AAIHQSNROWBBOW-SNVBAGLBSA-N -1 3 235.327 2.819 20 0 BFADHM O=C([N-]c1cnoc1)c1cc(Cl)ccc1F ZINC000060393492 343920240 /nfs/dbraw/zinc/92/02/40/343920240.db2.gz JBYBCOACZCSDKF-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM Cc1conc1[N-]C(=O)c1scnc1C1CC1 ZINC000130986607 344215476 /nfs/dbraw/zinc/21/54/76/344215476.db2.gz XZTWMKCPPGAJKK-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000626065897 344709776 /nfs/dbraw/zinc/70/97/76/344709776.db2.gz QIAUWHRETUOSBI-TXEJJXNPSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H](C)C2(C)CC2)c1[O-] ZINC000175565697 179005119 /nfs/dbraw/zinc/00/51/19/179005119.db2.gz SSOKSZCBWVHUSK-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1[O-] ZINC000035207572 179005740 /nfs/dbraw/zinc/00/57/40/179005740.db2.gz MMZFDASMFPEBBH-SNVBAGLBSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2CCCC2(C)C)c1[O-] ZINC000063072967 179007526 /nfs/dbraw/zinc/00/75/26/179007526.db2.gz RAORJLTULGMZMO-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)C[C@H]2C)c1[O-] ZINC000051746425 179011632 /nfs/dbraw/zinc/01/16/32/179011632.db2.gz RNXVSTQDSSWKIM-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)CC2(C)C)c1[O-] ZINC000266944142 179012046 /nfs/dbraw/zinc/01/20/46/179012046.db2.gz RCTNSNSMELHEER-JTQLQIEISA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H]3CCCC[C@H]32)c1[O-] ZINC000368628326 179014035 /nfs/dbraw/zinc/01/40/35/179014035.db2.gz MMPDYIKLMSVECC-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C)c1NC(=O)[N-]OCC1CC1 ZINC000292759172 179040992 /nfs/dbraw/zinc/04/09/92/179040992.db2.gz KKCUYAQXAPZBNF-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM CC1(C)C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000157248918 346379012 /nfs/dbraw/zinc/37/90/12/346379012.db2.gz ILVSEMXJURLAIR-MRVPVSSYSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1cccc(C[N-]C(=O)C(F)(F)C(F)F)c1 ZINC000226602596 179085834 /nfs/dbraw/zinc/08/58/34/179085834.db2.gz MUTOTZCZRBVNAA-UHFFFAOYSA-N -1 3 249.207 2.512 20 0 BFADHM Cc1cccc(NC(=O)[N-]OCC2CC2)c1C ZINC000292833637 179135205 /nfs/dbraw/zinc/13/52/05/179135205.db2.gz XZBXEXQPRQOCQO-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C=CCC1 ZINC000179548087 179160336 /nfs/dbraw/zinc/16/03/36/179160336.db2.gz XHUNWGLOHSKINP-LLVKDONJSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)C(C)(F)F ZINC000294646733 179160724 /nfs/dbraw/zinc/16/07/24/179160724.db2.gz RXSAZNGRBHMCHW-MRVPVSSYSA-N -1 3 243.253 2.930 20 0 BFADHM Cc1ccc(NC(=O)c2cc(C)ccc2[O-])nc1 ZINC000019836541 347294125 /nfs/dbraw/zinc/29/41/25/347294125.db2.gz DOMWQUOJJKLRRK-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000019836790 347294259 /nfs/dbraw/zinc/29/42/59/347294259.db2.gz QTCJBKUBPQALEH-UHFFFAOYSA-N -1 3 227.263 2.953 20 0 BFADHM C[C@@H](F)CCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000577286937 365917193 /nfs/dbraw/zinc/91/71/93/365917193.db2.gz XIFHOERVVYGOBZ-SNVBAGLBSA-N -1 3 239.290 2.565 20 0 BFADHM Cc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000019840499 179302944 /nfs/dbraw/zinc/30/29/44/179302944.db2.gz YBUITPIZFBUCII-UHFFFAOYSA-N -1 3 227.263 2.953 20 0 BFADHM C[C@@H]1CCCCCN1Cc1cc(C(=O)[O-])co1 ZINC000070410260 350001523 /nfs/dbraw/zinc/00/15/23/350001523.db2.gz JJKWVDULTODEBG-SNVBAGLBSA-N -1 3 237.299 2.742 20 0 BFADHM CC[C@@H](C)CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248755561 349148167 /nfs/dbraw/zinc/14/81/67/349148167.db2.gz PJPCAPAHPJLNSS-MWLCHTKSSA-N -1 3 237.347 2.530 20 0 BFADHM Cc1nc(NC(=O)c2cccc([O-])c2)sc1C ZINC000003110855 180014986 /nfs/dbraw/zinc/01/49/86/180014986.db2.gz AWOSMEVZBSCGJO-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C1CCC1 ZINC000626268222 350141186 /nfs/dbraw/zinc/14/11/86/350141186.db2.gz LDJRUIBFBLNSNO-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)C1CCC1 ZINC000626268221 350141214 /nfs/dbraw/zinc/14/12/14/350141214.db2.gz LDJRUIBFBLNSNO-JTQLQIEISA-N -1 3 233.311 2.619 20 0 BFADHM CC1(C)C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000228638335 350550216 /nfs/dbraw/zinc/55/02/16/350550216.db2.gz MQXAZJWQQKWKEQ-SNVBAGLBSA-N -1 3 230.267 2.956 20 0 BFADHM CC1(C)CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000389176102 350770671 /nfs/dbraw/zinc/77/06/71/350770671.db2.gz WTNOCJPBZALKKP-NSHDSACASA-N -1 3 247.338 2.948 20 0 BFADHM C=C(C)CN(CC)Cc1cc(C)c(C(=O)[O-])o1 ZINC000382502850 350848737 /nfs/dbraw/zinc/84/87/37/350848737.db2.gz RVXAAHHXJYQQPZ-UHFFFAOYSA-N -1 3 237.299 2.684 20 0 BFADHM Cc1cc(N[C@@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000035697533 358458583 /nfs/dbraw/zinc/45/85/83/358458583.db2.gz BBEFOUSVVGFPTR-JTQLQIEISA-N -1 3 244.294 2.818 20 0 BFADHM CCN(Cc1c(F)ccc([O-])c1F)C(C)C ZINC000294905731 352387954 /nfs/dbraw/zinc/38/79/54/352387954.db2.gz MXGMFZCEKZHOKY-UHFFFAOYSA-N -1 3 229.270 2.901 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1 ZINC000334248340 352840533 /nfs/dbraw/zinc/84/05/33/352840533.db2.gz XHRPRRHHYZEHPV-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H]1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000334250227 352843762 /nfs/dbraw/zinc/84/37/62/352843762.db2.gz ZYCLCIVJPOEOFR-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM [O-]C(=NOC1CCCC1)Nc1ccsc1 ZINC000271782719 188026115 /nfs/dbraw/zinc/02/61/15/188026115.db2.gz GFEKIKCAFBMOJU-UHFFFAOYSA-N -1 3 226.301 2.744 20 0 BFADHM O=C([N-]OC1CCCC1)Nc1ccsc1 ZINC000271782719 188026117 /nfs/dbraw/zinc/02/61/17/188026117.db2.gz GFEKIKCAFBMOJU-UHFFFAOYSA-N -1 3 226.301 2.744 20 0 BFADHM CC1(C)CCC(C(=O)Nc2ncccc2[O-])CC1 ZINC000341884178 188044843 /nfs/dbraw/zinc/04/48/43/188044843.db2.gz GCUAAKDMXHCSKQ-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM CC(C)(F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000119344250 188327864 /nfs/dbraw/zinc/32/78/64/188327864.db2.gz FCTNMRPPEVSUMB-UHFFFAOYSA-N -1 3 231.654 2.732 20 0 BFADHM CC1=C[C@@H](C)CN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000334596705 354230567 /nfs/dbraw/zinc/23/05/67/354230567.db2.gz SQATXYGRVQLXNS-LLVKDONJSA-N -1 3 245.322 2.783 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000334804752 354561209 /nfs/dbraw/zinc/56/12/09/354561209.db2.gz SVIGADJRZGGTKH-VXNVDRBHSA-N -1 3 241.237 2.540 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000334804750 354561256 /nfs/dbraw/zinc/56/12/56/354561256.db2.gz SVIGADJRZGGTKH-CBAPKCEASA-N -1 3 241.237 2.540 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000335103662 354687653 /nfs/dbraw/zinc/68/76/53/354687653.db2.gz NDJGZCILGHRKDJ-GFCCVEGCSA-N -1 3 245.322 2.654 20 0 BFADHM CCC1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000335109799 354695759 /nfs/dbraw/zinc/69/57/59/354695759.db2.gz NYQARTLVKFOYFG-UHFFFAOYSA-N -1 3 239.702 2.528 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC(C)(C)C2)n1 ZINC000345924326 354808947 /nfs/dbraw/zinc/80/89/47/354808947.db2.gz IJIDHEVGLFRBDK-JTQLQIEISA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CC[C@H](C)C2)n1 ZINC000345990324 354833659 /nfs/dbraw/zinc/83/36/59/354833659.db2.gz PLUDJZZJGRIGRK-ONGXEEELSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000335813478 355501474 /nfs/dbraw/zinc/50/14/74/355501474.db2.gz JMQHFXVRXHGZRM-UHFFFAOYSA-N -1 3 244.172 2.769 20 0 BFADHM Cc1cc(=NC(=O)C2=C(C)CC(C)(C)CC2)[n-]o1 ZINC000583545595 355522248 /nfs/dbraw/zinc/52/22/48/355522248.db2.gz MKWSVKHFNAHHDI-UHFFFAOYSA-N -1 3 248.326 2.870 20 0 BFADHM CC[C@@H](C)CCNC(=O)c1cccc([O-])c1 ZINC000617631367 356207936 /nfs/dbraw/zinc/20/79/36/356207936.db2.gz FBLPSZGXXTUVLT-SNVBAGLBSA-N -1 3 221.300 2.558 20 0 BFADHM CCc1cncc(C(=O)Nc2ccccc2[O-])c1 ZINC000336542704 356389431 /nfs/dbraw/zinc/38/94/31/356389431.db2.gz ZWDFYSHNWKFPKK-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM CO[C@H](c1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000350566487 366299569 /nfs/dbraw/zinc/29/95/69/366299569.db2.gz CEGOVNIZVVHGNA-NSHDSACASA-N -1 3 248.282 2.786 20 0 BFADHM CCC(CC)N=c1[n-]c(C(C)=O)c(C)s1 ZINC000450209962 202096821 /nfs/dbraw/zinc/09/68/21/202096821.db2.gz CWDVLIJAKZLXLE-UHFFFAOYSA-N -1 3 226.345 2.677 20 0 BFADHM CC(C)[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000323914743 356664309 /nfs/dbraw/zinc/66/43/09/356664309.db2.gz GVPRXIZTIKBYTQ-ZDUSSCGKSA-N -1 3 233.311 2.557 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000623363971 356815758 /nfs/dbraw/zinc/81/57/58/356815758.db2.gz NJVVLCQQTRVAHK-QWRGUYRKSA-N -1 3 247.338 2.819 20 0 BFADHM CCN(Cc1ccoc1)C(=O)c1ccccc1[O-] ZINC000102288880 357274325 /nfs/dbraw/zinc/27/43/25/357274325.db2.gz KMKXBAGHZHSEAZ-UHFFFAOYSA-N -1 3 245.278 2.648 20 0 BFADHM CC[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000011961958 357463422 /nfs/dbraw/zinc/46/34/22/357463422.db2.gz QRQFPTQTXQYUBS-SNVBAGLBSA-N -1 3 237.299 2.742 20 0 BFADHM CC1CCC(CNC(=O)c2cccc([O-])c2)CC1 ZINC000063147084 357535117 /nfs/dbraw/zinc/53/51/17/357535117.db2.gz HCITZVRMILKNDI-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM CCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432179 357991925 /nfs/dbraw/zinc/99/19/25/357991925.db2.gz YQTWEZHFEMFPNN-UHFFFAOYSA-N -1 3 225.288 2.518 20 0 BFADHM Cc1oc(CN2CCC(C)CC2)cc1C(=O)[O-] ZINC000035432144 357991949 /nfs/dbraw/zinc/99/19/49/357991949.db2.gz GPBHGVJAFIOESD-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CC[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000036170042 358012106 /nfs/dbraw/zinc/01/21/06/358012106.db2.gz MNBKZNMFEVNDFS-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM CCC[C@@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812887 358052598 /nfs/dbraw/zinc/05/25/98/358052598.db2.gz VVUZCQUPTPUAMH-SNVBAGLBSA-N -1 3 239.315 2.907 20 0 BFADHM Cc1cc(CN(C)C2CCCC2)oc1C(=O)[O-] ZINC000036812836 358052885 /nfs/dbraw/zinc/05/28/85/358052885.db2.gz RMRLUAOFWXNVGD-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CCn1c(S[C@@H](C)CC(C)C)n[n-]c1=O ZINC000450704469 202239395 /nfs/dbraw/zinc/23/93/95/202239395.db2.gz MDCDVSBEEQUMLK-QMMMGPOBSA-N -1 3 229.349 2.530 20 0 BFADHM CC(C)(C(=O)[N-]OCc1ccccc1)C1CC1 ZINC000287183834 166509244 /nfs/dbraw/zinc/50/92/44/166509244.db2.gz RQYSWSBLPGIPOZ-UHFFFAOYSA-N -1 3 233.311 2.671 20 0 BFADHM CCCCN(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000042490647 358350037 /nfs/dbraw/zinc/35/00/37/358350037.db2.gz LKCADZBFBRILOO-UHFFFAOYSA-N -1 3 237.299 2.742 20 0 BFADHM C[C@@H](C1CCC1)N(C)C(=O)c1ccccc1[O-] ZINC000325351668 358449406 /nfs/dbraw/zinc/44/94/06/358449406.db2.gz MXYWBNZGAYIYJO-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM CC(C)(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000131380218 358672648 /nfs/dbraw/zinc/67/26/48/358672648.db2.gz HAGBBJOMDLQVPV-NSHDSACASA-N -1 3 247.338 2.900 20 0 BFADHM Cc1ccc([O-])c(CN2CCc3ccccc32)n1 ZINC000131790921 358692803 /nfs/dbraw/zinc/69/28/03/358692803.db2.gz FMZGJJOTQQGDMY-UHFFFAOYSA-N -1 3 240.306 2.658 20 0 BFADHM CCC(CC)CC(=O)Nc1ccncc1[O-] ZINC000133686729 358763090 /nfs/dbraw/zinc/76/30/90/358763090.db2.gz QBVGPOVMEZBUJV-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)[C@H](C)C1 ZINC000070115749 359042095 /nfs/dbraw/zinc/04/20/95/359042095.db2.gz IIANKBOXVYIRCY-GYSYKLTISA-N -1 3 247.338 2.947 20 0 BFADHM Cc1ccncc1NC(=O)c1cccc(C)c1[O-] ZINC000071414414 359079506 /nfs/dbraw/zinc/07/95/06/359079506.db2.gz XUMWEISEEOPFRL-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(C)=C[C@@H](C)C1 ZINC000626816840 359732245 /nfs/dbraw/zinc/73/22/45/359732245.db2.gz RNMZIUBTHISHNS-SNVBAGLBSA-N -1 3 245.322 2.739 20 0 BFADHM CCC(CC)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450976747 202322715 /nfs/dbraw/zinc/32/27/15/202322715.db2.gz ZZPGPUVEZUEZDX-UHFFFAOYSA-N -1 3 247.385 2.523 20 0 BFADHM C[C@@H](C1CC1)N(Cc1occc1C(=O)[O-])C1CC1 ZINC000578541032 366594552 /nfs/dbraw/zinc/59/45/52/366594552.db2.gz VEVQFNYYBIKECO-VIFPVBQESA-N -1 3 249.310 2.741 20 0 BFADHM Cc1cc([C@@H](C)N2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000578899720 366671241 /nfs/dbraw/zinc/67/12/41/366671241.db2.gz DHTYEAJGOAOKPP-PSASIEDQSA-N -1 3 237.299 2.689 20 0 BFADHM O=C(CCCF)Nc1cc(Cl)ccc1[O-] ZINC000612754210 360051331 /nfs/dbraw/zinc/05/13/31/360051331.db2.gz FAKAGOXBCQNCQG-UHFFFAOYSA-N -1 3 231.654 2.734 20 0 BFADHM Cc1ccc(C(=O)Nc2cccnc2C)c([O-])c1 ZINC000091497355 360118639 /nfs/dbraw/zinc/11/86/39/360118639.db2.gz BNCNDHGMYHYOEA-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613027265 360293200 /nfs/dbraw/zinc/29/32/00/360293200.db2.gz KIUBQRLHUOTFJO-IEBDPFPHSA-N -1 3 249.285 2.906 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1C[C@@H]1C ZINC000629099695 360877524 /nfs/dbraw/zinc/87/75/24/360877524.db2.gz GDGDPFMTXCGJDS-IUCAKERBSA-N -1 3 241.360 2.532 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@H]1CCCC[C@H]1C ZINC000629099782 360877904 /nfs/dbraw/zinc/87/79/04/360877904.db2.gz HZOKBLHRTMPHMG-BDAKNGLRSA-N -1 3 241.360 2.674 20 0 BFADHM C[C@@H]1C[C@@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000629157998 360910902 /nfs/dbraw/zinc/91/09/02/360910902.db2.gz TVQUTOUCTHPRFO-RKDXNWHRSA-N -1 3 246.339 2.615 20 0 BFADHM Cc1nocc1[N-]C(=O)c1nc(C(C)C)oc1C ZINC000640487548 361279774 /nfs/dbraw/zinc/27/97/74/361279774.db2.gz NTRDQWCFYJRMTR-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM CCCC(CCC)C(=O)Nc1ncccc1[O-] ZINC000181004268 366781162 /nfs/dbraw/zinc/78/11/62/366781162.db2.gz WPKZJHBERGEWSA-UHFFFAOYSA-N -1 3 236.315 2.942 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)CC)c1 ZINC000436543239 201332024 /nfs/dbraw/zinc/33/20/24/201332024.db2.gz KTJDWORQDZANHC-SNVBAGLBSA-N -1 3 235.327 2.825 20 0 BFADHM Cc1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1C ZINC000436613308 201334749 /nfs/dbraw/zinc/33/47/49/201334749.db2.gz URFGZWMSBOBTFF-UHFFFAOYSA-N -1 3 247.338 2.927 20 0 BFADHM CC(C)(C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436758436 201337406 /nfs/dbraw/zinc/33/74/06/201337406.db2.gz YYOOQLWIHGHGTO-UHFFFAOYSA-N -1 3 247.338 2.799 20 0 BFADHM CCc1ccc(C(=O)N(C)[C@@H](C)CC)c([O-])c1 ZINC000436828253 201338448 /nfs/dbraw/zinc/33/84/48/201338448.db2.gz XRSMPVXHLKBDOA-JTQLQIEISA-N -1 3 235.327 2.825 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1C ZINC000436821022 201339149 /nfs/dbraw/zinc/33/91/49/201339149.db2.gz NNZZDEHQSHNSRA-PJXYFTJBSA-N -1 3 245.322 2.537 20 0 BFADHM CCc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1 ZINC000436832740 201339392 /nfs/dbraw/zinc/33/93/92/201339392.db2.gz KBADZKDLMPHMKF-LBPRGKRZSA-N -1 3 245.322 2.793 20 0 BFADHM CCc1ccc(C(=O)N[C@@H]2C=CCCC2)c([O-])c1 ZINC000436831543 201339404 /nfs/dbraw/zinc/33/94/04/201339404.db2.gz QCRVBJXEWWMSLX-GFCCVEGCSA-N -1 3 245.322 2.793 20 0 BFADHM Cc1ccc(C(=O)N2CCCCCO2)c([O-])c1C ZINC000436896320 201340754 /nfs/dbraw/zinc/34/07/54/201340754.db2.gz SAGGSIVKFHJQOJ-UHFFFAOYSA-N -1 3 249.310 2.567 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1C ZINC000436531820 201332578 /nfs/dbraw/zinc/33/25/78/201332578.db2.gz PTYHQPWRUWIPHD-LBPRGKRZSA-N -1 3 245.322 2.848 20 0 BFADHM CC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC000618953222 363915315 /nfs/dbraw/zinc/91/53/15/363915315.db2.gz KXHHONIIVVRCOM-AWEZNQCLSA-N -1 3 233.311 2.701 20 0 BFADHM O=C(Nc1ccccc1[O-])C1(C(F)F)CCC1 ZINC000630795480 364562686 /nfs/dbraw/zinc/56/26/86/364562686.db2.gz DSHOVUNPYBPYOS-UHFFFAOYSA-N -1 3 241.237 2.766 20 0 BFADHM Cc1ccccc1CN(C)Cc1ncccc1[O-] ZINC000573525735 364853838 /nfs/dbraw/zinc/85/38/38/364853838.db2.gz GLUFVGRKZYLZFM-UHFFFAOYSA-N -1 3 242.322 2.728 20 0 BFADHM O=C(Cc1ccccc1)Nc1cc(F)ccc1[O-] ZINC000174875247 365518505 /nfs/dbraw/zinc/51/85/05/365518505.db2.gz ARAIRGFQLRBIJA-UHFFFAOYSA-N -1 3 245.253 2.713 20 0 BFADHM CC(=O)c1cccc(NC(=O)C[C@@H]2C[C@H]2C)c1[O-] ZINC000581014310 367235659 /nfs/dbraw/zinc/23/56/59/367235659.db2.gz KXJGLWXXQKCRSY-SCZZXKLOSA-N -1 3 247.294 2.579 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cc(C2CC2)on1 ZINC000194512271 367300453 /nfs/dbraw/zinc/30/04/53/367300453.db2.gz RXOSGMWVMCPOMS-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM CCc1ccc(C(=O)NCC2(C)CCC2)c([O-])c1 ZINC000622417123 370909288 /nfs/dbraw/zinc/90/92/88/370909288.db2.gz XGCNXWZDCMBCBG-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM C[C@@H]1CC[C@H](C)N(Cc2ccoc2C(=O)[O-])C1 ZINC000088705717 368924443 /nfs/dbraw/zinc/92/44/43/368924443.db2.gz BQWATRQPHGQZCM-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CC[C@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000088705774 368924696 /nfs/dbraw/zinc/92/46/96/368924696.db2.gz CROGTDYTOSSSLV-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)C1CC1 ZINC000623683057 369399519 /nfs/dbraw/zinc/39/95/19/369399519.db2.gz FVDLLMZPECLLLM-SNVBAGLBSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2=CCCC2)c1 ZINC000620003043 369658300 /nfs/dbraw/zinc/65/83/00/369658300.db2.gz AZBRTGANRQPUKM-UHFFFAOYSA-N -1 3 231.295 2.541 20 0 BFADHM Cc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)ccc1[O-] ZINC000621044216 370078959 /nfs/dbraw/zinc/07/89/59/370078959.db2.gz PFIRUIPXVWJWJG-LBPRGKRZSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC3CC2(C)C3)c1 ZINC000621215347 370159328 /nfs/dbraw/zinc/15/93/28/370159328.db2.gz AEAANPDMLQAPOR-UHFFFAOYSA-N -1 3 245.322 2.579 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)C(C)C ZINC000623817828 371108531 /nfs/dbraw/zinc/10/85/31/371108531.db2.gz MMPPEZMSPCBVDN-LLVKDONJSA-N -1 3 235.327 2.817 20 0 BFADHM O=C([N-]c1cnoc1)c1ccc(Cl)cc1F ZINC000623941777 371169154 /nfs/dbraw/zinc/16/91/54/371169154.db2.gz GIESXGOYLZHRAF-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000624027421 371258509 /nfs/dbraw/zinc/25/85/09/371258509.db2.gz TWSJMJFTSLCERD-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000162939331 371890454 /nfs/dbraw/zinc/89/04/54/371890454.db2.gz XJIUQIVRXWIGPC-MNOVXSKESA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2C)c1 ZINC000162941420 371892391 /nfs/dbraw/zinc/89/23/91/371892391.db2.gz JCXGUEGUVHHFOS-WDEREUQCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@]1(C)CC=CCC1 ZINC000627725376 371898409 /nfs/dbraw/zinc/89/84/09/371898409.db2.gz HAQCUAHWOGPRPD-OAHLLOKOSA-N -1 3 245.322 2.929 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCCC12CC2 ZINC000633783357 373759793 /nfs/dbraw/zinc/75/97/93/373759793.db2.gz XMRXQFKJGSBAOK-LBPRGKRZSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1cc(C(=O)N[C@]23C[C@H]2CCCC3)ccc1[O-] ZINC000634094587 373962758 /nfs/dbraw/zinc/96/27/58/373962758.db2.gz NNOCHQWHTHYTJS-IUODEOHRSA-N -1 3 245.322 2.763 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@@H]1CCC(C)(C)C1 ZINC000424088183 206028534 /nfs/dbraw/zinc/02/85/34/206028534.db2.gz GKOXINZSCXTLFT-MRVPVSSYSA-N -1 3 241.360 2.674 20 0 BFADHM O=C([N-]OCC1CC1)Nc1cccc2[nH]ccc21 ZINC000292801339 182281743 /nfs/dbraw/zinc/28/17/43/182281743.db2.gz BNSUYUSTEMCOCO-UHFFFAOYSA-N -1 3 245.282 2.631 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC12CC2 ZINC000335019125 182354760 /nfs/dbraw/zinc/35/47/60/182354760.db2.gz ZXEGNYRODCNACK-QMMMGPOBSA-N -1 3 237.686 2.784 20 0 BFADHM CCCN(CC(=O)[O-])Cc1cc(C)sc1C ZINC000083411718 169099606 /nfs/dbraw/zinc/09/96/06/169099606.db2.gz LPJQUJQOZUEUNX-UHFFFAOYSA-N -1 3 241.356 2.662 20 0 BFADHM CCCN(CC)C(=O)c1cc([O-])ccc1Cl ZINC000233025832 169118055 /nfs/dbraw/zinc/11/80/55/169118055.db2.gz INKNLWXLBOVZTA-UHFFFAOYSA-N -1 3 241.718 2.918 20 0 BFADHM CCCN(CC)C(=O)c1ccc([O-])c(CC)c1 ZINC000291510330 169118787 /nfs/dbraw/zinc/11/87/87/169118787.db2.gz QFMKPDLHDRBHCC-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM [O-]c1cc(F)cc(-c2ccc(O)cc2)c1 ZINC000065339959 183264869 /nfs/dbraw/zinc/26/48/69/183264869.db2.gz PKLWUDZFPHNALB-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cc(F)cc(CNc2cncc(F)c2)c1 ZINC000302469284 183259830 /nfs/dbraw/zinc/25/98/30/183259830.db2.gz ZMBLKGCAAJVAMM-UHFFFAOYSA-N -1 3 236.221 2.678 20 0 BFADHM [O-]c1ccc(-c2cccc(O)c2)c(F)c1 ZINC000041661637 183285949 /nfs/dbraw/zinc/28/59/49/183285949.db2.gz PYVDTDGYLLMUSR-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cccc(CNCC2CCC2)c1Cl ZINC000293668362 183290029 /nfs/dbraw/zinc/29/00/29/183290029.db2.gz UPRBVZWLXUSDHU-UHFFFAOYSA-N -1 3 225.719 2.935 20 0 BFADHM [O-]c1cccc(CNCc2cccnc2)c1Cl ZINC000328296586 183290716 /nfs/dbraw/zinc/29/07/16/183290716.db2.gz CNGQRXDIJWBVHY-UHFFFAOYSA-N -1 3 248.713 2.730 20 0 BFADHM [O-]c1cccc(CN[C@@H]2C[C@H]2C(F)F)c1Cl ZINC000339399775 183290981 /nfs/dbraw/zinc/29/09/81/183290981.db2.gz KOESMUQSSQVDPC-HTQZYQBOSA-N -1 3 247.672 2.789 20 0 BFADHM O=c1[n-]c(-c2ccco2)nc2cc(F)c(F)cc12 ZINC000361404284 183306719 /nfs/dbraw/zinc/30/67/19/183306719.db2.gz RJFPRQFMVOQBLQ-UHFFFAOYSA-N -1 3 248.188 2.874 20 0 BFADHM c1n[nH]cc1[N-]c1nc(-c2ccccc2)ns1 ZINC000121359354 183385368 /nfs/dbraw/zinc/38/53/68/183385368.db2.gz PFLINUZHDSVLSJ-UHFFFAOYSA-N -1 3 243.295 2.672 20 0 BFADHM CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000082719755 169300574 /nfs/dbraw/zinc/30/05/74/169300574.db2.gz SBXNHOXFQSJNEH-UHFFFAOYSA-N -1 3 222.071 2.888 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000087777643 383864405 /nfs/dbraw/zinc/86/44/05/383864405.db2.gz ZAXCMCODIHSEQR-YPMHNXCESA-N -1 3 245.322 2.797 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087777637 383865141 /nfs/dbraw/zinc/86/51/41/383865141.db2.gz NYVWXFFCSRCVIK-FZMZJTMJSA-N -1 3 245.322 2.797 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000088707521 383918214 /nfs/dbraw/zinc/91/82/14/383918214.db2.gz LYDCPCWKLUXOEV-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1 ZINC000088707536 383918546 /nfs/dbraw/zinc/91/85/46/383918546.db2.gz KZJVMXADYJNJSX-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC2CCCC2)c1 ZINC000523322478 259648430 /nfs/dbraw/zinc/64/84/30/259648430.db2.gz PLEMTAZBQQOJBK-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CCCn1c(=O)[n-]nc1SCC1=CCCC1 ZINC000647114681 384267149 /nfs/dbraw/zinc/26/71/49/384267149.db2.gz HJSJFNIVFOXWSI-UHFFFAOYSA-N -1 3 239.344 2.596 20 0 BFADHM Cc1cc(CN(CC(=O)[O-])C(C)C)c(C)s1 ZINC000083405609 384301912 /nfs/dbraw/zinc/30/19/12/384301912.db2.gz BOUPUAHNOQDYKN-UHFFFAOYSA-N -1 3 241.356 2.660 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000148889876 384463532 /nfs/dbraw/zinc/46/35/32/384463532.db2.gz VSHOIYSVBJGWGB-TXEJJXNPSA-N -1 3 245.322 2.573 20 0 BFADHM CC(C)C(C)(C)NC(=O)c1ccccc1[O-] ZINC000561289328 384625797 /nfs/dbraw/zinc/62/57/97/384625797.db2.gz CBMWLLAQVVFRMQ-UHFFFAOYSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1ccc(C(=O)NC(C2CC2)C2CC2)c([O-])c1 ZINC000042237529 384635582 /nfs/dbraw/zinc/63/55/82/384635582.db2.gz QJYMFCNGBNKFFB-UHFFFAOYSA-N -1 3 245.322 2.619 20 0 BFADHM CCN(CC)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184782259 384645563 /nfs/dbraw/zinc/64/55/63/384645563.db2.gz UNGMTTONKZMYPA-UHFFFAOYSA-N -1 3 247.338 2.753 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC[C@H]2CC=CCC2)c1 ZINC000044569516 384658783 /nfs/dbraw/zinc/65/87/83/384658783.db2.gz LGQLWZMPDHTOFW-LBPRGKRZSA-N -1 3 245.322 2.787 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c([O-])c1 ZINC000184898892 384660581 /nfs/dbraw/zinc/66/05/81/384660581.db2.gz YKPVOJPBMDOOGY-GHMZBOCLSA-N -1 3 233.311 2.931 20 0 BFADHM CN(C[C@@H]1CC=CCC1)C(=O)c1ccccc1[O-] ZINC000336539627 384698506 /nfs/dbraw/zinc/69/85/06/384698506.db2.gz JVMFLMXYVSYDAT-GFCCVEGCSA-N -1 3 245.322 2.821 20 0 BFADHM CC(C)CCCNC(=O)c1ccccc1[O-] ZINC000063240255 384760538 /nfs/dbraw/zinc/76/05/38/384760538.db2.gz CKZAYRIDNRMSMI-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H]2C)c1 ZINC000177044204 384854083 /nfs/dbraw/zinc/85/40/83/384854083.db2.gz SAKYQFMIKKFZCN-MNOVXSKESA-N -1 3 233.311 2.571 20 0 BFADHM CC/C=C(/C)C(=O)Nc1ccccc1[O-] ZINC000127483748 384902809 /nfs/dbraw/zinc/90/28/09/384902809.db2.gz GPURUKZSUDOUQN-TWGQIWQCSA-N -1 3 205.257 2.687 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@H](C)C2)c1 ZINC000187106607 384911317 /nfs/dbraw/zinc/91/13/17/384911317.db2.gz HEGCLUPIBHJVSG-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2CC2(C)C)c([O-])c1 ZINC000128001601 384978376 /nfs/dbraw/zinc/97/83/76/384978376.db2.gz QASYSMVEYWKQDJ-SECBINFHSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCC(C)(C)C1 ZINC000094805557 384986262 /nfs/dbraw/zinc/98/62/62/384986262.db2.gz SXWGMNZNORWEGU-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CO[N-]C(=O)CCCCCc1ccc(F)cc1 ZINC000187837396 384987989 /nfs/dbraw/zinc/98/79/89/384987989.db2.gz KNMHEKAJTHJZLP-UHFFFAOYSA-N -1 3 239.290 2.606 20 0 BFADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000360470934 385009608 /nfs/dbraw/zinc/00/96/08/385009608.db2.gz AFXBBFYNUVLKJN-MWLCHTKSSA-N -1 3 249.310 2.776 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC2(CCC2)CC1 ZINC000308732139 385044126 /nfs/dbraw/zinc/04/41/26/385044126.db2.gz UUICLRMRHQNXBV-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM CCO[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000128969585 385093486 /nfs/dbraw/zinc/09/34/86/385093486.db2.gz APOMKJNGGWQQCR-LLVKDONJSA-N -1 3 221.300 2.638 20 0 BFADHM CCCCN(CC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192526518 385360892 /nfs/dbraw/zinc/36/08/92/385360892.db2.gz LBRXIJVWPVGBGW-LLVKDONJSA-N -1 3 237.347 2.674 20 0 BFADHM CCc1cc(C(=O)NC(C)(C)C2CC2)ccc1[O-] ZINC000643997196 385364567 /nfs/dbraw/zinc/36/45/67/385364567.db2.gz SXZWPSCDYANHFU-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@@H]([N-]C(=O)C(F)F)c1cc2ccccc2o1 ZINC000171356558 385478657 /nfs/dbraw/zinc/47/86/57/385478657.db2.gz BDVVIWTWMNXTDL-SSDOTTSWSA-N -1 3 239.221 2.875 20 0 BFADHM Cc1ccc(NC(=O)C2CC(F)(F)C2)c([O-])c1 ZINC000336587467 385480421 /nfs/dbraw/zinc/48/04/21/385480421.db2.gz UFVQAWIVGOADOC-UHFFFAOYSA-N -1 3 241.237 2.684 20 0 BFADHM CC(C)c1noc([N-][C@@H](C)c2cncs2)n1 ZINC000309317638 385528508 /nfs/dbraw/zinc/52/85/08/385528508.db2.gz DKLYKRNFXUPHRM-ZETCQYMHSA-N -1 3 238.316 2.823 20 0 BFADHM CSC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000293583176 385664111 /nfs/dbraw/zinc/66/41/11/385664111.db2.gz NVNXYPOCNDPRON-MRVPVSSYSA-N -1 3 245.775 2.887 20 0 BFADHM CC(C)C1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000182581668 385683413 /nfs/dbraw/zinc/68/34/13/385683413.db2.gz AVJOXCPQCBQSRI-UHFFFAOYSA-N -1 3 233.311 2.558 20 0 BFADHM O=C(CC1CCC1)N1CCCc2cccc([O-])c21 ZINC000182923153 385720953 /nfs/dbraw/zinc/72/09/53/385720953.db2.gz LTLIJCAFRRVPEJ-UHFFFAOYSA-N -1 3 245.322 2.862 20 0 BFADHM CN(CCC1CC1)Cc1c(F)ccc([O-])c1F ZINC000294350529 385839021 /nfs/dbraw/zinc/83/90/21/385839021.db2.gz SNZGDJHKFXBIGR-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM O=C(CCc1ccsc1)[N-]OC1CCCC1 ZINC000271806045 385850961 /nfs/dbraw/zinc/85/09/61/385850961.db2.gz SUORJESFSDYPJT-UHFFFAOYSA-N -1 3 239.340 2.671 20 0 BFADHM O=C(/C=C/c1ccc(F)cc1)[N-]OC1CCCC1 ZINC000271850917 385854783 /nfs/dbraw/zinc/85/47/83/385854783.db2.gz ZXCIGLVGABCFIR-JXMROGBWSA-N -1 3 249.285 2.829 20 0 BFADHM CCCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000232953634 385904074 /nfs/dbraw/zinc/90/40/74/385904074.db2.gz XNOREXWTNNJJOA-UHFFFAOYSA-N -1 3 241.718 2.918 20 0 BFADHM Cc1cc(C(=O)N2CCCC3(CC3)C2)ccc1[O-] ZINC000274566006 386121095 /nfs/dbraw/zinc/12/10/95/386121095.db2.gz DVJRRDYYSTZWOM-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C)=C[C@@H](C)C2)c1 ZINC000335072956 386066067 /nfs/dbraw/zinc/06/60/67/386066067.db2.gz JDRWQGLHEJWSJY-LLVKDONJSA-N -1 3 245.322 2.739 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC=CC[C@@H]2C)n1 ZINC000355489589 386150786 /nfs/dbraw/zinc/15/07/86/386150786.db2.gz HQRLMXIRQWFBQQ-ONGXEEELSA-N -1 3 246.310 2.636 20 0 BFADHM CSc1ccccc1NC([O-])=NOC(C)C ZINC000297347049 386246558 /nfs/dbraw/zinc/24/65/58/386246558.db2.gz CXCCQYZPVFWWHV-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM CSc1ccccc1NC(=O)[N-]OC(C)C ZINC000297347049 386246566 /nfs/dbraw/zinc/24/65/66/386246566.db2.gz CXCCQYZPVFWWHV-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM CC(C)C(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000275863979 386247235 /nfs/dbraw/zinc/24/72/35/386247235.db2.gz ZXXSUYOHCAAEOI-UHFFFAOYSA-N -1 3 235.327 2.917 20 0 BFADHM CCOc1ccccc1NC([O-])=NOC(C)C ZINC000297397087 386250965 /nfs/dbraw/zinc/25/09/65/386250965.db2.gz HRCDKTIZTSNROV-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CCOc1ccccc1NC(=O)[N-]OC(C)C ZINC000297397087 386250969 /nfs/dbraw/zinc/25/09/69/386250969.db2.gz HRCDKTIZTSNROV-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CCC1(C)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000297433999 386257154 /nfs/dbraw/zinc/25/71/54/386257154.db2.gz OULHSDQRKITHCN-UHFFFAOYSA-N -1 3 223.291 2.763 20 0 BFADHM CC(C)CON=C([O-])Nc1cccc(C2CC2)n1 ZINC000296789126 386200159 /nfs/dbraw/zinc/20/01/59/386200159.db2.gz GVPFPMRBQCAMDJ-UHFFFAOYSA-N -1 3 249.314 2.668 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cccc(C2CC2)n1 ZINC000296789126 386200165 /nfs/dbraw/zinc/20/01/65/386200165.db2.gz GVPFPMRBQCAMDJ-UHFFFAOYSA-N -1 3 249.314 2.668 20 0 BFADHM CCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000264910721 386283639 /nfs/dbraw/zinc/28/36/39/386283639.db2.gz YZPVAYDZAQGBDX-UHFFFAOYSA-N -1 3 221.300 2.608 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000188244549 386321477 /nfs/dbraw/zinc/32/14/77/386321477.db2.gz HZIFJTPGLPYAMH-MNOVXSKESA-N -1 3 247.338 2.825 20 0 BFADHM CCC1(CNC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000226718486 386371608 /nfs/dbraw/zinc/37/16/08/386371608.db2.gz JGJJSXLYCOYRIS-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CCc1ccc(C(=O)N(C)C2CCC2)c([O-])c1 ZINC000276505412 386334630 /nfs/dbraw/zinc/33/46/30/386334630.db2.gz KAFLFLBYGHYIRR-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)ccc1[O-] ZINC000227036890 386451554 /nfs/dbraw/zinc/45/15/54/386451554.db2.gz DYACDSZFJYDKBL-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(CCC1CC1)Nc1cc(F)ccc1[O-] ZINC000267333259 386528984 /nfs/dbraw/zinc/52/89/84/386528984.db2.gz JOVHDVNODMODJX-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000267345714 386529557 /nfs/dbraw/zinc/52/95/57/386529557.db2.gz ONEAWLRWIZFWCQ-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCC1(C(=O)Nc2ccc(OC)cc2[O-])CCC1 ZINC000135408869 386512704 /nfs/dbraw/zinc/51/27/04/386512704.db2.gz NEBXWLGYHKMTQE-UHFFFAOYSA-N -1 3 249.310 2.920 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)ccc1[O-] ZINC000227052168 386454398 /nfs/dbraw/zinc/45/43/98/386454398.db2.gz CFVXGLWPMHGDRL-JQWIXIFHSA-N -1 3 247.338 2.819 20 0 BFADHM CCCCN(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000291533999 386556348 /nfs/dbraw/zinc/55/63/48/386556348.db2.gz UGJTZSAMWXXUPU-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM O=C(CCC1CCCC1)[N-]OC/C=C/Cl ZINC000291716122 386572889 /nfs/dbraw/zinc/57/28/89/386572889.db2.gz DLGDOEJQUBPZAA-FPYGCLRLSA-N -1 3 231.723 2.757 20 0 BFADHM CCc1cccc(C(=O)N2[C@H](C)C[C@@H]2C)c1[O-] ZINC000526933936 386703229 /nfs/dbraw/zinc/70/32/29/386703229.db2.gz KPHQHBSSOYRCOE-AOOOYVTPSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1ccc(F)cc1NC(=O)[N-]OCC1CC1 ZINC000292749926 386718628 /nfs/dbraw/zinc/71/86/28/386718628.db2.gz JTPSJYYHZBEAOA-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM CC[C@H]1CCN1Cc1cc([O-])cc(F)c1 ZINC000292796220 386727979 /nfs/dbraw/zinc/72/79/79/386727979.db2.gz MZQOABYYZZTIPK-NSHDSACASA-N -1 3 209.264 2.516 20 0 BFADHM CC(C)(Cc1ccccc1)C(=O)[N-]OCC1CC1 ZINC000293877738 386894294 /nfs/dbraw/zinc/89/42/94/386894294.db2.gz XIGLIFABXDNXCG-UHFFFAOYSA-N -1 3 247.338 2.713 20 0 BFADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000335772745 386919495 /nfs/dbraw/zinc/91/94/95/386919495.db2.gz KUTUEAXOUBXXMZ-RKDXNWHRSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1o[n-]c(=NC(=O)c2cc(C)cc(C)c2)c1C ZINC000334856614 386909681 /nfs/dbraw/zinc/90/96/81/386909681.db2.gz QVZISSKLQCNWSV-UHFFFAOYSA-N -1 3 244.294 2.582 20 0 BFADHM CCCn1c(SC(CC)CC)n[n-]c1=O ZINC000330845207 386909979 /nfs/dbraw/zinc/90/99/79/386909979.db2.gz LIQMYAZPLCAFIF-UHFFFAOYSA-N -1 3 229.349 2.674 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1C ZINC000085828075 387111755 /nfs/dbraw/zinc/11/17/55/387111755.db2.gz WLXQCVDWQPCFQN-BDAKNGLRSA-N -1 3 223.272 2.523 20 0 BFADHM Cc1ccc(NC(=O)c2cccnc2C)c([O-])c1 ZINC000113552869 387117946 /nfs/dbraw/zinc/11/79/46/387117946.db2.gz ZZDQPOCKGXTMFU-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@H](CC1CCCC1)C(=O)Nc1ncccc1[O-] ZINC000114536694 387126226 /nfs/dbraw/zinc/12/62/26/387126226.db2.gz IDANOTDQKOPSEJ-SNVBAGLBSA-N -1 3 248.326 2.942 20 0 BFADHM CCc1cc(C(=O)N2CCC23CCC3)ccc1[O-] ZINC000336403150 387231709 /nfs/dbraw/zinc/23/17/09/387231709.db2.gz GEHVZOWNXVSHNV-UHFFFAOYSA-N -1 3 245.322 2.723 20 0 BFADHM C[C@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000336471677 387301124 /nfs/dbraw/zinc/30/11/24/387301124.db2.gz RQOCWOKGPABGQU-LBPRGKRZSA-N -1 3 245.244 2.604 20 0 BFADHM CC[C@@H](C)CCC(=O)N=c1cc2ccccn2[n-]1 ZINC000514879782 387302600 /nfs/dbraw/zinc/30/26/00/387302600.db2.gz ACPITHOHUGXCEL-LLVKDONJSA-N -1 3 245.326 2.521 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CCC2(C)C)ccc1[O-] ZINC000287069057 387361504 /nfs/dbraw/zinc/36/15/04/387361504.db2.gz KAGAORWHUSBBQZ-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H]2CC2(C)C)ccc1[O-] ZINC000336545971 387368458 /nfs/dbraw/zinc/36/84/58/387368458.db2.gz FWPVJAGAKGLMIY-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM CSc1ccccc1[N-]C(=O)c1ncoc1C ZINC000121524411 387374593 /nfs/dbraw/zinc/37/45/93/387374593.db2.gz UWDAUVXDHVBFTL-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[O-] ZINC000399532433 387552982 /nfs/dbraw/zinc/55/29/82/387552982.db2.gz HENJDUHDZTUFKT-SRVKXCTJSA-N -1 3 247.338 2.817 20 0 BFADHM C[C@@H]1[C@H](C)CN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000399525605 387553119 /nfs/dbraw/zinc/55/31/19/387553119.db2.gz FAEIKNSVIZRQSR-MXWKQRLJSA-N -1 3 233.311 2.509 20 0 BFADHM C[C@@H]1[C@H](C)CN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000399579731 387555498 /nfs/dbraw/zinc/55/54/98/387555498.db2.gz RGUUAHCONSOOIQ-MXWKQRLJSA-N -1 3 233.311 2.509 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc(C)c1[O-] ZINC000399704822 387566865 /nfs/dbraw/zinc/56/68/65/387566865.db2.gz XDAVVKAVYXFNOT-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc([O-])c(C)c1 ZINC000399709962 387567879 /nfs/dbraw/zinc/56/78/79/387567879.db2.gz YGQYUKOQZABASH-ZWNOBZJWSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1c([N-]c2nc3ccccc3o2)cnn1C ZINC000362558799 387630096 /nfs/dbraw/zinc/63/00/96/387630096.db2.gz BTDVTQAOMMIYFB-UHFFFAOYSA-N -1 3 228.255 2.613 20 0 BFADHM CC(C)CCC[S@@](=O)c1ccc([O-])cc1 ZINC000431194616 387686896 /nfs/dbraw/zinc/68/68/96/387686896.db2.gz UILQAWVUNMVVLH-OAHLLOKOSA-N -1 3 226.341 2.936 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@H](F)CC)n1 ZINC000442537073 387802279 /nfs/dbraw/zinc/80/22/79/387802279.db2.gz BBYNEUOAEVPMFC-MRVPVSSYSA-N -1 3 244.335 2.726 20 0 BFADHM CCCc1occc1C(=O)N=c1[n-]oc(C)c1C ZINC000452162214 387760694 /nfs/dbraw/zinc/76/06/94/387760694.db2.gz LMVZCRQELXWNDJ-UHFFFAOYSA-N -1 3 248.282 2.511 20 0 BFADHM CCC1(NC(=O)c2ccc(C)c(C)c2[O-])CC1 ZINC000452847399 387929603 /nfs/dbraw/zinc/92/96/03/387929603.db2.gz MKCNTKYNAOUREF-UHFFFAOYSA-N -1 3 233.311 2.681 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CCC2)c1 ZINC000325368016 387931154 /nfs/dbraw/zinc/93/11/54/387931154.db2.gz ROWOLEMNVTZAGL-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C(C)C)n1 ZINC000440304104 388039278 /nfs/dbraw/zinc/03/92/78/388039278.db2.gz OAJJJWNJTMGODX-UHFFFAOYSA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000071209719 388080758 /nfs/dbraw/zinc/08/07/58/388080758.db2.gz OYXKITICHUDCCO-ZYHUDNBSSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H]1CC(NC(=O)c2cccc([O-])c2)C[C@@H](C)C1 ZINC000084978913 388082428 /nfs/dbraw/zinc/08/24/28/388082428.db2.gz OTJBBVINNYOKTK-QWRGUYRKSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2(C)CCCC2)n1 ZINC000447638245 388084629 /nfs/dbraw/zinc/08/46/29/388084629.db2.gz WTOGFFAGPPYIKF-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC=CCC1 ZINC000085203803 388085013 /nfs/dbraw/zinc/08/50/13/388085013.db2.gz FYBZXKYHFDUOJA-VIFPVBQESA-N -1 3 235.258 2.826 20 0 BFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccccc1[O-] ZINC000448762768 388109675 /nfs/dbraw/zinc/10/96/75/388109675.db2.gz MDMMEYMFCOGABC-VWYCJHECSA-N -1 3 231.295 2.767 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@H]2CC2(C)C)c1 ZINC000490063753 388233394 /nfs/dbraw/zinc/23/33/94/388233394.db2.gz YHWFCCPXGPSFEC-LLVKDONJSA-N -1 3 247.338 2.731 20 0 BFADHM COc1ccc(NC(=O)/C=C\C(C)(C)C)c([O-])c1 ZINC000492016461 388331573 /nfs/dbraw/zinc/33/15/73/388331573.db2.gz GFTFUGNFVDULTA-FPLPWBNLSA-N -1 3 249.310 2.942 20 0 BFADHM O=C(c1cccc([O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000170215452 388270256 /nfs/dbraw/zinc/27/02/56/388270256.db2.gz UGCDGUDTLBWKLD-BETUJISGSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[O-] ZINC000226952230 388356114 /nfs/dbraw/zinc/35/61/14/388356114.db2.gz QXQUWGBZLCEFNO-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM C[C@@H]1C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000646488483 388365524 /nfs/dbraw/zinc/36/55/24/388365524.db2.gz ZUDKPKWKHPTKNU-RQJHMYQMSA-N -1 3 225.675 2.640 20 0 BFADHM CSCCCNCc1cccc([O-])c1Cl ZINC000293621519 388390942 /nfs/dbraw/zinc/39/09/42/388390942.db2.gz QJRMPZLERLMXFJ-UHFFFAOYSA-N -1 3 245.775 2.888 20 0 BFADHM CCC1(CC)CN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000294392000 388400257 /nfs/dbraw/zinc/40/02/57/388400257.db2.gz MRWITLQESZDYEB-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H]3CCC[C@H]32)ccc1[O-] ZINC000334735253 388447038 /nfs/dbraw/zinc/44/70/38/388447038.db2.gz ITCYDWLTXJSJID-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CCC2(C)C)c1[O-] ZINC000310329970 388480679 /nfs/dbraw/zinc/48/06/79/388480679.db2.gz ZYUVKQCUHFCZIE-LLVKDONJSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H]3CCC[C@@H]32)ccc1[O-] ZINC000334735252 388447669 /nfs/dbraw/zinc/44/76/69/388447669.db2.gz ITCYDWLTXJSJID-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM C[C@]1(NC(=O)c2cccc([O-])c2)CC=CCC1 ZINC000335144316 388449000 /nfs/dbraw/zinc/44/90/00/388449000.db2.gz NUIJKCSPNRIJPX-AWEZNQCLSA-N -1 3 231.295 2.621 20 0 BFADHM Cc1cc([N-]C(=O)c2csc(C3CC3)n2)no1 ZINC000194870719 388452954 /nfs/dbraw/zinc/45/29/54/388452954.db2.gz OIGFEPNPAJXEKZ-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccsc1 ZINC000649233947 388465101 /nfs/dbraw/zinc/46/51/01/388465101.db2.gz LKPPSHMYHNZXDM-UHFFFAOYSA-N -1 3 249.339 2.577 20 0 BFADHM Cc1cc2c([n-]c(-c3ccco3)nc2=O)s1 ZINC000193916882 388470241 /nfs/dbraw/zinc/47/02/41/388470241.db2.gz XLLMBYSSYBPGOP-UHFFFAOYSA-N -1 3 232.264 2.553 20 0 BFADHM C[C@@H]1CCCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000573097179 388420032 /nfs/dbraw/zinc/42/00/32/388420032.db2.gz HVUYJWGJBXJAKS-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)ccc1[O-] ZINC000272478763 177741764 /nfs/dbraw/zinc/74/17/64/177741764.db2.gz QJWAEGZPHHENTL-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(NC(=O)[C@@H](C)C(C)(F)F)c([O-])c1 ZINC000328231628 388586942 /nfs/dbraw/zinc/58/69/42/388586942.db2.gz DSKOBEWEFDAYQK-MRVPVSSYSA-N -1 3 243.253 2.930 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H](C)C2CCC2)sc1C ZINC000649311984 388598764 /nfs/dbraw/zinc/59/87/64/388598764.db2.gz ZIUMERKEPQFKQS-ZETCQYMHSA-N -1 3 238.356 2.677 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@@H]2C2CC2)c1[O-] ZINC000517294970 256823448 /nfs/dbraw/zinc/82/34/48/256823448.db2.gz KEBUFVUPJDECBJ-CYBMUJFWSA-N -1 3 245.322 2.579 20 0 BFADHM Cc1ccc2nc(-c3cc([O-])cc(F)c3)[nH]c2n1 ZINC000184590526 388579275 /nfs/dbraw/zinc/57/92/75/388579275.db2.gz AIWGMERWRXOWSR-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM C/C(Cl)=C/COc1ccc2c([O-])coc2c1 ZINC000530174221 388620544 /nfs/dbraw/zinc/62/05/44/388620544.db2.gz WGCPMJPNFVPNDZ-YWEYNIOJSA-N -1 3 238.670 2.783 20 0 BFADHM CCc1coc([N-]C(=O)c2conc2C(C)C)n1 ZINC000530266296 388641214 /nfs/dbraw/zinc/64/12/14/388641214.db2.gz HIIVPYGHNODXDW-UHFFFAOYSA-N -1 3 249.270 2.601 20 0 BFADHM Cc1cc(C(=O)NC[C@H](C)C(C)C)ccc1[O-] ZINC000227033043 388737935 /nfs/dbraw/zinc/73/79/35/388737935.db2.gz NLDYRJMDMWLTEL-NSHDSACASA-N -1 3 235.327 2.723 20 0 BFADHM CC(C)C(=O)Nc1c([O-])cccc1Cl ZINC000552436796 388708013 /nfs/dbraw/zinc/70/80/13/388708013.db2.gz YBXVSEKWCLCJGB-UHFFFAOYSA-N -1 3 213.664 2.640 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC(C)(C)CC)c1 ZINC000538747030 388718244 /nfs/dbraw/zinc/71/82/44/388718244.db2.gz WUYPFGYTSQPIQF-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226716503 388727497 /nfs/dbraw/zinc/72/74/97/388727497.db2.gz KNSNAFNFLJQVQJ-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM C/C=C/C=C/C(=O)Nc1cccc([O-])c1F ZINC000128956822 388806034 /nfs/dbraw/zinc/80/60/34/388806034.db2.gz AMSFZAPNBSQDFQ-CRBCFSCISA-N -1 3 221.231 2.602 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@H]2CC)c1[O-] ZINC000539844891 388785855 /nfs/dbraw/zinc/78/58/55/388785855.db2.gz ZIPMEIJBWDHKIY-GFCCVEGCSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC2(C)CCC2)c1 ZINC000093246206 388831643 /nfs/dbraw/zinc/83/16/43/388831643.db2.gz AILNMZBSSYIPDW-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM Cc1ccc(CC(=O)Nc2c(C)cccc2[O-])o1 ZINC000541845348 388869899 /nfs/dbraw/zinc/86/98/99/388869899.db2.gz CYYWGSUQGXTRGQ-UHFFFAOYSA-N -1 3 245.278 2.783 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000232386268 388849921 /nfs/dbraw/zinc/84/99/21/388849921.db2.gz KOARREJGYHDPKA-ZYHUDNBSSA-N -1 3 247.338 2.867 20 0 BFADHM CC(C)C(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000189287129 166741004 /nfs/dbraw/zinc/74/10/04/166741004.db2.gz NBCVJPAJDIOHNX-UHFFFAOYSA-N -1 3 235.327 2.804 20 0 BFADHM C[C@]1(C(=O)Nc2ccccc2[O-])C[C@H]2C[C@H]2C1 ZINC000335978920 134032812 /nfs/dbraw/zinc/03/28/12/134032812.db2.gz DIEIOSZICZSMSW-MSRIBSCDSA-N -1 3 231.295 2.767 20 0 BFADHM CN(Cc1ccoc1)Cc1cc([O-])cc(F)c1 ZINC000351994118 134032901 /nfs/dbraw/zinc/03/29/01/134032901.db2.gz DLECFZMXXXEQFY-UHFFFAOYSA-N -1 3 235.258 2.756 20 0 BFADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000336016263 134053231 /nfs/dbraw/zinc/05/32/31/134053231.db2.gz RZUUYOXJOGLYHE-SFYZADRCSA-N -1 3 223.247 2.516 20 0 BFADHM O=C(C1=CCCC1)N1CCCc2cccc([O-])c21 ZINC000182915329 134349910 /nfs/dbraw/zinc/34/99/10/134349910.db2.gz SYZKEHTYJDTQLU-UHFFFAOYSA-N -1 3 243.306 2.782 20 0 BFADHM O=[S@](CCc1ccccc1)c1cccc([O-])c1 ZINC000184076165 134357802 /nfs/dbraw/zinc/35/78/02/134357802.db2.gz CPXFWEGCRFHTLK-QGZVFWFLSA-N -1 3 246.331 2.743 20 0 BFADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1cccnc1 ZINC000184134059 134359022 /nfs/dbraw/zinc/35/90/22/134359022.db2.gz NXTQQIPSFWHPSN-SNVBAGLBSA-N -1 3 246.285 2.777 20 0 BFADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)nc1 ZINC000226714581 134371101 /nfs/dbraw/zinc/37/11/01/134371101.db2.gz ARZKCSAHAGXJFQ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC(C)[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000261531987 135161721 /nfs/dbraw/zinc/16/17/21/135161721.db2.gz IQLGAXCVCWEQDE-QMMMGPOBSA-N -1 3 247.747 2.600 20 0 BFADHM C[C@H](C(=O)[O-])N(C)Cc1cc2ccccc2s1 ZINC000263425139 135356940 /nfs/dbraw/zinc/35/69/40/135356940.db2.gz QGBGXRTZWIZFQI-SECBINFHSA-N -1 3 249.335 2.806 20 0 BFADHM Cc1nsc(Sc2ccc([O-])cc2)n1 ZINC000083649279 135453258 /nfs/dbraw/zinc/45/32/58/135453258.db2.gz HIPFDBMASCWNGG-UHFFFAOYSA-N -1 3 224.310 2.703 20 0 BFADHM [O-]c1cccc(CN[C@@H]2CC23CC3)c1Cl ZINC000335282815 136000701 /nfs/dbraw/zinc/00/07/01/136000701.db2.gz UTZVIIJBUOTEGX-SNVBAGLBSA-N -1 3 223.703 2.688 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCC2(C)CC2)c1 ZINC000348635354 136114117 /nfs/dbraw/zinc/11/41/17/136114117.db2.gz RSEGPHRTUNIMIS-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000221486904 398118214 /nfs/dbraw/zinc/11/82/14/398118214.db2.gz KUIVEMAICVRCCS-ZJUUUORDSA-N -1 3 249.310 2.501 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)CC2CCC2)c1 ZINC000111649476 398112506 /nfs/dbraw/zinc/11/25/06/398112506.db2.gz HUOSVFWQCGQSJS-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1cccc(C(=O)NC[C@H](C)C2CC2)c1[O-] ZINC000674360844 487565434 /nfs/dbraw/zinc/56/54/34/487565434.db2.gz WYQNKLLQAQFVTJ-JTQLQIEISA-N -1 3 247.338 2.731 20 0 BFADHM CC(C)CNCc1cccc([O-])c1Cl ZINC000294304856 167010104 /nfs/dbraw/zinc/01/01/04/167010104.db2.gz XBQSTKZIRNLLJU-UHFFFAOYSA-N -1 3 213.708 2.791 20 0 BFADHM CC(C)O[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000295501886 167273639 /nfs/dbraw/zinc/27/36/39/167273639.db2.gz GQGLKEXIEZNYRN-UHFFFAOYSA-N -1 3 235.327 2.811 20 0 BFADHM CC(C)O[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC000294299672 167277271 /nfs/dbraw/zinc/27/72/71/167277271.db2.gz ZTXDHNOBHLMOFZ-UHFFFAOYSA-N -1 3 247.338 2.564 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000651704976 411137538 /nfs/dbraw/zinc/13/75/38/411137538.db2.gz BOSBBTCFAZJSOS-MNOVXSKESA-N -1 3 246.310 2.552 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)CCC(C)C ZINC000051361556 411270771 /nfs/dbraw/zinc/27/07/71/411270771.db2.gz UQRCTJBSFMQAED-UHFFFAOYSA-N -1 3 239.315 2.764 20 0 BFADHM CCN(CC1CC1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000156218057 169810131 /nfs/dbraw/zinc/81/01/31/169810131.db2.gz FBSQVMVEQGSYCM-UHFFFAOYSA-N -1 3 247.338 2.881 20 0 BFADHM Cc1ccc(C(=O)NC2(C)CC=CC2)c([O-])c1 ZINC000654006229 411310935 /nfs/dbraw/zinc/31/09/35/411310935.db2.gz MLQAPUUMFMANED-UHFFFAOYSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1ccc2c(c1)CN(CCCCC(=O)[O-])CC2 ZINC000656757812 411353365 /nfs/dbraw/zinc/35/33/65/411353365.db2.gz BCLUVDNWBRMIDE-UHFFFAOYSA-N -1 3 247.338 2.608 20 0 BFADHM CC1(NC(=O)c2cccc([O-])c2)CCCCC1 ZINC000045047171 168061792 /nfs/dbraw/zinc/06/17/92/168061792.db2.gz NOGFIXKZJWDEGQ-UHFFFAOYSA-N -1 3 233.311 2.845 20 0 BFADHM CC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000267413733 168072364 /nfs/dbraw/zinc/07/23/64/168072364.db2.gz JIGMSTUXHFLINF-UHFFFAOYSA-N -1 3 230.267 2.884 20 0 BFADHM CCC(C)(C)NC(=O)c1ccc(C)cc1[O-] ZINC000019836969 168296043 /nfs/dbraw/zinc/29/60/43/168296043.db2.gz WNFJSLPDMHQVHT-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM O=C([O-])c1ccc2c(c1)CN(CC1CCC1)C2 ZINC000131286424 411456055 /nfs/dbraw/zinc/45/60/55/411456055.db2.gz ZFEHYSNNUTZVTE-UHFFFAOYSA-N -1 3 231.295 2.501 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CC2CC1(C)C2 ZINC000663315771 411622990 /nfs/dbraw/zinc/62/29/90/411622990.db2.gz ONVYBHYIMRUFLU-BGQFSCJGSA-N -1 3 235.283 2.523 20 0 BFADHM CC[C@@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000037023544 170721422 /nfs/dbraw/zinc/72/14/22/170721422.db2.gz NWUBPDWDOONWKN-SNVBAGLBSA-N -1 3 221.300 2.571 20 0 BFADHM CC[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000294330715 171012219 /nfs/dbraw/zinc/01/22/19/171012219.db2.gz RPRQGPQDPPVYTH-SECBINFHSA-N -1 3 241.281 2.902 20 0 BFADHM CC[C@@H]1CCN1Cc1cc([O-])cc(F)c1 ZINC000292796218 171023524 /nfs/dbraw/zinc/02/35/24/171023524.db2.gz MZQOABYYZZTIPK-LLVKDONJSA-N -1 3 209.264 2.516 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(C)ccc1[O-] ZINC000187397427 171159090 /nfs/dbraw/zinc/15/90/90/171159090.db2.gz FYKONAZJNUJVFE-DGCLKSJQSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@](C)([N-]C(=O)C(C)(F)F)c1nccs1 ZINC000293224661 171173099 /nfs/dbraw/zinc/17/30/99/171173099.db2.gz SADBXMPMEZOSCV-SECBINFHSA-N -1 3 248.298 2.540 20 0 BFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000332012957 171208404 /nfs/dbraw/zinc/20/84/04/171208404.db2.gz UELUTUKDSGLHKY-HZMBPMFUSA-N -1 3 249.310 2.776 20 0 BFADHM CC[C@H](C)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432274 171274902 /nfs/dbraw/zinc/27/49/02/171274902.db2.gz NPUVCHXXRFLDFJ-VIFPVBQESA-N -1 3 239.315 2.764 20 0 BFADHM CC[C@H](C)C[S@](=O)c1ccc([O-])cc1 ZINC000151372506 171300244 /nfs/dbraw/zinc/30/02/44/171300244.db2.gz KRXVPBMAADPCNV-LKFCYVNXSA-N -1 3 212.314 2.546 20 0 BFADHM CC[C@H](C)NCc1c(F)ccc([O-])c1F ZINC000295917797 171342478 /nfs/dbraw/zinc/34/24/78/171342478.db2.gz DTJBVIGQSPBCCC-ZETCQYMHSA-N -1 3 215.243 2.559 20 0 BFADHM CC[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000077938353 171357032 /nfs/dbraw/zinc/35/70/32/171357032.db2.gz LBHZEXNWEDMTSR-QMMMGPOBSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042559398 171388156 /nfs/dbraw/zinc/38/81/56/171388156.db2.gz UJALSZXVZDNKDR-UWVGGRQHSA-N -1 3 221.300 2.557 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000662357946 412122248 /nfs/dbraw/zinc/12/22/48/412122248.db2.gz ORHUDDSYVCKTPN-SECBINFHSA-N -1 3 249.310 2.513 20 0 BFADHM CCc1cc(C(=O)N2CC[C@@H]2CC)ccc1[O-] ZINC000294125910 171750925 /nfs/dbraw/zinc/75/09/25/171750925.db2.gz TUDIPNFTMLQUHU-LBPRGKRZSA-N -1 3 233.311 2.579 20 0 BFADHM CCn1cc([C@H](C)[N-]c2nc(C(C)C)no2)cn1 ZINC000296061825 172199387 /nfs/dbraw/zinc/19/93/87/172199387.db2.gz RGVGGAYAISWPKA-VIFPVBQESA-N -1 3 249.318 2.583 20 0 BFADHM COc1ccc(NC(=O)CC2CCCC2)c([O-])c1 ZINC000135426285 175141968 /nfs/dbraw/zinc/14/19/68/175141968.db2.gz ZHQWMWATCYXWPH-UHFFFAOYSA-N -1 3 249.310 2.920 20 0 BFADHM C[C@@H]1CCCCN(C(=O)c2cccc([O-])c2)C1 ZINC000186455412 176065590 /nfs/dbraw/zinc/06/55/90/176065590.db2.gz VWHLVNWSYXJDGK-LLVKDONJSA-N -1 3 233.311 2.654 20 0 BFADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)[C@@H]1C ZINC000051330747 176100508 /nfs/dbraw/zinc/10/05/08/176100508.db2.gz CCMZHXYVTVEYBL-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000171440647 176115240 /nfs/dbraw/zinc/11/52/40/176115240.db2.gz QLZVGIDQZJIODB-NXEZZACHSA-N -1 3 249.310 2.501 20 0 BFADHM C[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000037251108 176143005 /nfs/dbraw/zinc/14/30/05/176143005.db2.gz LVLLKKINOFSAGV-MNOVXSKESA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@@H](C)C1 ZINC000182891263 176163551 /nfs/dbraw/zinc/16/35/51/176163551.db2.gz CSOMQRJKKLKCSZ-NEPJUHHUSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000042869249 177079709 /nfs/dbraw/zinc/07/97/09/177079709.db2.gz JBVUDHVNULIJQW-WCQYABFASA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc([O-])c1 ZINC000050566610 177095482 /nfs/dbraw/zinc/09/54/82/177095482.db2.gz DSCIXLNOTYOPTE-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000050566612 177095530 /nfs/dbraw/zinc/09/55/30/177095530.db2.gz DSCIXLNOTYOPTE-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000019839882 177131399 /nfs/dbraw/zinc/13/13/99/177131399.db2.gz HJKVTEBBFDIQMM-QWRGUYRKSA-N -1 3 233.311 2.795 20 0 BFADHM C[C@H]1CCC[C@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000036926583 177132634 /nfs/dbraw/zinc/13/26/34/177132634.db2.gz JZVZOLGYLSSEQJ-UWVGGRQHSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000088707531 177182635 /nfs/dbraw/zinc/18/26/35/177182635.db2.gz APFVVMJNCCPJNG-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)C[C@@H](C)C1 ZINC000182891283 177309508 /nfs/dbraw/zinc/30/95/08/177309508.db2.gz CSOMQRJKKLKCSZ-RYUDHWBXSA-N -1 3 247.338 2.900 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C\C1CC1 ZINC000492470154 226003444 /nfs/dbraw/zinc/00/34/44/226003444.db2.gz GRNYEHYWJGVGOE-FPLPWBNLSA-N -1 3 217.268 2.605 20 0 BFADHM O=C(/C=C/c1ccccc1)[N-]OC/C=C/Cl ZINC000493238235 226163572 /nfs/dbraw/zinc/16/35/72/226163572.db2.gz KCJUDRPKEFQEKV-UQZXCRFKSA-N -1 3 237.686 2.500 20 0 BFADHM CC[C@@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612418 487670385 /nfs/dbraw/zinc/67/03/85/487670385.db2.gz XUMPSFJMSLPQTF-BXUZGUMPSA-N -1 3 247.338 2.717 20 0 BFADHM C[C@H]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000195621958 229168247 /nfs/dbraw/zinc/16/82/47/229168247.db2.gz MJPPOIUAKCPTAP-RYUDHWBXSA-N -1 3 247.338 2.948 20 0 BFADHM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000397156491 262836310 /nfs/dbraw/zinc/83/63/10/262836310.db2.gz OPCAHBXMHPLBHX-TZMCWYRMSA-N -1 3 233.311 2.557 20 0 BFADHM O=C(c1ccccc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665676746 487722046 /nfs/dbraw/zinc/72/20/46/487722046.db2.gz GATPOTWHJNWVSI-LBPRGKRZSA-N -1 3 245.322 2.654 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CC12CCC2 ZINC000675408141 487723525 /nfs/dbraw/zinc/72/35/25/487723525.db2.gz IUKPJUZEMWBVEM-VIFPVBQESA-N -1 3 217.268 2.521 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C1C(C)(C)C1(C)C ZINC000794871755 586052346 /nfs/dbraw/zinc/05/23/46/586052346.db2.gz RWAPUQPMHSQZDX-VIFPVBQESA-N -1 3 227.348 2.763 20 0 BFADHM CC(=O)C(C)(C)CCC(=O)Nc1ccccc1[O-] ZINC000676474625 487853270 /nfs/dbraw/zinc/85/32/70/487853270.db2.gz NRESGQGBPRWLBF-UHFFFAOYSA-N -1 3 249.310 2.726 20 0 BFADHM C[C@@H](CC(=O)Nc1ccccc1[O-])[C@H]1CCCO1 ZINC000666920950 487905740 /nfs/dbraw/zinc/90/57/40/487905740.db2.gz IUJMWMNPGHNUIS-GXFFZTMASA-N -1 3 249.310 2.536 20 0 BFADHM O=C(c1ccccc1[O-])N(C1CC1)C1CCCC1 ZINC000533871287 322973807 /nfs/dbraw/zinc/97/38/07/322973807.db2.gz DRSBGYWCUHMCHE-UHFFFAOYSA-N -1 3 245.322 2.939 20 0 BFADHM C[C@@H]1CCN(c2ccncc2C(=O)[O-])CC1(C)C ZINC000563213736 323102896 /nfs/dbraw/zinc/10/28/96/323102896.db2.gz MCRUFWHCOPISQF-SNVBAGLBSA-N -1 3 248.326 2.652 20 0 BFADHM C[C@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000563279321 323107858 /nfs/dbraw/zinc/10/78/58/323107858.db2.gz RPOGYSMVDKRDQM-VIFPVBQESA-N -1 3 239.340 2.821 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@H]2C=CCCC2)c1 ZINC000531821860 323114669 /nfs/dbraw/zinc/11/46/69/323114669.db2.gz GPJFOWGNHSQUCK-LBPRGKRZSA-N -1 3 245.322 2.793 20 0 BFADHM Cc1ccc(C(=O)N[C@@H](C)C2CC2)c([O-])c1C ZINC000048397583 323153436 /nfs/dbraw/zinc/15/34/36/323153436.db2.gz MZFCFMXXCXILOI-JTQLQIEISA-N -1 3 233.311 2.537 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)ccc1[O-] ZINC000397258646 323301160 /nfs/dbraw/zinc/30/11/60/323301160.db2.gz YOTUXLLSEDRGID-HIFRSBDPSA-N -1 3 247.338 2.865 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000161722621 323562274 /nfs/dbraw/zinc/56/22/74/323562274.db2.gz DIRWSDYTXIEGDR-GHMZBOCLSA-N -1 3 233.311 2.714 20 0 BFADHM [O-]c1ccc(F)c(CNCC2CC=CC2)c1F ZINC000529641350 324369917 /nfs/dbraw/zinc/36/99/17/324369917.db2.gz QQNOKRWQTMEBKG-UHFFFAOYSA-N -1 3 239.265 2.726 20 0 BFADHM O=C(C[C@H]1C=CCC1)Nc1cccc([O-])c1F ZINC000128294741 324820510 /nfs/dbraw/zinc/82/05/10/324820510.db2.gz URLZAJWXWYPJAH-VIFPVBQESA-N -1 3 235.258 2.826 20 0 BFADHM CCc1cccc(C(=O)NC(CC)CC)c1[O-] ZINC000539848756 324870802 /nfs/dbraw/zinc/87/08/02/324870802.db2.gz UMWSFOMJFYWSHL-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC000682450302 487965849 /nfs/dbraw/zinc/96/58/49/487965849.db2.gz TVZFQBGRUSLTHT-JTQLQIEISA-N -1 3 235.327 2.873 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000071209694 325061269 /nfs/dbraw/zinc/06/12/69/325061269.db2.gz YJZBIXVEJDTISV-JQWIXIFHSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C)c1[O-] ZINC000071209715 325061360 /nfs/dbraw/zinc/06/13/60/325061360.db2.gz MWEWCZMNGJUVNS-BXKDBHETSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C)c1 ZINC000071209693 325061521 /nfs/dbraw/zinc/06/15/21/325061521.db2.gz YJZBIXVEJDTISV-CMPLNLGQSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C)C2)c1 ZINC000132934843 325254917 /nfs/dbraw/zinc/25/49/17/325254917.db2.gz MOWVTYOIAHEETM-GXSJLCMTSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C)C2)c1 ZINC000132935333 325255343 /nfs/dbraw/zinc/25/53/43/325255343.db2.gz MOWVTYOIAHEETM-KOLCDFICSA-N -1 3 233.311 2.619 20 0 BFADHM c1coc(C[N-]c2nnc(-c3ccco3)o2)c1 ZINC000134424177 325358010 /nfs/dbraw/zinc/35/80/10/325358010.db2.gz MTGXDVJJQOHQEK-UHFFFAOYSA-N -1 3 231.211 2.535 20 0 BFADHM CCO[N-]C(=O)/C=C/c1cc2ccccc2o1 ZINC000078358623 325416095 /nfs/dbraw/zinc/41/60/95/325416095.db2.gz KJVICFAQYKHJHE-BQYQJAHWSA-N -1 3 231.251 2.514 20 0 BFADHM CC[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000037083575 488022089 /nfs/dbraw/zinc/02/20/89/488022089.db2.gz HEJWRQHECLLQOM-LLVKDONJSA-N -1 3 237.299 2.742 20 0 BFADHM CC(C)c1csc([N-]C(=O)c2cnco2)n1 ZINC000677520881 488063968 /nfs/dbraw/zinc/06/39/68/488063968.db2.gz INKRLGINPWMFDB-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM [O-]c1cccc(CN2CC[C@H]3C[C@H]3C2)c1Cl ZINC000668678531 488104942 /nfs/dbraw/zinc/10/49/42/488104942.db2.gz LEWHBDFYYZDSMD-ONGXEEELSA-N -1 3 237.730 2.887 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@@H](C)C2)c1[O-] ZINC000673921432 487478904 /nfs/dbraw/zinc/47/89/04/487478904.db2.gz XXOBHKATOYSMKH-LLVKDONJSA-N -1 3 247.338 2.827 20 0 BFADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)c1ccco1 ZINC000679920249 487488669 /nfs/dbraw/zinc/48/86/69/487488669.db2.gz LQGAGJJOFXFILO-MRVPVSSYSA-N -1 3 249.241 2.867 20 0 BFADHM CC[C@]1(C)CCN(Cc2occc2C(=O)[O-])C1 ZINC000399504488 487488644 /nfs/dbraw/zinc/48/86/44/487488644.db2.gz YXONVSTZHBAWPU-CYBMUJFWSA-N -1 3 237.299 2.600 20 0 BFADHM Cc1nc(C(=O)Nc2ccccc2[O-])sc1C ZINC000683533030 488189573 /nfs/dbraw/zinc/18/95/73/488189573.db2.gz TURVESRKJAXOIT-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CC[C@@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227029672 488194457 /nfs/dbraw/zinc/19/44/57/488194457.db2.gz XUMPSFJMSLPQTF-RISCZKNCSA-N -1 3 247.338 2.717 20 0 BFADHM CCc1cccc(C(=O)N[C@H]2CCC[C@H]2C)c1[O-] ZINC000678311098 488239998 /nfs/dbraw/zinc/23/99/98/488239998.db2.gz WPLNBFJBINHODO-MFKMUULPSA-N -1 3 247.338 2.873 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CCn1cccc1 ZINC000679320826 488335407 /nfs/dbraw/zinc/33/54/07/488335407.db2.gz PYFPXNJVGLCFFD-UHFFFAOYSA-N -1 3 244.294 2.531 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1C ZINC000335052039 491094696 /nfs/dbraw/zinc/09/46/96/491094696.db2.gz ITBIWYNRJJQDMZ-ZDUSSCGKSA-N -1 3 247.338 2.880 20 0 BFADHM CC(=O)c1cccc(NC(=O)C2CCCC2)c1[O-] ZINC000336143686 534890576 /nfs/dbraw/zinc/89/05/76/534890576.db2.gz RRJHKEYZWASYHR-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM C/C=C(/C=C/C(=O)[N-]OCc1cccnc1)CC ZINC000493729048 527554357 /nfs/dbraw/zinc/55/43/57/527554357.db2.gz SXBKONWCEDYCIK-PMALDYNDSA-N -1 3 246.310 2.542 20 0 BFADHM CC(C)(C)CCO[N-]C(=O)/C=C\c1ccc[nH]1 ZINC000492831434 527670897 /nfs/dbraw/zinc/67/08/97/527670897.db2.gz BCPWQQUMFRJTHV-SREVYHEPSA-N -1 3 236.315 2.512 20 0 BFADHM CCOC([O-])=NOCCc1ccccc1Cl ZINC000496874457 529084190 /nfs/dbraw/zinc/08/41/90/529084190.db2.gz WMDXJXGPRRDRBI-UHFFFAOYSA-N -1 3 243.690 2.560 20 0 BFADHM CCOC(=O)[N-]OCCc1ccccc1Cl ZINC000496874457 529084193 /nfs/dbraw/zinc/08/41/93/529084193.db2.gz WMDXJXGPRRDRBI-UHFFFAOYSA-N -1 3 243.690 2.560 20 0 BFADHM CC[C@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226987176 536144346 /nfs/dbraw/zinc/14/43/46/536144346.db2.gz FGRYAKGFDJWSML-JTQLQIEISA-N -1 3 221.300 2.571 20 0 BFADHM COc1ccc(NC(=O)CCC2CC2)c([O-])c1 ZINC000442703420 537826259 /nfs/dbraw/zinc/82/62/59/537826259.db2.gz HHENECQHYOAWCR-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM CCOc1cc(=NOC[C@@H](C)CC)[n-]c(C)n1 ZINC000853642288 588751629 /nfs/dbraw/zinc/75/16/29/588751629.db2.gz JGYFIRWQWBWOEE-VIFPVBQESA-N -1 3 239.319 2.573 20 0 BFADHM CCOc1cc(=NOC[C@@H](C)CC)nc(C)[n-]1 ZINC000853642288 588751630 /nfs/dbraw/zinc/75/16/30/588751630.db2.gz JGYFIRWQWBWOEE-VIFPVBQESA-N -1 3 239.319 2.573 20 0 BFADHM CC(C)(C)CC(=O)[N-]OCC1(C)CCC1 ZINC000853705764 588758129 /nfs/dbraw/zinc/75/81/29/588758129.db2.gz CQTWMYCQXNWLBK-UHFFFAOYSA-N -1 3 213.321 2.661 20 0 BFADHM CCC(CC)CC(=O)[N-]Oc1ccccc1 ZINC000854535937 588791301 /nfs/dbraw/zinc/79/13/01/588791301.db2.gz AZCGZKXCYKZEHW-UHFFFAOYSA-N -1 3 221.300 2.923 20 0 BFADHM CS[C@H](C)CCC(=O)[N-]Oc1ccccc1 ZINC000854537410 588791699 /nfs/dbraw/zinc/79/16/99/588791699.db2.gz SYCJTDMSBLKXSX-SNVBAGLBSA-N -1 3 239.340 2.628 20 0 BFADHM CC/C(C)=C(/C)C(=O)[N-]Oc1ccccc1 ZINC000854537371 588791813 /nfs/dbraw/zinc/79/18/13/588791813.db2.gz RYKHBQQWPFODQT-KHPPLWFESA-N -1 3 219.284 2.843 20 0 BFADHM CSCCCCC(=O)[N-]Oc1ccccc1 ZINC000854538549 588792081 /nfs/dbraw/zinc/79/20/81/588792081.db2.gz IFCNNOSSULHVBZ-UHFFFAOYSA-N -1 3 239.340 2.630 20 0 BFADHM Cc1ccc([C@@H]2C[C@H]2C(=O)[N-]OC(C)C)cc1C ZINC000854754816 588805634 /nfs/dbraw/zinc/80/56/34/588805634.db2.gz VTUKDRDDKXQEHU-UONOGXRCSA-N -1 3 247.338 2.863 20 0 BFADHM CCCCOC(=O)c1ccc([O-])c(C)c1 ZINC000201522276 582523688 /nfs/dbraw/zinc/52/36/88/582523688.db2.gz HICOSYQDLYAVSM-UHFFFAOYSA-N -1 3 208.257 2.658 20 0 BFADHM CCCO[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000844084219 582568542 /nfs/dbraw/zinc/56/85/42/582568542.db2.gz GWQHXCXXBPTIFC-WDEREUQCSA-N -1 3 213.321 2.661 20 0 BFADHM O=C(/C=C/c1cccs1)[N-]OCC1CCC1 ZINC000856341591 588867632 /nfs/dbraw/zinc/86/76/32/588867632.db2.gz GIBZTAXMADXMOS-VOTSOKGWSA-N -1 3 237.324 2.609 20 0 BFADHM Cc1cc(NC([O-])=NOC2CCCC2)ccc1N ZINC000850774934 582931102 /nfs/dbraw/zinc/93/11/02/582931102.db2.gz ABAYWPFRNQEKQC-UHFFFAOYSA-N -1 3 249.314 2.573 20 0 BFADHM Cc1cc(NC(=O)[N-]OC2CCCC2)ccc1N ZINC000850774934 582931103 /nfs/dbraw/zinc/93/11/03/582931103.db2.gz ABAYWPFRNQEKQC-UHFFFAOYSA-N -1 3 249.314 2.573 20 0 BFADHM COc1ccc(NC(=O)C[C@H]2C=CCC2)c([O-])c1 ZINC000135410519 582966830 /nfs/dbraw/zinc/96/68/30/582966830.db2.gz GGRMJKJJGBGOKW-JTQLQIEISA-N -1 3 247.294 2.696 20 0 BFADHM C/C(=C\c1ccco1)C(=O)[N-]OCC1CCC1 ZINC000856341870 588867756 /nfs/dbraw/zinc/86/77/56/588867756.db2.gz KYTOQOPCWBLIHU-CSKARUKUSA-N -1 3 235.283 2.531 20 0 BFADHM C[Si](C)(C)CCCC(=O)[N-]OCC1CCC1 ZINC000856352938 588870495 /nfs/dbraw/zinc/87/04/95/588870495.db2.gz SXDLBUDVXMOVIA-UHFFFAOYSA-N -1 3 243.423 2.953 20 0 BFADHM O=C(CCc1ccsc1)[N-]OCC1CCC1 ZINC000856343340 588868277 /nfs/dbraw/zinc/86/82/77/588868277.db2.gz FDHFCKCZFPPDLP-UHFFFAOYSA-N -1 3 239.340 2.529 20 0 BFADHM CCCC1(C(=O)[N-]OCC2CCC2)CCC1 ZINC000856348165 588869256 /nfs/dbraw/zinc/86/92/56/588869256.db2.gz RSMYKFKTTFTNON-UHFFFAOYSA-N -1 3 225.332 2.805 20 0 BFADHM Cc1nc(NCC(C)(C)CC(F)F)cc(=O)[n-]1 ZINC000895134064 583601547 /nfs/dbraw/zinc/60/15/47/583601547.db2.gz UJMUVCGABZYDCO-UHFFFAOYSA-N -1 3 245.273 2.584 20 0 BFADHM C[C@H](NCc1cc([O-])cc(Cl)c1)C(F)F ZINC000896038233 583766299 /nfs/dbraw/zinc/76/62/99/583766299.db2.gz MTBCYPRHSSMUMF-LURJTMIESA-N -1 3 235.661 2.789 20 0 BFADHM [O-]c1ccc(-c2noc(C3(C4CC4)CC3)n2)cc1 ZINC000896164199 583776658 /nfs/dbraw/zinc/77/66/58/583776658.db2.gz FRFUYCSSYBYBGY-UHFFFAOYSA-N -1 3 242.278 2.884 20 0 BFADHM CO[C@@H](C)[C@H](C)N[C@H](C)c1cccc([O-])c1F ZINC000872064912 583944912 /nfs/dbraw/zinc/94/49/12/583944912.db2.gz PCUXKQSGZOKGHG-AEJSXWLSSA-N -1 3 241.306 2.605 20 0 BFADHM O=C(CCCCc1ccccc1)[N-]OC1CCC1 ZINC000897815558 584047472 /nfs/dbraw/zinc/04/74/72/584047472.db2.gz ASWWPVRWHSIPOT-UHFFFAOYSA-N -1 3 247.338 3.000 20 0 BFADHM CC(C)C[C@@H]1C[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872569083 584126080 /nfs/dbraw/zinc/12/60/80/584126080.db2.gz ANXBJSBYVRCFKR-HTQZYQBOSA-N -1 3 241.722 2.682 20 0 BFADHM CO[C@@H](CO[N-]C(=O)CC(C)(C)C)CC(C)C ZINC000842060987 584129750 /nfs/dbraw/zinc/12/97/50/584129750.db2.gz FWDYHJKRBWJPRF-LLVKDONJSA-N -1 3 245.363 2.532 20 0 BFADHM CCCCCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898572087 584141894 /nfs/dbraw/zinc/14/18/94/584141894.db2.gz RTQBYRZGYWGELA-UHFFFAOYSA-N -1 3 225.263 2.816 20 0 BFADHM CC(C)(C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000898572563 584142389 /nfs/dbraw/zinc/14/23/89/584142389.db2.gz ZGHLXNULMRNMII-UHFFFAOYSA-N -1 3 225.263 2.672 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]Oc1ccc(F)cc1 ZINC000898574046 584142569 /nfs/dbraw/zinc/14/25/69/584142569.db2.gz FJEHYDMKXUQPPE-SECBINFHSA-N -1 3 225.263 2.672 20 0 BFADHM O=C(C[C@@H]1C=CCCC1)[N-]Oc1ccc(F)cc1 ZINC000898574015 584142779 /nfs/dbraw/zinc/14/27/79/584142779.db2.gz DFHSPNLETMJITB-LLVKDONJSA-N -1 3 249.285 2.982 20 0 BFADHM C[C@@H]1CCCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000901417390 584441301 /nfs/dbraw/zinc/44/13/01/584441301.db2.gz ONHABTXKCIPBKN-JMEBYUIHSA-N -1 3 249.310 2.609 20 0 BFADHM CCN(Cc1ccc(/C=C\C(=O)[O-])o1)CC1CC1 ZINC000901432610 584444833 /nfs/dbraw/zinc/44/48/33/584444833.db2.gz ZHUMRFMMLPVJSF-FPLPWBNLSA-N -1 3 249.310 2.609 20 0 BFADHM CCC[C@H](C)CNCc1cc(C(=O)[O-])co1 ZINC000901954456 584508266 /nfs/dbraw/zinc/50/82/66/584508266.db2.gz OBEFCVOWERDFAH-VIFPVBQESA-N -1 3 225.288 2.504 20 0 BFADHM O=C([O-])/C=C\c1ccc(CNC2CCCCC2)o1 ZINC000902047065 584516360 /nfs/dbraw/zinc/51/63/60/584516360.db2.gz AENYERFBEWIAPU-HJWRWDBZSA-N -1 3 249.310 2.800 20 0 BFADHM O=C([O-])/C=C\c1ccc(CNCC2CCCC2)o1 ZINC000902136764 584526500 /nfs/dbraw/zinc/52/65/00/584526500.db2.gz UOMLPURGHQGECP-FPLPWBNLSA-N -1 3 249.310 2.657 20 0 BFADHM CCc1oc(CN(C)CC(C)C)cc1C(=O)[O-] ZINC000902196436 584536707 /nfs/dbraw/zinc/53/67/07/584536707.db2.gz MKVWTEVBPJXNDM-UHFFFAOYSA-N -1 3 239.315 2.628 20 0 BFADHM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)C1CCC1 ZINC000902261736 584545360 /nfs/dbraw/zinc/54/53/60/584545360.db2.gz BNRPVLBVHINYCW-QROSGCPLSA-N -1 3 249.310 2.656 20 0 BFADHM CCC[C@H](C)CCNCc1cc(C(=O)[O-])co1 ZINC000902507256 584622205 /nfs/dbraw/zinc/62/22/05/584622205.db2.gz QNVQPAMLGWISNK-JTQLQIEISA-N -1 3 239.315 2.894 20 0 BFADHM CCCN(Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902527778 584632679 /nfs/dbraw/zinc/63/26/79/584632679.db2.gz KEMMKDMTWYDVIX-BQYQJAHWSA-N -1 3 249.310 2.752 20 0 BFADHM C[C@H](NC/C=C\Cl)c1cc([O-])cc(F)c1 ZINC000903445472 584769545 /nfs/dbraw/zinc/76/95/45/584769545.db2.gz UJURQAPDZCHWAR-KZUAUGPASA-N -1 3 229.682 2.934 20 0 BFADHM CC[C@@H](C)[C@@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000903591725 584784936 /nfs/dbraw/zinc/78/49/36/584784936.db2.gz TUBHDKNGCXJJOL-KOLCDFICSA-N -1 3 241.356 2.679 20 0 BFADHM C/C(=C\CN(C)Cc1c(C)cccc1C)C(=O)[O-] ZINC000903946204 584829777 /nfs/dbraw/zinc/82/97/77/584829777.db2.gz CICOIEJJWNJHIB-MDWZMJQESA-N -1 3 247.338 2.766 20 0 BFADHM CC[C@@H](CC(C)C)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819781450 585007921 /nfs/dbraw/zinc/00/79/21/585007921.db2.gz OKBDSDNLKRBINV-ZJUUUORDSA-N -1 3 242.388 2.666 20 0 BFADHM CCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736664447 585008808 /nfs/dbraw/zinc/00/88/08/585008808.db2.gz LCYTZWOTHZCYIV-MRVPVSSYSA-N -1 3 234.328 2.681 20 0 BFADHM CCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736664447 585008809 /nfs/dbraw/zinc/00/88/09/585008809.db2.gz LCYTZWOTHZCYIV-MRVPVSSYSA-N -1 3 234.328 2.681 20 0 BFADHM C[Si](C)(C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738228116 585041918 /nfs/dbraw/zinc/04/19/18/585041918.db2.gz MXJBCCFQTPGVFI-UHFFFAOYSA-N -1 3 249.386 2.578 20 0 BFADHM CC(C)=CCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838146404 585047215 /nfs/dbraw/zinc/04/72/15/585047215.db2.gz RVUBVLXVGMJQRU-UHFFFAOYSA-N -1 3 238.258 2.583 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)s1 ZINC000742219591 585123242 /nfs/dbraw/zinc/12/32/42/585123242.db2.gz CAFHTRJEBCRABF-PLNGDYQASA-N -1 3 218.281 2.723 20 0 BFADHM O=c1ccnc(C=Cc2ccc(F)c(F)c2)[n-]1 ZINC000742221810 585123409 /nfs/dbraw/zinc/12/34/09/585123409.db2.gz UCFUQWPSZJTRQK-RQOWECAXSA-N -1 3 234.205 2.631 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1C ZINC000742221806 585123512 /nfs/dbraw/zinc/12/35/12/585123512.db2.gz UBVXINNHNMNFFL-AATRIKPKSA-N -1 3 226.279 2.969 20 0 BFADHM CCOc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000742222036 585123556 /nfs/dbraw/zinc/12/35/56/585123556.db2.gz YCUWSLLFGMTFIG-BQYQJAHWSA-N -1 3 242.278 2.751 20 0 BFADHM O=c1ccnc(C=CC=Cc2ccc(F)cc2)[n-]1 ZINC000747694221 585182543 /nfs/dbraw/zinc/18/25/43/585182543.db2.gz VLJNKYPAHMWMPX-HSFFGMMNSA-N -1 3 242.253 2.636 20 0 BFADHM CCO[N-]C(=O)CCCCCC(C)C ZINC000747905632 585185614 /nfs/dbraw/zinc/18/56/14/585185614.db2.gz HJFCBQCRSRUHBH-UHFFFAOYSA-N -1 3 201.310 2.661 20 0 BFADHM CC(C)CO[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000750008518 585209252 /nfs/dbraw/zinc/20/92/52/585209252.db2.gz UVAACMUHEYTWNP-VXGBXAGGSA-N -1 3 227.348 2.907 20 0 BFADHM CC(C)CO[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000750008517 585209308 /nfs/dbraw/zinc/20/93/08/585209308.db2.gz UVAACMUHEYTWNP-RYUDHWBXSA-N -1 3 227.348 2.907 20 0 BFADHM O=C(O[C@H]1C=CCCC1)c1ccc(F)cc1[O-] ZINC000750164742 585211636 /nfs/dbraw/zinc/21/16/36/585211636.db2.gz JXTGJUIWBHJSNJ-JTQLQIEISA-N -1 3 236.242 2.797 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@@H]3C[C@@H]32)c1 ZINC000859216724 589020198 /nfs/dbraw/zinc/02/01/98/589020198.db2.gz LYYSXAOKYOWIJQ-PELKAZGASA-N -1 3 223.703 2.640 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)nc2)n1 ZINC000752881220 585251202 /nfs/dbraw/zinc/25/12/02/585251202.db2.gz KKZMWHJEJNLHRJ-HYXAFXHYSA-N -1 3 247.685 2.709 20 0 BFADHM CCO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000754359338 585283088 /nfs/dbraw/zinc/28/30/88/585283088.db2.gz SMQQCXKPWRQTCC-SECBINFHSA-N -1 3 201.310 2.517 20 0 BFADHM Cc1ccc(F)c(C(=O)[N-]c2ccon2)c1F ZINC000755771685 585306755 /nfs/dbraw/zinc/30/67/55/585306755.db2.gz YRVMJNOWNNORLE-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM CC(C)CO[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839709966 585337879 /nfs/dbraw/zinc/33/78/79/585337879.db2.gz KPPIOAHWYGGTDB-HIFRSBDPSA-N -1 3 247.338 2.884 20 0 BFADHM CCC/C=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000758076383 585349021 /nfs/dbraw/zinc/34/90/21/585349021.db2.gz HCFWISKDSFHTON-AATRIKPKSA-N -1 3 219.284 2.995 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OCC1CCC1 ZINC000758512591 585356618 /nfs/dbraw/zinc/35/66/18/585356618.db2.gz BCDQMUPSISTORE-UHFFFAOYSA-N -1 3 220.268 2.658 20 0 BFADHM CC[C@@H](C)COC(=O)c1ccc([O-])cc1C ZINC000758530215 585357048 /nfs/dbraw/zinc/35/70/48/585357048.db2.gz JSLPZXQUUQWVLY-SECBINFHSA-N -1 3 222.284 2.904 20 0 BFADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCC(F)F)C1(C)C ZINC000759330303 585367704 /nfs/dbraw/zinc/36/77/04/585367704.db2.gz BWQOLTVWMYGIEU-WCBMZHEXSA-N -1 3 247.285 2.538 20 0 BFADHM CC1(C)CCC[C@@H](CC(=O)[N-]OCC(F)F)C1 ZINC000759330234 585367776 /nfs/dbraw/zinc/36/77/76/585367776.db2.gz ASILFHJAACLQPO-VIFPVBQESA-N -1 3 249.301 2.906 20 0 BFADHM O=C(CCCC1CCCC1)[N-]OCC(F)F ZINC000759333906 585368159 /nfs/dbraw/zinc/36/81/59/585368159.db2.gz GCEXIQIEMFAYAT-UHFFFAOYSA-N -1 3 235.274 2.660 20 0 BFADHM CCCC[C@@H](CC)CC(=O)[N-]OCC(F)F ZINC000759333655 585368252 /nfs/dbraw/zinc/36/82/52/585368252.db2.gz BOYSRVLVWNXQEO-SECBINFHSA-N -1 3 237.290 2.906 20 0 BFADHM CC1(C)CCC(CC(=O)[N-]OCC(F)F)CC1 ZINC000759351907 585371029 /nfs/dbraw/zinc/37/10/29/585371029.db2.gz PWAHHDWCTUYIIT-UHFFFAOYSA-N -1 3 249.301 2.906 20 0 BFADHM CS/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759696044 585378750 /nfs/dbraw/zinc/37/87/50/585378750.db2.gz GIRJZBUHIRZAAV-PLNGDYQASA-N -1 3 243.715 2.861 20 0 BFADHM Cc1cc(C)cc(NC([O-])=NOCC(F)F)c1 ZINC000759928294 585383028 /nfs/dbraw/zinc/38/30/28/585383028.db2.gz RWJCAKSVDUKHKD-UHFFFAOYSA-N -1 3 244.241 2.622 20 0 BFADHM Cc1cc(C)cc(NC(=O)[N-]OCC(F)F)c1 ZINC000759928294 585383029 /nfs/dbraw/zinc/38/30/29/585383029.db2.gz RWJCAKSVDUKHKD-UHFFFAOYSA-N -1 3 244.241 2.622 20 0 BFADHM CCO[N-]C(=O)Nc1cc(CC)ccc1CC ZINC000759988216 585383920 /nfs/dbraw/zinc/38/39/20/585383920.db2.gz QKWCGYAVDHAPDI-UHFFFAOYSA-N -1 3 236.315 2.884 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccc[nH]2)c1 ZINC000760727370 585396337 /nfs/dbraw/zinc/39/63/37/585396337.db2.gz MZXRMDWKZIUQRF-SNVBAGLBSA-N -1 3 244.294 2.520 20 0 BFADHM Cc1cc(F)ccc1C=Cc1nccc(=O)[n-]1 ZINC000764436304 585465702 /nfs/dbraw/zinc/46/57/02/585465702.db2.gz RWTYBDLACXOYON-HYXAFXHYSA-N -1 3 230.242 2.800 20 0 BFADHM CC/C=C\CCOC(=O)c1ccc([O-])cc1O ZINC000767431493 585519940 /nfs/dbraw/zinc/51/99/40/585519940.db2.gz WRNLWJPMYUKANT-ARJAWSKDSA-N -1 3 236.267 2.611 20 0 BFADHM CCC/C=C/C(=O)NCc1ccc([O-])c(F)c1 ZINC000769554721 585559261 /nfs/dbraw/zinc/55/92/61/585559261.db2.gz DNOJCBZPPAJMAR-SNAWJCMRSA-N -1 3 237.274 2.504 20 0 BFADHM CCCCC[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000769688198 585561626 /nfs/dbraw/zinc/56/16/26/585561626.db2.gz IVZHUXWKIXNENI-MRVPVSSYSA-N -1 3 242.344 2.547 20 0 BFADHM C[C@@H](CC(C)(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000772654479 585619953 /nfs/dbraw/zinc/61/99/53/585619953.db2.gz AQGQHQXBIQNDJJ-QWRGUYRKSA-N -1 3 243.347 2.633 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1(F)CCCC1 ZINC000773590460 585641028 /nfs/dbraw/zinc/64/10/28/585641028.db2.gz VXAWDSLLGYKECB-UHFFFAOYSA-N -1 3 237.274 2.921 20 0 BFADHM CC(=O)[N-]OCc1cccc(Cl)c1Cl ZINC000774819925 585666944 /nfs/dbraw/zinc/66/69/44/585666944.db2.gz DSBOQHCQEGXZRC-UHFFFAOYSA-N -1 3 234.082 2.561 20 0 BFADHM C/C=C\COC(=O)c1cccc(Cl)c1[O-] ZINC000775936404 585687853 /nfs/dbraw/zinc/68/78/53/585687853.db2.gz ZADYWKHEAJNKHI-IHWYPQMZSA-N -1 3 226.659 2.779 20 0 BFADHM CC(C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775934307 585688006 /nfs/dbraw/zinc/68/80/06/585688006.db2.gz UXMIQQYYVCWAPX-UHFFFAOYSA-N -1 3 214.648 2.611 20 0 BFADHM C/C=C/COC(=O)c1cccc(Cl)c1[O-] ZINC000775936405 585688090 /nfs/dbraw/zinc/68/80/90/585688090.db2.gz ZADYWKHEAJNKHI-NSCUHMNNSA-N -1 3 226.659 2.779 20 0 BFADHM Cc1cc(=O)[n-]c(CSCC2CCCC2)n1 ZINC000776207386 585693188 /nfs/dbraw/zinc/69/31/88/585693188.db2.gz FNXWVZLWHYGFJX-UHFFFAOYSA-N -1 3 238.356 2.914 20 0 BFADHM CCCCCC(=O)[N-]OC1CCCCC1 ZINC000777959873 585724457 /nfs/dbraw/zinc/72/44/57/585724457.db2.gz HPOSLAIRLKWGAA-UHFFFAOYSA-N -1 3 213.321 2.947 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@H]1CC12CCCC2 ZINC000777963656 585724516 /nfs/dbraw/zinc/72/45/16/585724516.db2.gz XAECZVOSANVXSI-GFCCVEGCSA-N -1 3 237.343 2.947 20 0 BFADHM CC[C@@H](C)OC(=O)c1ccc([O-])c(C)c1 ZINC000778855386 585741474 /nfs/dbraw/zinc/74/14/74/585741474.db2.gz 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248.263 2.574 20 0 BFADHM O=C([N-]C1(c2ccc(F)cc2)CCC1)C(F)F ZINC000787188642 585902836 /nfs/dbraw/zinc/90/28/36/585902836.db2.gz FZMYHZCGXFCFGD-UHFFFAOYSA-N -1 3 243.228 2.586 20 0 BFADHM Cc1sccc1CC(=O)[N-]OC1CCCC1 ZINC000787220850 585903419 /nfs/dbraw/zinc/90/34/19/585903419.db2.gz XUXHHLJBDCKYCJ-UHFFFAOYSA-N -1 3 239.340 2.589 20 0 BFADHM C/C=C(/CC)C(=O)[N-]OCc1ccccc1 ZINC000788680014 585928841 /nfs/dbraw/zinc/92/88/41/585928841.db2.gz NHPRCCSVJHADAT-BASWHVEKSA-N -1 3 219.284 2.591 20 0 BFADHM CC/C(C)=C(/C)C(=O)[N-]OC/C=C/Cl ZINC000794288707 586036977 /nfs/dbraw/zinc/03/69/77/586036977.db2.gz OJEWLCJYEUJSCD-NKEWZBFXSA-N -1 3 217.696 2.533 20 0 BFADHM O=C(/C=C\c1cccs1)[N-]OC/C=C\Cl ZINC000794306093 586037624 /nfs/dbraw/zinc/03/76/24/586037624.db2.gz PYHVFIQQJXJRGJ-CBQDQPCPSA-N -1 3 243.715 2.562 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccsc1C ZINC000794850063 586050789 /nfs/dbraw/zinc/05/07/89/586050789.db2.gz HLMWZXOAZSWNFM-SECBINFHSA-N -1 3 241.356 2.693 20 0 BFADHM 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CCC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C(C)C ZINC000128784186 591161551 /nfs/dbraw/zinc/16/15/51/591161551.db2.gz FKGZIQSNPSAHNJ-VXGBXAGGSA-N -1 3 243.347 2.633 20 0 BFADHM C[C@H]1CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000881482421 591212379 /nfs/dbraw/zinc/21/23/79/591212379.db2.gz OPHBIPPOMRTRED-JTQLQIEISA-N -1 3 241.290 2.780 20 0 BFADHM CC(C)(C)C(=O)NCc1cc([O-])ccc1Cl ZINC000882227817 591317830 /nfs/dbraw/zinc/31/78/30/591317830.db2.gz VMXIIUXELWILMO-UHFFFAOYSA-N -1 3 241.718 2.708 20 0 BFADHM O=c1ccnc(C=Cc2ccc(Cl)s2)[n-]1 ZINC000131728753 591650418 /nfs/dbraw/zinc/65/04/18/591650418.db2.gz AHUJTAPWALCCAQ-DUXPYHPUSA-N -1 3 238.699 2.655 20 0 BFADHM Cc1cccnc1NC(=O)c1cc2occc2[n-]1 ZINC000132868968 591744130 /nfs/dbraw/zinc/74/41/30/591744130.db2.gz JFUDKECSVIGFFN-UHFFFAOYSA-N -1 3 241.250 2.717 20 0 BFADHM Cc1ccnc(NC(=O)c2cc3occc3[n-]2)c1 ZINC000132868334 591744908 /nfs/dbraw/zinc/74/49/08/591744908.db2.gz YTIAMAWLKKIZQZ-UHFFFAOYSA-N -1 3 241.250 2.717 20 0 BFADHM CC[C@@H](C)COC(=O)c1ccc([O-])c(OC)c1 ZINC000135889795 592076332 /nfs/dbraw/zinc/07/63/32/592076332.db2.gz MGUNLPSBYNKZKS-SECBINFHSA-N -1 3 238.283 2.604 20 0 BFADHM CCc1cnc([N-]C(=O)c2cc(C(C)C)no2)o1 ZINC000889391656 592605998 /nfs/dbraw/zinc/60/59/98/592605998.db2.gz QBWAMPDLIZORIA-UHFFFAOYSA-N -1 3 249.270 2.601 20 0 BFADHM O=C([N-]C[C@H]1CCC=CCCC1)C(F)(F)F ZINC000890051588 592672208 /nfs/dbraw/zinc/67/22/08/592672208.db2.gz PROWDQIOSHTLOT-VIFPVBQESA-N -1 3 235.249 2.801 20 0 BFADHM CCC(CC)Sc1ncccc1-c1nnn[n-]1 ZINC000736350079 598243869 /nfs/dbraw/zinc/24/38/69/598243869.db2.gz LEQACIIZPLPYRK-UHFFFAOYSA-N -1 3 249.343 2.542 20 0 BFADHM CCC(CC)Sc1ncccc1-c1nn[n-]n1 ZINC000736350079 598243870 /nfs/dbraw/zinc/24/38/70/598243870.db2.gz LEQACIIZPLPYRK-UHFFFAOYSA-N -1 3 249.343 2.542 20 0 BFADHM c1cc(-c2nn[n-]n2)ccc1NC1CCCCC1 ZINC000738412656 599304466 /nfs/dbraw/zinc/30/44/66/599304466.db2.gz JYZDPVAPGYSFEM-UHFFFAOYSA-N -1 3 243.314 2.611 20 0 BFADHM CCC[C@](C)(NC/C(Cl)=C/Cl)C(=O)[O-] 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C[C@H]1OCC[C@H]1COc1cccc([O-])c1Cl ZINC001226713062 975043950 /nfs/dbraw/zinc/04/39/50/975043950.db2.gz YITROSIZOJLAFL-BDAKNGLRSA-N -1 3 242.702 2.849 20 0 BFADHM O=C1CCC(Oc2cccc([O-])c2Cl)CC1 ZINC001226713175 975044358 /nfs/dbraw/zinc/04/43/58/975044358.db2.gz ZTRHULJMOIQCNU-UHFFFAOYSA-N -1 3 240.686 2.936 20 0 BFADHM CC[C@@H](C)C[C@H](CC)Oc1cc(=O)[n-]cn1 ZINC001226944985 975172416 /nfs/dbraw/zinc/17/24/16/975172416.db2.gz MIMLMPDZJFNKQS-ZJUUUORDSA-N -1 3 224.304 2.776 20 0 BFADHM CC(C)[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1 ZINC001226945271 975176373 /nfs/dbraw/zinc/17/63/73/975176373.db2.gz RMWZTAPFNFTSRN-AWEZNQCLSA-N -1 3 244.294 2.958 20 0 BFADHM CC[C@@H](Oc1cnc[n-]c1=O)c1ccccc1F ZINC001227052346 975242491 /nfs/dbraw/zinc/24/24/91/975242491.db2.gz YVUOYFNBVFACCR-LLVKDONJSA-N -1 3 248.257 2.851 20 0 BFADHM CC[C@@H](Oc1ccc(=O)[n-]n1)C1CCCCC1 ZINC001227093510 975263946 /nfs/dbraw/zinc/26/39/46/975263946.db2.gz NEONJPCAVVRYCN-LLVKDONJSA-N -1 3 236.315 2.920 20 0 BFADHM CCC[C@H]1CCCC[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227092851 975264964 /nfs/dbraw/zinc/26/49/64/975264964.db2.gz FBDFDEPGZLFQRW-WDEREUQCSA-N -1 3 236.315 2.920 20 0 BFADHM CCC1CCC(Oc2ccc(=O)[n-]n2)CC1 ZINC001227093903 975267337 /nfs/dbraw/zinc/26/73/37/975267337.db2.gz WKSRVJBERCZZBJ-UHFFFAOYSA-N -1 3 222.288 2.530 20 0 BFADHM O=c1ccc(OC2CCCCCCC2)n[n-]1 ZINC001227094053 975269529 /nfs/dbraw/zinc/26/95/29/975269529.db2.gz ZGCXFGUMDLVWPI-UHFFFAOYSA-N -1 3 222.288 2.674 20 0 BFADHM CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Oc1ccc(=O)[n-]n1)C2 ZINC001227094996 975270725 /nfs/dbraw/zinc/27/07/25/975270725.db2.gz LTQAFBDFBJTLJL-RULNRJAQSA-N -1 3 248.326 2.776 20 0 BFADHM CSc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001173811769 975561392 /nfs/dbraw/zinc/56/13/92/975561392.db2.gz MIAFOQOLKHVJFN-UHFFFAOYSA-N -1 3 247.323 2.956 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccccc1 ZINC001173792495 975615773 /nfs/dbraw/zinc/61/57/73/975615773.db2.gz OMMFQUQFSGQNRB-UHFFFAOYSA-N -1 3 204.204 2.670 20 0 BFADHM [O-]c1cc(Cl)cnc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227979687 975821778 /nfs/dbraw/zinc/82/17/78/975821778.db2.gz GWNSYPWEKIIHFB-SRSLHRDFSA-N -1 3 225.675 2.618 20 0 BFADHM C[C@H](Oc1ncc(Cl)cc1[O-])C(F)(F)F ZINC001227979649 975822983 /nfs/dbraw/zinc/82/29/83/975822983.db2.gz FZKVLQDENSLEEH-BYPYZUCNSA-N -1 3 241.596 2.770 20 0 BFADHM CC[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227980004 975824888 /nfs/dbraw/zinc/82/48/88/975824888.db2.gz JLOUVAABDYWCST-ZCFIWIBFSA-N -1 3 201.653 2.618 20 0 BFADHM CCCOC[C@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227981775 975825315 /nfs/dbraw/zinc/82/53/15/975825315.db2.gz ZOOCFGXXMZCETE-QMMMGPOBSA-N -1 3 245.706 2.635 20 0 BFADHM [O-]c1cc(Cl)cnc1OC1CC=CC1 ZINC001227979990 975825891 /nfs/dbraw/zinc/82/58/91/975825891.db2.gz JGUJXJOOZOJFQZ-UHFFFAOYSA-N -1 3 211.648 2.538 20 0 BFADHM Cc1cc(C)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001173830960 975854652 /nfs/dbraw/zinc/85/46/52/975854652.db2.gz LNTYSWLPSRFYKB-UHFFFAOYSA-N -1 3 229.283 2.851 20 0 BFADHM COc1ccccc1Nc1ncc(F)cc1[O-] ZINC001173838136 975868619 /nfs/dbraw/zinc/86/86/19/975868619.db2.gz DYZRILRVIFMSJF-UHFFFAOYSA-N -1 3 234.230 2.679 20 0 BFADHM Fc1cc(F)cc([N-]c2nonc2C2CC2)c1 ZINC001173913929 975892997 /nfs/dbraw/zinc/89/29/97/975892997.db2.gz KPDCKSKHAVZBSC-UHFFFAOYSA-N -1 3 237.209 2.969 20 0 BFADHM Cc1ncc(Nc2cc(F)ccc2F)c(=O)[n-]1 ZINC001173950014 976103178 /nfs/dbraw/zinc/10/31/78/976103178.db2.gz PUJJNZWQMKESKZ-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1ncc(Nc2cccc(C)c2C)c(=O)[n-]1 ZINC001173953748 976118024 /nfs/dbraw/zinc/11/80/24/976118024.db2.gz HRUQEQPFZBWIMS-UHFFFAOYSA-N -1 3 229.283 2.851 20 0 BFADHM Cc1nonc1[N-]c1cnc2ccccc2c1 ZINC001174001206 976168379 /nfs/dbraw/zinc/16/83/79/976168379.db2.gz MUSPRALHWWVEGN-UHFFFAOYSA-N -1 3 226.239 2.670 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc2c(c1)CCO2 ZINC001174010120 976174882 /nfs/dbraw/zinc/17/48/82/976174882.db2.gz WSFVQTMRJPLPEH-UHFFFAOYSA-N -1 3 246.241 2.605 20 0 BFADHM CC[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228628966 976389439 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/nfs/dbraw/zinc/66/89/96/976668996.db2.gz VUPMFWHCWBAJDO-UHFFFAOYSA-N -1 3 221.285 2.604 20 0 BFADHM COc1nonc1[N-]c1ccc2occc2c1 ZINC001174419725 976670416 /nfs/dbraw/zinc/67/04/16/976670416.db2.gz SJMVOOKRYWEIPM-UHFFFAOYSA-N -1 3 231.211 2.568 20 0 BFADHM CCn1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001174572335 976842085 /nfs/dbraw/zinc/84/20/85/976842085.db2.gz REGCGQXYYMUDFN-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM CCn1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001174566474 976881495 /nfs/dbraw/zinc/88/14/95/976881495.db2.gz PFIPJCQHQWLNOU-UHFFFAOYSA-N -1 3 246.245 2.927 20 0 BFADHM Oc1ccc(F)cc1[N-]c1nonc1C1CC1 ZINC001174626751 976895344 /nfs/dbraw/zinc/89/53/44/976895344.db2.gz ZXJFZQFSXXTLTD-UHFFFAOYSA-N -1 3 235.218 2.535 20 0 BFADHM CCc1c(C)cc([N-]c2nonc2N)cc1C ZINC001174679718 976925116 /nfs/dbraw/zinc/92/51/16/976925116.db2.gz SEBCEYBXSOZLCV-UHFFFAOYSA-N -1 3 232.287 2.575 20 0 BFADHM CC(C)c1nnc([N-]c2cccc(O)c2)o1 ZINC001174888091 977117110 /nfs/dbraw/zinc/11/71/10/977117110.db2.gz TUWOUCPMCLPPHC-UHFFFAOYSA-N -1 3 219.244 2.642 20 0 BFADHM CCOc1ccc(C)cc1Nc1cnc[n-]c1=O ZINC001175124348 977278690 /nfs/dbraw/zinc/27/86/90/977278690.db2.gz VCXZETMVROWWOC-UHFFFAOYSA-N -1 3 245.282 2.633 20 0 BFADHM CC(=O)c1ccccc1Nc1ncc(F)cc1[O-] ZINC001175176280 977323589 /nfs/dbraw/zinc/32/35/89/977323589.db2.gz JVVBZEXKWQDDAB-UHFFFAOYSA-N -1 3 246.241 2.873 20 0 BFADHM [O-]c1ccc(F)c(Nc2ncccc2F)c1F ZINC001175261830 977358443 /nfs/dbraw/zinc/35/84/43/977358443.db2.gz ROHFYGGRJDFPEK-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM [O-]c1ccc(F)c(Nc2cccnc2)c1F ZINC001175261210 977359298 /nfs/dbraw/zinc/35/92/98/977359298.db2.gz GOJHFGPLNGZJLG-UHFFFAOYSA-N -1 3 222.194 2.809 20 0 BFADHM [O-]c1cc(F)c(Nc2cncs2)cc1F ZINC001175498419 977463308 /nfs/dbraw/zinc/46/33/08/977463308.db2.gz XEJPOZAKZKSHTA-UHFFFAOYSA-N -1 3 228.223 2.871 20 0 BFADHM Cc1nsc([N-]c2c3c[nH]nc3ccc2C)n1 ZINC001175526077 977505755 /nfs/dbraw/zinc/50/57/55/977505755.db2.gz UBMVELMNJUWDDA-UHFFFAOYSA-N -1 3 245.311 2.775 20 0 BFADHM CCCOc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001175598311 977525287 /nfs/dbraw/zinc/52/52/87/977525287.db2.gz NKEVOIISHKFWNE-UHFFFAOYSA-N -1 3 245.282 2.715 20 0 BFADHM [O-]c1ccc(CN2CCC2)cc1C(F)(F)F ZINC001231521267 977629299 /nfs/dbraw/zinc/62/92/99/977629299.db2.gz CBAKZNLVEQGWHG-UHFFFAOYSA-N -1 3 231.217 2.617 20 0 BFADHM [O-]c1c(F)cc(F)cc1Nc1ccc(F)cn1 ZINC001175852404 977787163 /nfs/dbraw/zinc/78/71/63/977787163.db2.gz KAAHGSDOOLMMCI-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM c1nc([N-]c2snc3cccnc32)cs1 ZINC001175941747 977804165 /nfs/dbraw/zinc/80/41/65/977804165.db2.gz WTIKPDJCQHQDLH-UHFFFAOYSA-N -1 3 234.309 2.891 20 0 BFADHM [O-]c1cccc2sc(NC3=CCOCC3)nc21 ZINC001176139686 977918045 /nfs/dbraw/zinc/91/80/45/977918045.db2.gz VOXDKBYLVPOQFB-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ncc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001176396066 978071629 /nfs/dbraw/zinc/07/16/29/978071629.db2.gz MCSQJFGGSHCQLG-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1nnc([N-]c2cccc(OCC3CC3)c2)o1 ZINC001176489821 978098748 /nfs/dbraw/zinc/09/87/48/978098748.db2.gz CCCFXGQWKFTUJO-UHFFFAOYSA-N -1 3 245.282 2.910 20 0 BFADHM Cc1nc(Nc2ccccc2Cl)cc(=O)[n-]1 ZINC001176551200 978124541 /nfs/dbraw/zinc/12/45/41/978124541.db2.gz GKPRRUDQNYVCIO-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM Cc1ncc(Nc2ccc(Cl)cc2)c(=O)[n-]1 ZINC001176725206 978163884 /nfs/dbraw/zinc/16/38/84/978163884.db2.gz HFIICQUDRAJMBL-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM Cc1cc(=O)[n-]c(N2Cc3ccccc3[C@H]2C)n1 ZINC001337219717 978220681 /nfs/dbraw/zinc/22/06/81/978220681.db2.gz FPSMWRGRQVTLAI-SNVBAGLBSA-N -1 3 241.294 2.572 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCC(C)(C)C1CC1 ZINC001598159501 978415631 /nfs/dbraw/zinc/41/56/31/978415631.db2.gz CFRUNBFKFUQSGL-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM C[C@@H]1CN(Cc2ccc([S-])cc2)C[C@@H]1F ZINC001233258377 978518128 /nfs/dbraw/zinc/51/81/28/978518128.db2.gz CLAUXONQAGEKGR-SKDRFNHKSA-N -1 3 225.332 2.765 20 0 BFADHM [O-]c1ccc(F)c(CN2CC3CC(C3)C2)c1F ZINC001233396809 978599252 /nfs/dbraw/zinc/59/92/52/978599252.db2.gz XCVLVDQBMKGTDL-UHFFFAOYSA-N -1 3 239.265 2.512 20 0 BFADHM COC[C@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233592332 978639820 /nfs/dbraw/zinc/63/98/20/978639820.db2.gz LNMBRJJHFNMOLO-QMMMGPOBSA-N -1 3 230.691 2.768 20 0 BFADHM CCC(=O)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001249921151 978668934 /nfs/dbraw/zinc/66/89/34/978668934.db2.gz KNAHWQOLMVSQRB-UHFFFAOYSA-N -1 3 232.201 2.933 20 0 BFADHM [O-]c1coc2ccc(O[C@@H]3C=CCCC3)cc12 ZINC001233677560 978669377 /nfs/dbraw/zinc/66/93/77/978669377.db2.gz LCTOXEAWMWBEML-SNVBAGLBSA-N -1 3 230.263 2.749 20 0 BFADHM C[C@@H](Oc1ccc2occ([O-])c2c1)C(F)(F)F ZINC001233678490 978673334 /nfs/dbraw/zinc/67/33/34/978673334.db2.gz UIZWJUVLMKVDIO-ZCFIWIBFSA-N -1 3 246.184 2.591 20 0 BFADHM C[C@@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233867611 978707320 /nfs/dbraw/zinc/70/73/20/978707320.db2.gz GPCPGRMYPSTLLW-RXMQYKEDSA-N -1 3 224.153 2.861 20 0 BFADHM [O-]c1ccc(Cl)c(O[C@@H]2CCCOC2)c1F ZINC001234263197 978806270 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982092599 /nfs/dbraw/zinc/09/25/99/982092599.db2.gz LZXPIGJEEYFGTA-UHFFFAOYSA-N -1 3 243.262 2.549 20 0 BFADHM CCSc1cncc(-c2ccccc2[O-])n1 ZINC001241007853 982094508 /nfs/dbraw/zinc/09/45/08/982094508.db2.gz AXYPTONUPBKEFC-UHFFFAOYSA-N -1 3 232.308 2.961 20 0 BFADHM CCN(CC)c1cc(-c2ccccc2[O-])ncn1 ZINC001241008180 982094836 /nfs/dbraw/zinc/09/48/36/982094836.db2.gz MXKKRSBPYLDNSE-UHFFFAOYSA-N -1 3 243.310 2.695 20 0 BFADHM C[C@@H]1CCc2nnc(-c3ccccc3[O-])cc2C1 ZINC001241008512 982096256 /nfs/dbraw/zinc/09/62/56/982096256.db2.gz IDGHXAYONRBCJX-SNVBAGLBSA-N -1 3 240.306 2.974 20 0 BFADHM Cc1c[nH]c2ncnc(-c3ccc(C)cc3[O-])c12 ZINC001241028250 982125367 /nfs/dbraw/zinc/12/53/67/982125367.db2.gz KORRZQZLEOPOQA-UHFFFAOYSA-N -1 3 239.278 2.899 20 0 BFADHM CC(C)Oc1cc(-c2cc([O-])cc(F)c2)ncn1 ZINC001241258082 982393698 /nfs/dbraw/zinc/39/36/98/982393698.db2.gz UCXCDQBNLGGPGU-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM COc1cnc(-c2cc([O-])cc(F)c2)cc1C ZINC001241261208 982397708 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/nfs/dbraw/zinc/32/84/15/187328415.db2.gz BIINZVCBNIXCTK-WAYWQWQTSA-N -1 3 248.232 2.939 20 0 BFADHM CCC(CC)C(=O)Nc1cccc([O-])c1F ZINC000129287090 343986117 /nfs/dbraw/zinc/98/61/17/343986117.db2.gz PMNSQFNKUABXLN-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000177912379 178203479 /nfs/dbraw/zinc/20/34/79/178203479.db2.gz IRSIBBJJBFRDAY-JFGNBEQYSA-N -1 3 249.358 2.530 20 0 BFADHM Cc1ccc(-c2cncc([O-])c2)c(F)c1 ZINC000065337777 178329229 /nfs/dbraw/zinc/32/92/29/178329229.db2.gz WGLITWZXXCGGMD-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM Cc1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1 ZINC000091438891 178384439 /nfs/dbraw/zinc/38/44/39/178384439.db2.gz GSVYHOVCAORIJP-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)c([O-])c1 ZINC000362012561 178390495 /nfs/dbraw/zinc/39/04/95/178390495.db2.gz NYGPCCNGKIWIEH-ZDUSSCGKSA-N -1 3 245.322 2.715 20 0 BFADHM C[C@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000034956142 342733100 /nfs/dbraw/zinc/73/31/00/342733100.db2.gz RALLWMVAJQXVSA-XVKPBYJWSA-N -1 3 216.240 2.566 20 0 BFADHM CC[C@]1(C)CCN(Cc2ccoc2C(=O)[O-])C1 ZINC000399483180 342735064 /nfs/dbraw/zinc/73/50/64/342735064.db2.gz RRYUOLJPGRIUJD-CYBMUJFWSA-N -1 3 237.299 2.600 20 0 BFADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1c(F)cccc1Cl ZINC000261569384 398285442 /nfs/dbraw/zinc/28/54/42/398285442.db2.gz GGBHJTDRUDSSAM-RQJHMYQMSA-N -1 3 245.681 2.603 20 0 BFADHM [O-]c1cc(CN2CCCCC2)ccc1F ZINC000214694833 342818288 /nfs/dbraw/zinc/81/82/88/342818288.db2.gz WJDBUSXRWMDWDG-UHFFFAOYSA-N -1 3 209.264 2.517 20 0 BFADHM Cc1c(C(=O)Nc2c(C)cccc2[O-])ccn1C ZINC000192572244 538995490 /nfs/dbraw/zinc/99/54/90/538995490.db2.gz PUYLVSJUPCZXJT-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CCC(C)C)n1 ZINC000192548993 538995524 /nfs/dbraw/zinc/99/55/24/538995524.db2.gz KOWZAEBHTOWMLJ-LLVKDONJSA-N -1 3 237.347 2.530 20 0 BFADHM CS[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145639 361981583 /nfs/dbraw/zinc/98/15/83/361981583.db2.gz YUEYNKJJAXHFON-ZCFIWIBFSA-N -1 3 245.731 2.736 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1(C2CCC2)CC1 ZINC000628002439 342862150 /nfs/dbraw/zinc/86/21/50/342862150.db2.gz NHSPBYDYTCNRFW-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CCCCCC[N-]S(=O)(=O)c1cccs1 ZINC000013938640 342874533 /nfs/dbraw/zinc/87/45/33/342874533.db2.gz HQEQZPCPTVUAHR-UHFFFAOYSA-N -1 3 247.385 2.607 20 0 BFADHM CCc1c(=O)n(CC)[n-]c1-c1cccc(C)c1 ZINC000634584833 342901597 /nfs/dbraw/zinc/90/15/97/342901597.db2.gz OIDSZBJSUUVVDE-GFCCVEGCSA-N -1 3 230.311 2.587 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C(C)C)C1CC1 ZINC000625228314 342922707 /nfs/dbraw/zinc/92/27/07/342922707.db2.gz SADXZKZTPIDEFW-UHFFFAOYSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1[n-]n(Cc2cccc(F)c2)c(=O)c1C1CC1 ZINC000634589937 342937036 /nfs/dbraw/zinc/93/70/36/342937036.db2.gz MIZQLMACHUFLLC-ZDUSSCGKSA-N -1 3 246.285 2.570 20 0 BFADHM CCc1[n-]n(C2CCCC2)c(=O)c1C(C)C ZINC000634588046 342933995 /nfs/dbraw/zinc/93/39/95/342933995.db2.gz HZJVCMBGWVEYDL-LBPRGKRZSA-N -1 3 222.332 2.809 20 0 BFADHM CC(C)O[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000379024558 346889709 /nfs/dbraw/zinc/88/97/09/346889709.db2.gz UMVRLOKFTATVOC-NPNFKUNOSA-N -1 3 249.310 2.872 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000019837059 342959137 /nfs/dbraw/zinc/95/91/37/342959137.db2.gz IFDIQWIMEMEYJR-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM CCc1c(-c2cccc(C)c2)[n-]n(C2CC2)c1=O ZINC000634618049 343016324 /nfs/dbraw/zinc/01/63/24/343016324.db2.gz FFSKIFMTQHEKDM-CYBMUJFWSA-N -1 3 242.322 2.730 20 0 BFADHM CCc1[n-]n([C@@H](C)CC)c(=O)c1C(C)C ZINC000634624011 343024566 /nfs/dbraw/zinc/02/45/66/343024566.db2.gz VUTZBBOUDWJRAG-GXSJLCMTSA-N -1 3 210.321 2.665 20 0 BFADHM Cc1[n-]n([C@H]2CCCC2(C)C)c(=O)c1C1CC1 ZINC000634625181 343028674 /nfs/dbraw/zinc/02/86/74/343028674.db2.gz AMGKANNKCSZEHS-NWDGAFQWSA-N -1 3 234.343 2.809 20 0 BFADHM Cc1[n-]n([C@@H](C)C(C)(C)C)c(=O)c1C1CC1 ZINC000634630597 343039617 /nfs/dbraw/zinc/03/96/17/343039617.db2.gz ZTULFEKEGQECFL-GXSJLCMTSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@H]3CCCC3(C)C)c(=O)c21 ZINC000634626222 343031212 /nfs/dbraw/zinc/03/12/12/343031212.db2.gz ZUCSDKVFYRFKDM-USWWRNFRSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(CC3(C)CCCC3)c(=O)c21 ZINC000634629734 343037916 /nfs/dbraw/zinc/03/79/16/343037916.db2.gz AVLFUDYQNDMINO-JQWIXIFHSA-N -1 3 234.343 2.811 20 0 BFADHM C[C@@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(C)(C)C ZINC000634630416 343039292 /nfs/dbraw/zinc/03/92/92/343039292.db2.gz UUXGJCYMWADNDT-FXPVBKGRSA-N -1 3 222.332 2.665 20 0 BFADHM CCOC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000384177179 343059651 /nfs/dbraw/zinc/05/96/51/343059651.db2.gz YXPRSPXCBCPNHB-UHFFFAOYSA-N -1 3 248.282 2.714 20 0 BFADHM Cc1csc(CNCc2nc(C)ccc2[O-])c1 ZINC000344614172 365712891 /nfs/dbraw/zinc/71/28/91/365712891.db2.gz QJLJQMAPLNCNNF-UHFFFAOYSA-N -1 3 248.351 2.755 20 0 BFADHM CC(C)(CCNC(=O)c1cccc([O-])c1)C1CC1 ZINC000294246069 187242043 /nfs/dbraw/zinc/24/20/43/187242043.db2.gz SLDZUJKPLAEHED-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM CN(CCCC(=O)[O-])Cc1ccccc1Cl ZINC000032099987 343229559 /nfs/dbraw/zinc/22/95/59/343229559.db2.gz WPZIZBUPCCWUDI-UHFFFAOYSA-N -1 3 241.718 2.637 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624590290 344032618 /nfs/dbraw/zinc/03/26/18/344032618.db2.gz VYWOPLMIYIUFMS-GXSJLCMTSA-N -1 3 235.327 2.865 20 0 BFADHM CC(C)CN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000042559745 343443642 /nfs/dbraw/zinc/44/36/42/343443642.db2.gz MRLFEAQZFYJVRD-UHFFFAOYSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000192887344 259367150 /nfs/dbraw/zinc/36/71/50/259367150.db2.gz NSGZDXCRXHMLRN-JTQLQIEISA-N -1 3 249.310 2.503 20 0 BFADHM COCc1csc(-c2ccccc2[O-])n1 ZINC000231692892 343685051 /nfs/dbraw/zinc/68/50/51/343685051.db2.gz LVWAWKRTCKMAMY-UHFFFAOYSA-N -1 3 221.281 2.662 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC[C@@H]2C)c([O-])c1 ZINC000620210703 343720513 /nfs/dbraw/zinc/72/05/13/343720513.db2.gz CLECJSCVFKRZBY-JTQLQIEISA-N -1 3 233.311 2.750 20 0 BFADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@H]1C ZINC000625447866 343772148 /nfs/dbraw/zinc/77/21/48/343772148.db2.gz AUDMBGLKNYRMNG-BDAKNGLRSA-N -1 3 225.719 2.886 20 0 BFADHM Cc1oc(CN2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000035432162 488236119 /nfs/dbraw/zinc/23/61/19/488236119.db2.gz LZQKNIFDVWRUAQ-SECBINFHSA-N -1 3 237.299 2.518 20 0 BFADHM CCC1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000295862078 187351939 /nfs/dbraw/zinc/35/19/39/187351939.db2.gz KUCODRIMRNFKPV-UHFFFAOYSA-N -1 3 239.702 2.718 20 0 BFADHM Cc1[n-]n([C@H](C)c2ccccc2)c(=O)c1C1CC1 ZINC000634599061 537834141 /nfs/dbraw/zinc/83/41/41/537834141.db2.gz ZVNQCXZOJSCQEZ-RISCZKNCSA-N -1 3 242.322 2.992 20 0 BFADHM C/C=C\CNCc1cccc([O-])c1Cl ZINC000385008863 344291469 /nfs/dbraw/zinc/29/14/69/344291469.db2.gz MYYRDOCWCSAMAF-IHWYPQMZSA-N -1 3 211.692 2.711 20 0 BFADHM Cc1cc(C(=O)NC2CC(C)(C)C2)ccc1[O-] ZINC000395454940 344328728 /nfs/dbraw/zinc/32/87/28/344328728.db2.gz ZTSBCSWOBSTXIO-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@@H]2C[C@@H]2C)n1 ZINC000600621792 344341717 /nfs/dbraw/zinc/34/17/17/344341717.db2.gz KGLOXMKDSKZHQD-IUCAKERBSA-N -1 3 238.356 2.634 20 0 BFADHM Cc1ccc(NC(=O)C(C)(C)C)c([O-])c1 ZINC000041042227 344414245 /nfs/dbraw/zinc/41/42/45/344414245.db2.gz DCDZVCQXTTZKKV-UHFFFAOYSA-N -1 3 207.273 2.685 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2C)c1 ZINC000162941319 344512404 /nfs/dbraw/zinc/51/24/04/344512404.db2.gz JCXGUEGUVHHFOS-GHMZBOCLSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc([C@H](C)N(C)CC2CC2)oc1C(=O)[O-] ZINC000577521312 344535527 /nfs/dbraw/zinc/53/55/27/344535527.db2.gz AATJHGWTQKEGCC-VIFPVBQESA-N -1 3 237.299 2.689 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000625939962 344575202 /nfs/dbraw/zinc/57/52/02/344575202.db2.gz XLRHNIPTUXKEAS-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000625939964 344575263 /nfs/dbraw/zinc/57/52/63/344575263.db2.gz XLRHNIPTUXKEAS-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM CCC1(CNC(=O)c2c(C)cccc2[O-])CC1 ZINC000626014002 344672563 /nfs/dbraw/zinc/67/25/63/344672563.db2.gz LOQFBBRHBFQBHY-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C(C)C)C1 ZINC000626057503 344705807 /nfs/dbraw/zinc/70/58/07/344705807.db2.gz RKESOAXLIITIII-LBPRGKRZSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)C2)c1 ZINC000075411921 344770883 /nfs/dbraw/zinc/77/08/83/344770883.db2.gz OQKVONAVPRLLFG-QWRGUYRKSA-N -1 3 247.338 2.683 20 0 BFADHM CC(C)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657750 344892370 /nfs/dbraw/zinc/89/23/70/344892370.db2.gz QUWIZKVMQYCWBV-UHFFFAOYSA-N -1 3 247.338 2.695 20 0 BFADHM Cn1c(=O)[n-]nc1SCCC1=CCCCC1 ZINC000418847984 192082721 /nfs/dbraw/zinc/08/27/21/192082721.db2.gz KLFSDKRKHLKRGE-UHFFFAOYSA-N -1 3 239.344 2.503 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(CC2CC2)C1 ZINC000628195072 344951886 /nfs/dbraw/zinc/95/18/86/344951886.db2.gz GNTCBBAUTYCUBL-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM CC(C)CO[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000135324586 187298284 /nfs/dbraw/zinc/29/82/84/187298284.db2.gz SRRASFBNTKRWGF-UHFFFAOYSA-N -1 3 241.718 2.586 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2ccc(C)nc2)c1 ZINC000154271912 345023354 /nfs/dbraw/zinc/02/33/54/345023354.db2.gz FUIQFINZONTINB-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000136275246 345495119 /nfs/dbraw/zinc/49/51/19/345495119.db2.gz CHDUUICWUZLEQG-GXSJLCMTSA-N -1 3 237.299 2.741 20 0 BFADHM C/C=C(\C)C(=O)Nc1ccc(C)cc1[O-] ZINC000176309821 187307314 /nfs/dbraw/zinc/30/73/14/187307314.db2.gz PIOHNTVNJQSQFB-RUDMXATFSA-N -1 3 205.257 2.605 20 0 BFADHM CCc1cccc(C(=O)NC2(C)CCC2)c1[O-] ZINC000093246194 345660126 /nfs/dbraw/zinc/66/01/26/345660126.db2.gz UIYHTMTYRSOSIN-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CCOC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000204987637 345732957 /nfs/dbraw/zinc/73/29/57/345732957.db2.gz FGRKDWXFYGIVAA-UHFFFAOYSA-N -1 3 234.173 2.588 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000082879749 345790040 /nfs/dbraw/zinc/79/00/40/345790040.db2.gz QHGWZPZSMFTOBU-XPUUQOCRSA-N -1 3 225.675 2.640 20 0 BFADHM FC(F)(F)c1csc(=NC[C@@H]2CC23CC3)[n-]1 ZINC000418993022 192096013 /nfs/dbraw/zinc/09/60/13/192096013.db2.gz OUULUTMAMUJWJJ-LURJTMIESA-N -1 3 248.273 2.796 20 0 BFADHM CC1=C(C(=O)Nc2nc(C)ccc2[O-])CCC1 ZINC000333265172 187365641 /nfs/dbraw/zinc/36/56/41/187365641.db2.gz GSOXQTCDSPJQFK-UHFFFAOYSA-N -1 3 232.283 2.535 20 0 BFADHM Cc1cccc(C(=O)N2CCC3(CC3)CC2)c1[O-] ZINC000370886361 179006634 /nfs/dbraw/zinc/00/66/34/179006634.db2.gz ODHCQUHWRYMZPG-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1cccc(C(=O)N2CCCC[C@H](C)C2)c1[O-] ZINC000186450359 179009042 /nfs/dbraw/zinc/00/90/42/179009042.db2.gz KGZDTRPDFBFSLO-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1[O-] ZINC000153726534 179011683 /nfs/dbraw/zinc/01/16/83/179011683.db2.gz GMMGHQHHGOLVEU-PWSUYJOCSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@H]2C)c1[O-] ZINC000177092346 179011733 /nfs/dbraw/zinc/01/17/33/179011733.db2.gz DEEVLWVGTMENLG-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c1[O-] ZINC000148892855 179012983 /nfs/dbraw/zinc/01/29/83/179012983.db2.gz NPFHQYRFGVGDRP-RYUDHWBXSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H]3CCC[C@H]32)c1[O-] ZINC000336147349 179013047 /nfs/dbraw/zinc/01/30/47/179013047.db2.gz ZIKZMFHWKFCEHA-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM CC[C@@H](SC)C(=O)Nc1ccc(C)cc1[O-] ZINC000153312935 346293632 /nfs/dbraw/zinc/29/36/32/346293632.db2.gz HGIRGZCUGYZQLE-LLVKDONJSA-N -1 3 239.340 2.781 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(F)c2)n1 ZINC000204648785 346564923 /nfs/dbraw/zinc/56/49/23/346564923.db2.gz CNCYRSSQBBBXOY-HYXAFXHYSA-N -1 3 248.232 2.527 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CSC1CC1 ZINC000294833518 179159713 /nfs/dbraw/zinc/15/97/13/179159713.db2.gz ALEGXGYTAOOPQG-UHFFFAOYSA-N -1 3 237.324 2.535 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1CC(F)(F)C1 ZINC000336587002 179160164 /nfs/dbraw/zinc/16/01/64/179160164.db2.gz ICSCEDTWDWVRFN-UHFFFAOYSA-N -1 3 241.237 2.684 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)C(C)C ZINC000183068137 179160795 /nfs/dbraw/zinc/16/07/95/179160795.db2.gz LGRWCEKZXQIHRF-SNVBAGLBSA-N -1 3 221.300 2.931 20 0 BFADHM Cc1cc([N-]C(=O)c2sccc2Cl)no1 ZINC000082339386 347353310 /nfs/dbraw/zinc/35/33/10/347353310.db2.gz BHKNZCRMGUDLJK-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC12CC2 ZINC000616942986 347511404 /nfs/dbraw/zinc/51/14/04/347511404.db2.gz KFRNLVGNVBUNHZ-QMMMGPOBSA-N -1 3 237.686 2.784 20 0 BFADHM CN(Cc1ccccc1F)Cc1ncccc1[O-] ZINC000577423944 365951214 /nfs/dbraw/zinc/95/12/14/365951214.db2.gz VXTRFUXCFXRVFM-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM C[C@@H]1CCCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000070410256 350001791 /nfs/dbraw/zinc/00/17/91/350001791.db2.gz QTLPADIEMUHCQN-SNVBAGLBSA-N -1 3 237.299 2.742 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C)CC2)n1 ZINC000248770312 349149029 /nfs/dbraw/zinc/14/90/29/349149029.db2.gz SOIPNVABEJHFNR-PWSUYJOCSA-N -1 3 249.358 2.674 20 0 BFADHM CC[C@@H]1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000252878993 349221445 /nfs/dbraw/zinc/22/14/45/349221445.db2.gz XMQOVNGBMAHRNO-NXEZZACHSA-N -1 3 237.299 2.771 20 0 BFADHM Cc1oc(CN(C)CC2CCC2)cc1C(=O)[O-] ZINC000061479462 349369446 /nfs/dbraw/zinc/36/94/46/349369446.db2.gz SEGOSHGLTZVGNI-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)CC1CCC1 ZINC000061479560 349369594 /nfs/dbraw/zinc/36/95/94/349369594.db2.gz CZHHRDSDRWADKK-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CCCC(C)(C)CC(=O)Nc1ncccc1[O-] ZINC000427457746 191075820 /nfs/dbraw/zinc/07/58/20/191075820.db2.gz LONZCAWDAMBXGK-UHFFFAOYSA-N -1 3 236.315 2.942 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@@H]1CCC[C@@H](C)C1 ZINC000605076632 350249007 /nfs/dbraw/zinc/24/90/07/350249007.db2.gz QCEBBLKXLRXBHV-RKDXNWHRSA-N -1 3 241.360 2.674 20 0 BFADHM Cc1ccc(CN[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000563959216 323331297 /nfs/dbraw/zinc/33/12/97/323331297.db2.gz GGPQZHMGMLDEOJ-SECBINFHSA-N -1 3 241.718 2.601 20 0 BFADHM Cc1ccc(CN[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000563959217 323331960 /nfs/dbraw/zinc/33/19/60/323331960.db2.gz GGPQZHMGMLDEOJ-VIFPVBQESA-N -1 3 241.718 2.601 20 0 BFADHM CCc1ccc(C(=O)N[C@@]23C[C@@H]2CCC3)c([O-])c1 ZINC000617213723 350383297 /nfs/dbraw/zinc/38/32/97/350383297.db2.gz KZZAWSPMQIZSLT-NHYWBVRUSA-N -1 3 245.322 2.627 20 0 BFADHM CCc1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000617213722 350383385 /nfs/dbraw/zinc/38/33/85/350383385.db2.gz KZZAWSPMQIZSLT-IAQYHMDHSA-N -1 3 245.322 2.627 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000162939459 350473489 /nfs/dbraw/zinc/47/34/89/350473489.db2.gz XJIUQIVRXWIGPC-QWRGUYRKSA-N -1 3 233.311 2.571 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](C)C(C)C)c1 ZINC000606932948 350629028 /nfs/dbraw/zinc/62/90/28/350629028.db2.gz ZKUGTNJIJBQVBG-LLVKDONJSA-N -1 3 249.354 2.977 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2)n1 ZINC000339115694 350735208 /nfs/dbraw/zinc/73/52/08/350735208.db2.gz QXRDHNTXKZCJCF-DAXSKMNVSA-N -1 3 230.242 2.800 20 0 BFADHM CC1(C)CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000389176101 350770383 /nfs/dbraw/zinc/77/03/83/350770383.db2.gz WTNOCJPBZALKKP-LLVKDONJSA-N -1 3 247.338 2.948 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C2CC2)C1 ZINC000626311723 350956012 /nfs/dbraw/zinc/95/60/12/350956012.db2.gz PFGDUZDULDQQJZ-GFCCVEGCSA-N -1 3 245.322 2.573 20 0 BFADHM CCc1cc(C(=O)N[C@H](CC)C2CC2)ccc1[O-] ZINC000618873873 351989186 /nfs/dbraw/zinc/98/91/86/351989186.db2.gz HLEXUNSZIFTECO-CYBMUJFWSA-N -1 3 247.338 2.873 20 0 BFADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@H]1C1CC1 ZINC000291068035 352259140 /nfs/dbraw/zinc/25/91/40/352259140.db2.gz ILHMVCFOHWYSDZ-ZDUSSCGKSA-N -1 3 245.322 2.653 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ncccc1Cl ZINC000334187619 352777223 /nfs/dbraw/zinc/77/72/23/352777223.db2.gz GEDPLQDYRUYMRI-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CC(C)NCc1cccc([O-])c1Br ZINC000306180154 352988318 /nfs/dbraw/zinc/98/83/18/352988318.db2.gz XSJUCHNJQUUDSN-UHFFFAOYSA-N -1 3 244.132 2.653 20 0 BFADHM [O-]c1ccc(F)c(CN[C@@H]2CC[C@@H](F)C2)c1F ZINC000334475423 353119321 /nfs/dbraw/zinc/11/93/21/353119321.db2.gz MFZCATSNZZTSIR-HTQZYQBOSA-N -1 3 245.244 2.651 20 0 BFADHM CC(C)(NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000336286087 188269697 /nfs/dbraw/zinc/26/96/97/188269697.db2.gz WDUJWJJWWNQPAW-UHFFFAOYSA-N -1 3 233.311 2.701 20 0 BFADHM CC(C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000026514560 188283204 /nfs/dbraw/zinc/28/32/04/188283204.db2.gz HNDGMTAXFODDTJ-UHFFFAOYSA-N -1 3 218.256 2.641 20 0 BFADHM CC(C)CON=C([O-])Nc1ccccc1F ZINC000123361059 188329434 /nfs/dbraw/zinc/32/94/34/188329434.db2.gz ONOKBRIBFGGJQZ-UHFFFAOYSA-N -1 3 226.251 2.535 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1ccccc1F ZINC000123361059 188329436 /nfs/dbraw/zinc/32/94/36/188329436.db2.gz ONOKBRIBFGGJQZ-UHFFFAOYSA-N -1 3 226.251 2.535 20 0 BFADHM CC(C)C[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291442409 188390435 /nfs/dbraw/zinc/39/04/35/188390435.db2.gz BDTSFMHGIXQJCU-YEZKRMTDSA-N -1 3 233.739 2.859 20 0 BFADHM CC(C)[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000043441568 188396548 /nfs/dbraw/zinc/39/65/48/188396548.db2.gz UXPMQAHGWAGNIY-ZDUSSCGKSA-N -1 3 244.294 2.756 20 0 BFADHM CC[C@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000037915238 358479972 /nfs/dbraw/zinc/47/99/72/358479972.db2.gz QWPODKFJDYHBCQ-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM C[C@H](C(=O)Nc1cccc([O-])c1F)C1CCC1 ZINC000334573126 354102437 /nfs/dbraw/zinc/10/24/37/354102437.db2.gz JCSOVMKWPFOKQE-QMMMGPOBSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1cc2c([n-]c(CC(F)(F)F)nc2=O)s1 ZINC000334596448 354229971 /nfs/dbraw/zinc/22/99/71/354229971.db2.gz HMBSMBMVEHNIRY-UHFFFAOYSA-N -1 3 248.229 2.810 20 0 BFADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)CC(C)(C)C1 ZINC000345425412 354654528 /nfs/dbraw/zinc/65/45/28/354654528.db2.gz OMLTYZQAMAIUNL-NSHDSACASA-N -1 3 247.338 2.900 20 0 BFADHM Cc1ccc(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000040413336 358490339 /nfs/dbraw/zinc/49/03/39/358490339.db2.gz BEUWMXMDHFRHGG-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC[C@@H](F)C1 ZINC000335171794 354936334 /nfs/dbraw/zinc/93/63/34/354936334.db2.gz GDFBNCYMOJKCBO-NXEZZACHSA-N -1 3 237.274 2.859 20 0 BFADHM CCc1occc1C(=O)Nc1nc(C)ccc1[O-] ZINC000335795788 355451749 /nfs/dbraw/zinc/45/17/49/355451749.db2.gz AZUIILPHRSJQMM-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM CCc1nc(C(=O)Nc2c(C)cccc2[O-])co1 ZINC000335882605 355672758 /nfs/dbraw/zinc/67/27/58/355672758.db2.gz YFRRAQWIFPGJIK-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM [O-]c1cc(F)cc(CN2C[C@@H]3CCC[C@H]32)c1 ZINC000335886436 355676711 /nfs/dbraw/zinc/67/67/11/355676711.db2.gz JCDPULUYKYSEPA-GXFFZTMASA-N -1 3 221.275 2.516 20 0 BFADHM C[C@H](c1ccco1)N(C)CC1(CC(=O)[O-])CC1 ZINC000584356139 356174388 /nfs/dbraw/zinc/17/43/88/356174388.db2.gz AAKHOBSKGZAFDU-SNVBAGLBSA-N -1 3 237.299 2.527 20 0 BFADHM [O-]c1cccnc1CN1CC[C@H]1c1ccccc1 ZINC000580362889 356435908 /nfs/dbraw/zinc/43/59/08/356435908.db2.gz JEROXEZKVGAWBM-AWEZNQCLSA-N -1 3 240.306 2.734 20 0 BFADHM Cc1cccc([O-])c1NC(=O)c1ccoc1 ZINC000179554256 366269699 /nfs/dbraw/zinc/26/96/99/366269699.db2.gz JHOJANVCVVEBEO-UHFFFAOYSA-N -1 3 217.224 2.546 20 0 BFADHM CC(C)[C@@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000323955317 356666442 /nfs/dbraw/zinc/66/64/42/356666442.db2.gz PTPNCQYNYNXQGH-CYBMUJFWSA-N -1 3 233.311 2.557 20 0 BFADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000324104086 356740872 /nfs/dbraw/zinc/74/08/72/356740872.db2.gz MAEALMHESJLDBU-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM CC1(C)CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000359571184 356891198 /nfs/dbraw/zinc/89/11/98/356891198.db2.gz MPDNBMAVXZZWOX-VIFPVBQESA-N -1 3 234.299 2.552 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000359836297 538768969 /nfs/dbraw/zinc/76/89/69/538768969.db2.gz AHYKQNNPVFPZCJ-SECBINFHSA-N -1 3 237.299 2.776 20 0 BFADHM CCCN(C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000582365170 357112151 /nfs/dbraw/zinc/11/21/51/357112151.db2.gz KEPUWCIUFPATJK-MRVPVSSYSA-N -1 3 225.288 2.689 20 0 BFADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1c(C)cccc1[O-] ZINC000626504326 357140287 /nfs/dbraw/zinc/14/02/87/357140287.db2.gz HOOZGTQANYVUDQ-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1C ZINC000085828077 357507862 /nfs/dbraw/zinc/50/78/62/357507862.db2.gz WLXQCVDWQPCFQN-IUCAKERBSA-N -1 3 223.272 2.523 20 0 BFADHM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000230687914 357550042 /nfs/dbraw/zinc/55/00/42/357550042.db2.gz YGWDNYUMSANOBP-PWSUYJOCSA-N -1 3 233.311 2.558 20 0 BFADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000230687909 357550273 /nfs/dbraw/zinc/55/02/73/357550273.db2.gz YGWDNYUMSANOBP-ZYHUDNBSSA-N -1 3 233.311 2.558 20 0 BFADHM CC[C@@H](C)CNC(=O)c1cc([O-])ccc1Cl ZINC000233858572 357757587 /nfs/dbraw/zinc/75/75/87/357757587.db2.gz ZVGILSIIGIDBCE-MRVPVSSYSA-N -1 3 241.718 2.822 20 0 BFADHM CC[C@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812848 358052348 /nfs/dbraw/zinc/05/23/48/358052348.db2.gz WWIGCZDXWLHVJG-VIFPVBQESA-N -1 3 225.288 2.517 20 0 BFADHM CCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000036791169 358052439 /nfs/dbraw/zinc/05/24/39/358052439.db2.gz OXSUTEYECIWFMM-VIFPVBQESA-N -1 3 225.288 2.598 20 0 BFADHM CCCCN(CC)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812774 358052950 /nfs/dbraw/zinc/05/29/50/358052950.db2.gz CTBLBVXRYKWAOV-UHFFFAOYSA-N -1 3 239.315 2.908 20 0 BFADHM C[C@@H](N(C)Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000042771036 358358649 /nfs/dbraw/zinc/35/86/49/358358649.db2.gz VYPUERZZTMPQSH-SECBINFHSA-N -1 3 239.315 2.844 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C[C@H]1C ZINC000229313498 358402370 /nfs/dbraw/zinc/40/23/70/358402370.db2.gz AVXXVVCBXYWBKP-DTWKUNHWSA-N -1 3 237.299 2.517 20 0 BFADHM Cc1occc1CN(C)C(=O)c1cccc([O-])c1 ZINC000042449980 358523732 /nfs/dbraw/zinc/52/37/32/358523732.db2.gz WHGSHRXZYPMNKC-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)co1 ZINC000130562771 358631753 /nfs/dbraw/zinc/63/17/53/358631753.db2.gz TZGYAAPENNVKAU-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000177020990 134293690 /nfs/dbraw/zinc/29/36/90/134293690.db2.gz BJEHXUVMPRZEIG-GHMZBOCLSA-N -1 3 233.311 2.571 20 0 BFADHM CCCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000136072059 358862072 /nfs/dbraw/zinc/86/20/72/358862072.db2.gz OMKBDVCQTHWXMG-UHFFFAOYSA-N -1 3 241.718 2.504 20 0 BFADHM CC(C)[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000136120703 358865304 /nfs/dbraw/zinc/86/53/04/358865304.db2.gz CSHOMIRUYRXMOU-LBPRGKRZSA-N -1 3 233.311 2.510 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248359184 359269642 /nfs/dbraw/zinc/26/96/42/359269642.db2.gz RQNPWIPGSFVEQV-GDGBQDQQSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1ccc(NC(=O)C[C@@H]2CCCCO2)c([O-])c1 ZINC000088239517 359942896 /nfs/dbraw/zinc/94/28/96/359942896.db2.gz DAVHLGZCIRGGMZ-NSHDSACASA-N -1 3 249.310 2.598 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1CC2(CC2)C1 ZINC000613110594 360365142 /nfs/dbraw/zinc/36/51/42/360365142.db2.gz QWSJKJSDFJWTRN-UHFFFAOYSA-N -1 3 235.258 2.660 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@@H]1C[C@H]1C ZINC000629099688 360877729 /nfs/dbraw/zinc/87/77/29/360877729.db2.gz GDGDPFMTXCGJDS-BDAKNGLRSA-N -1 3 241.360 2.532 20 0 BFADHM CC(C)=CCN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629373053 361022142 /nfs/dbraw/zinc/02/21/42/361022142.db2.gz JGMGFNPGPHFZCC-AGIUHOORSA-N -1 3 237.343 2.528 20 0 BFADHM CC(C)=CCN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629373055 361023606 /nfs/dbraw/zinc/02/36/06/361023606.db2.gz JGMGFNPGPHFZCC-FRRDWIJNSA-N -1 3 237.343 2.528 20 0 BFADHM CC[C@H](C)[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640379058 361191438 /nfs/dbraw/zinc/19/14/38/361191438.db2.gz CAGKIROLOKMTLU-IUCAKERBSA-N -1 3 246.314 2.579 20 0 BFADHM O=C(NC1CCC1)c1cc2c(cc1[O-])CCCC2 ZINC000436482104 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369223911 /nfs/dbraw/zinc/22/39/11/369223911.db2.gz HHKWZGCOBVUTLT-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM Cc1cccc(C(=O)N(C)C[C@@H]2CC2(C)C)c1[O-] ZINC000621053417 370086841 /nfs/dbraw/zinc/08/68/41/370086841.db2.gz BWQHKYWWTOTAGK-NSHDSACASA-N -1 3 247.338 2.819 20 0 BFADHM CC1(CNc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000623777308 371089503 /nfs/dbraw/zinc/08/95/03/371089503.db2.gz ZLHRWKFZSWTNJV-UHFFFAOYSA-N -1 3 243.310 2.790 20 0 BFADHM Cc1cccc2cc(C(=O)[N-]c3cnoc3)oc21 ZINC000623938756 371167969 /nfs/dbraw/zinc/16/79/69/371167969.db2.gz CMCWFVYIZKOIIA-UHFFFAOYSA-N -1 3 242.234 2.982 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000624027420 371257780 /nfs/dbraw/zinc/25/77/80/371257780.db2.gz TWSJMJFTSLCERD-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM CC1(C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000229631636 372175531 /nfs/dbraw/zinc/17/55/31/372175531.db2.gz IYJSHBSIDSEXOY-UHFFFAOYSA-N -1 3 223.238 2.635 20 0 BFADHM CC(C)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000172156138 372890362 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UTZVIIJBUOTEGX-JTQLQIEISA-N -1 3 223.703 2.688 20 0 BFADHM CCCOc1ccc(NC(=O)[N-]OCC)cc1 ZINC000184245299 169320082 /nfs/dbraw/zinc/32/00/82/169320082.db2.gz IKBHAESEMCDSOA-UHFFFAOYSA-N -1 3 238.287 2.548 20 0 BFADHM CCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000036791179 169364527 /nfs/dbraw/zinc/36/45/27/169364527.db2.gz UGNIPYPIUAPUOP-SECBINFHSA-N -1 3 239.315 2.907 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CC[C@H]2C)c1 ZINC000088707538 383918925 /nfs/dbraw/zinc/91/89/25/383918925.db2.gz KZJVMXADYJNJSX-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM CC/C=C(\C)C(=O)Nc1ccc(C)cc1[O-] ZINC000088359227 383894243 /nfs/dbraw/zinc/89/42/43/383894243.db2.gz ROTNOJNCCRUIFZ-BJMVGYQFSA-N -1 3 219.284 2.995 20 0 BFADHM CCC1(CC)CN(C(=O)c2cccc([O-])c2)C1 ZINC000294085597 383983430 /nfs/dbraw/zinc/98/34/30/383983430.db2.gz ICPSYAFWMWPFQG-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM Cc1ccc(NC(=O)[C@@H](C)C(C)C)c([O-])c1 ZINC000069687915 384058372 /nfs/dbraw/zinc/05/83/72/384058372.db2.gz FJBTWBOZZWACEQ-JTQLQIEISA-N -1 3 221.300 2.931 20 0 BFADHM O=C(CCC1CC1)Nc1ccccc1[O-] ZINC000115708309 384096144 /nfs/dbraw/zinc/09/61/44/384096144.db2.gz LGNZLGMLXQZETP-UHFFFAOYSA-N -1 3 205.257 2.521 20 0 BFADHM CCCCC(=O)Nc1ccc([O-])cc1F ZINC000082879378 384273608 /nfs/dbraw/zinc/27/36/08/384273608.db2.gz AHWADNIXPSQFBU-UHFFFAOYSA-N -1 3 211.236 2.660 20 0 BFADHM Cc1ccc(NCc2nc(C)ccc2[O-])c(C)n1 ZINC000094664816 384309826 /nfs/dbraw/zinc/30/98/26/384309826.db2.gz VBBSPQRSINEIJU-UHFFFAOYSA-N -1 3 243.310 2.720 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)CCC[C@@H]2C)n1 ZINC000119922657 384317349 /nfs/dbraw/zinc/31/73/49/384317349.db2.gz LNJOCACPYVNMPY-QWRGUYRKSA-N -1 3 249.358 2.508 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000094105850 384289345 /nfs/dbraw/zinc/28/93/45/384289345.db2.gz CVTGOVZOOWXISG-CYBMUJFWSA-N -1 3 245.322 2.797 20 0 BFADHM O=C(/C=C/c1cccc(F)c1)[N-]OC1CCCC1 ZINC000135132667 384415972 /nfs/dbraw/zinc/41/59/72/384415972.db2.gz LJIOAIGANSYKJM-CMDGGOBGSA-N -1 3 249.285 2.829 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)C(C)(C)C)c1 ZINC000335750132 384494003 /nfs/dbraw/zinc/49/40/03/384494003.db2.gz LYRGUIZKKFJQSP-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000049357529 384531182 /nfs/dbraw/zinc/53/11/82/384531182.db2.gz JSAFEXZGTHMPTA-BQBZGAKWSA-N -1 3 245.681 2.603 20 0 BFADHM Cc1cc(C(=O)NC[C@H]2CCC[C@H]2C)ccc1[O-] ZINC000232386289 259654577 /nfs/dbraw/zinc/65/45/77/259654577.db2.gz LXGRJFVUWMEFBW-ZWNOBZJWSA-N -1 3 247.338 2.867 20 0 BFADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000124655279 384664729 /nfs/dbraw/zinc/66/47/29/384664729.db2.gz KCWATJOQGFOSFF-QWRGUYRKSA-N -1 3 233.311 2.795 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042435363 384640514 /nfs/dbraw/zinc/64/05/14/384640514.db2.gz MPDMWHUNZWGOAZ-MNOVXSKESA-N -1 3 235.327 2.865 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c([O-])c1 ZINC000184898911 384661096 /nfs/dbraw/zinc/66/10/96/384661096.db2.gz YKPVOJPBMDOOGY-MNOVXSKESA-N -1 3 233.311 2.931 20 0 BFADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000185622202 384749059 /nfs/dbraw/zinc/74/90/59/384749059.db2.gz CUTHOKGDSOIQEY-ZJUUUORDSA-N -1 3 237.274 2.762 20 0 BFADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccccc2)n1 ZINC000103340691 384761823 /nfs/dbraw/zinc/76/18/23/384761823.db2.gz OFGQCTTVUXUYCE-LBPRGKRZSA-N -1 3 242.322 2.946 20 0 BFADHM CCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186323878 384835153 /nfs/dbraw/zinc/83/51/53/384835153.db2.gz GTAQMFDFBOEGDF-VIFPVBQESA-N -1 3 219.284 2.642 20 0 BFADHM CC(C)(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000174885538 384847224 /nfs/dbraw/zinc/84/72/24/384847224.db2.gz HDLHXBQLVFUQLQ-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000174906459 384850613 /nfs/dbraw/zinc/85/06/13/384850613.db2.gz IYKWWTCRIKVSOY-SSDOTTSWSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]2C)c1 ZINC000177044224 384851875 /nfs/dbraw/zinc/85/18/75/384851875.db2.gz SAKYQFMIKKFZCN-WDEREUQCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H]2C)c1 ZINC000177044239 384852000 /nfs/dbraw/zinc/85/20/00/384852000.db2.gz SAKYQFMIKKFZCN-GHMZBOCLSA-N -1 3 233.311 2.571 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187012213 384901816 /nfs/dbraw/zinc/90/18/16/384901816.db2.gz NSGHPBZCGXQCBU-UHFFFAOYSA-N -1 3 244.241 2.871 20 0 BFADHM C[C@@H]1CCCN(Cc2occc2C(=O)[O-])[C@H]1C ZINC000252134784 384917498 /nfs/dbraw/zinc/91/74/98/384917498.db2.gz LJBGMEDUAWGPHJ-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM CCc1cccc(C(=O)NC2CCCC2)c1[O-] ZINC000530638308 385003637 /nfs/dbraw/zinc/00/36/37/385003637.db2.gz OYCHHXSPKAQZEU-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CCc1ccc(C(=O)N(C)CCC2CC2)c([O-])c1 ZINC000188487779 385058255 /nfs/dbraw/zinc/05/82/55/385058255.db2.gz DPZGBODYOYGISQ-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1csc(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000019840497 385113555 /nfs/dbraw/zinc/11/35/55/385113555.db2.gz IKOLHYTXASLOMY-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccc(C(=O)Nc2cccc(C)n2)c([O-])c1 ZINC000019839175 385114423 /nfs/dbraw/zinc/11/44/23/385114423.db2.gz JENNOBJWFZZCBY-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C/C=C(\CC)C(=O)Nc1ccccc1[O-] ZINC000190171014 385215999 /nfs/dbraw/zinc/21/59/99/385215999.db2.gz KLSQLTBTCYSZRZ-YCRREMRBSA-N -1 3 205.257 2.687 20 0 BFADHM Cc1ccc([O-])c(CN(C)[C@@H](C)c2ccco2)n1 ZINC000131049349 385306046 /nfs/dbraw/zinc/30/60/46/385306046.db2.gz ZJQWNOVSYSRTHO-NSHDSACASA-N -1 3 246.310 2.882 20 0 BFADHM CCc1ccc(C(=O)N(CC)CC2CC2)c([O-])c1 ZINC000191583593 385307621 /nfs/dbraw/zinc/30/76/21/385307621.db2.gz BAVMFDZFPVIXEN-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1 ZINC000153773162 385278799 /nfs/dbraw/zinc/27/87/99/385278799.db2.gz WVQVRHAUUHXRBT-RYUDHWBXSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C3CC3)C2)ccc1[O-] ZINC000336369987 385282243 /nfs/dbraw/zinc/28/22/43/385282243.db2.gz DEPOFINQJWYSRM-ZDUSSCGKSA-N -1 3 245.322 2.573 20 0 BFADHM CO[N-]C(=O)CCCc1csc2ccccc12 ZINC000153832973 385284424 /nfs/dbraw/zinc/28/44/24/385284424.db2.gz IEJUSFSAYATCSW-UHFFFAOYSA-N -1 3 249.335 2.902 20 0 BFADHM CC(C)C[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272724098 385383034 /nfs/dbraw/zinc/38/30/34/385383034.db2.gz IBYSXNJWLZKMRK-GFCCVEGCSA-N -1 3 247.338 2.900 20 0 BFADHM CCc1cc(C(=O)NC[C@@H](C)C2CC2)ccc1[O-] ZINC000643964133 385325961 /nfs/dbraw/zinc/32/59/61/385325961.db2.gz IGXKCZYGPMPDNH-SNVBAGLBSA-N -1 3 247.338 2.731 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000272707192 385328099 /nfs/dbraw/zinc/32/80/99/385328099.db2.gz XHXKHGGEUDOIHZ-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM CCO[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000179698656 385484041 /nfs/dbraw/zinc/48/40/41/385484041.db2.gz LVQZLLILJLCOBK-GFCCVEGCSA-N -1 3 235.327 2.713 20 0 BFADHM CC(=O)[N-]O[C@H](C)CCSc1ccccc1 ZINC000180801842 385547412 /nfs/dbraw/zinc/54/74/12/385547412.db2.gz PXTVSKGABVLBNA-SNVBAGLBSA-N -1 3 239.340 2.625 20 0 BFADHM CCCO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000493108920 385519530 /nfs/dbraw/zinc/51/95/30/385519530.db2.gz UHSUSZWDDVRONR-VYELJELPSA-N -1 3 249.310 2.874 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2ccncc2C)c1 ZINC000107038855 385552932 /nfs/dbraw/zinc/55/29/32/385552932.db2.gz CYZVQQBWBZFRLP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CSC[C@H](C)NCc1cccc([O-])c1Cl ZINC000293583187 385665134 /nfs/dbraw/zinc/66/51/34/385665134.db2.gz NVNXYPOCNDPRON-QMMMGPOBSA-N -1 3 245.775 2.887 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(C)cc1Cl ZINC000182870284 385714879 /nfs/dbraw/zinc/71/48/79/385714879.db2.gz VXINKPCJMPGDJH-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM Cc1nsc([N-]C(=O)c2ccoc2C2CC2)n1 ZINC000282778959 385786060 /nfs/dbraw/zinc/78/60/60/385786060.db2.gz YAFBEKBCTVSTLH-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM O=[S@@](CC1CCCC1)c1ccc([O-])cc1 ZINC000183459450 385763910 /nfs/dbraw/zinc/76/39/10/385763910.db2.gz NDSNFHUPDARMKV-HNNXBMFYSA-N -1 3 224.325 2.690 20 0 BFADHM O=C([O-])c1ccc(CN2CCCCC2)c(F)c1 ZINC000062749696 385777053 /nfs/dbraw/zinc/77/70/53/385777053.db2.gz XVYLWROKAXQHCG-UHFFFAOYSA-N -1 3 237.274 2.510 20 0 BFADHM CC1(C)C[C@@H]1NCc1c(F)ccc([O-])c1F ZINC000294159544 385815338 /nfs/dbraw/zinc/81/53/38/385815338.db2.gz INSGCRLFJSOQAW-JTQLQIEISA-N -1 3 227.254 2.559 20 0 BFADHM CCOC(=O)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC000260421072 385843169 /nfs/dbraw/zinc/84/31/69/385843169.db2.gz PMTMNQZSYOLHHL-UHFFFAOYSA-N -1 3 248.200 2.517 20 0 BFADHM CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H]2C)c([O-])c1 ZINC000294046241 385793352 /nfs/dbraw/zinc/79/33/52/385793352.db2.gz KJQYNWAHZFCBQP-WDEREUQCSA-N -1 3 247.338 2.996 20 0 BFADHM CCO[N-]C(=O)Nc1cccc2c1CCCC2 ZINC000272396024 385899720 /nfs/dbraw/zinc/89/97/20/385899720.db2.gz WOMWRDILVYGLEP-UHFFFAOYSA-N -1 3 234.299 2.638 20 0 BFADHM CCCCN(C)Cc1c(F)ccc([O-])c1F ZINC000294897123 385911585 /nfs/dbraw/zinc/91/15/85/385911585.db2.gz MEZPSORINPIAER-UHFFFAOYSA-N -1 3 229.270 2.902 20 0 BFADHM Cc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)ccc1[O-] ZINC000413971779 385918172 /nfs/dbraw/zinc/91/81/72/385918172.db2.gz IVVNVZSJLBUDHR-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@]12C[C@H]1CCC2 ZINC000335018547 385977508 /nfs/dbraw/zinc/97/75/08/385977508.db2.gz UOJNAZKVRDENDU-AMIZOPFISA-N -1 3 235.258 2.660 20 0 BFADHM CCN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000233442786 385957783 /nfs/dbraw/zinc/95/77/83/385957783.db2.gz RMWNCNUMZUXFPI-UHFFFAOYSA-N -1 3 239.702 2.670 20 0 BFADHM Cc1ccsc1C[N-]c1nnc(C(F)F)o1 ZINC000189282172 385972352 /nfs/dbraw/zinc/97/23/52/385972352.db2.gz RDQIMNNHJVOIHF-UHFFFAOYSA-N -1 3 245.254 2.989 20 0 BFADHM CN(Cc1cccc([O-])c1Cl)C1CC1 ZINC000295368294 386020148 /nfs/dbraw/zinc/02/01/48/386020148.db2.gz OHGOXIBWQNZDGW-UHFFFAOYSA-N -1 3 211.692 2.640 20 0 BFADHM CC[C@](C)(OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000234165099 386030903 /nfs/dbraw/zinc/03/09/03/386030903.db2.gz XOLNMHOGXBZOPL-ZDUSSCGKSA-N -1 3 248.282 2.714 20 0 BFADHM CN(CC1CC1)C(=O)c1cc([O-])ccc1Cl ZINC000234275484 386044860 /nfs/dbraw/zinc/04/48/60/386044860.db2.gz DEKLEHSCCWYPAP-UHFFFAOYSA-N -1 3 239.702 2.528 20 0 BFADHM CCO[N-]C(=O)Nc1cc(C)c(F)cc1Cl ZINC000287408314 386119511 /nfs/dbraw/zinc/11/95/11/386119511.db2.gz CEQBLSAENMZWCM-UHFFFAOYSA-N -1 3 246.669 2.861 20 0 BFADHM C[C@@]1(F)CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000296142364 386142136 /nfs/dbraw/zinc/14/21/36/386142136.db2.gz VHXOGABGTXAJRK-CYBMUJFWSA-N -1 3 241.281 2.855 20 0 BFADHM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000131573083 386211808 /nfs/dbraw/zinc/21/18/08/386211808.db2.gz FRDKGMHFMNGJTM-GFCCVEGCSA-N -1 3 247.338 2.900 20 0 BFADHM CC(F)(F)C(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000288627150 386223543 /nfs/dbraw/zinc/22/35/43/386223543.db2.gz SFCGTLRYPNWXOZ-SNVBAGLBSA-N -1 3 243.228 2.584 20 0 BFADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1c(F)cccc1F ZINC000288664363 386225466 /nfs/dbraw/zinc/22/54/66/386225466.db2.gz WALGFIHHLCKDBW-ZCFIWIBFSA-N -1 3 249.207 2.797 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2C)n1 ZINC000339116560 386258872 /nfs/dbraw/zinc/25/88/72/386258872.db2.gz QTUPCGBPWBFEGN-FPLPWBNLSA-N -1 3 226.279 2.969 20 0 BFADHM CCc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1 ZINC000276390719 386313108 /nfs/dbraw/zinc/31/31/08/386313108.db2.gz RUJVNLHFBZUXCW-UHFFFAOYSA-N -1 3 249.285 2.654 20 0 BFADHM CCc1ccc(C(=O)N(C(C)C)C2CC2)c([O-])c1 ZINC000276389900 386313882 /nfs/dbraw/zinc/31/38/82/386313882.db2.gz RFWMORXXXBEFHC-UHFFFAOYSA-N -1 3 247.338 2.968 20 0 BFADHM CCC1(C(=O)Nc2ncccc2[O-])CCCC1 ZINC000180996966 386316723 /nfs/dbraw/zinc/31/67/23/386316723.db2.gz UFIQOXJBRVMLDS-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM CC(C)(C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000181003342 386319617 /nfs/dbraw/zinc/31/96/17/386319617.db2.gz UHLAIQNNBZSEIC-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cn1 ZINC000289228410 386274268 /nfs/dbraw/zinc/27/42/68/386274268.db2.gz NQCBRLDMJUCBGW-ZCFIWIBFSA-N -1 3 248.660 2.567 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)ccc1[O-] ZINC000227034513 386449807 /nfs/dbraw/zinc/44/98/07/386449807.db2.gz FGEJYHZSBZUZPD-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)N[C@@H](C)CC(C)C)ccc1[O-] ZINC000227041733 386450759 /nfs/dbraw/zinc/45/07/59/386450759.db2.gz UWZFZICGVOSARL-NSHDSACASA-N -1 3 235.327 2.865 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000290969401 386494064 /nfs/dbraw/zinc/49/40/64/386494064.db2.gz SILUJWVRCVNVLL-GFCCVEGCSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)ccc1[O-] ZINC000227052165 386453379 /nfs/dbraw/zinc/45/33/79/386453379.db2.gz CFVXGLWPMHGDRL-PWSUYJOCSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1cc(C(=O)N2CCC[C@@H]2C)ccc1[O-] ZINC000291716143 386574749 /nfs/dbraw/zinc/57/47/49/386574749.db2.gz AULWSPNFIOOYTP-JTQLQIEISA-N -1 3 233.311 2.579 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2CC=CCC2)ccc1[O-] ZINC000291846101 386590614 /nfs/dbraw/zinc/59/06/14/386590614.db2.gz FTHVHECTLCAOKB-CYBMUJFWSA-N -1 3 245.322 2.793 20 0 BFADHM CO[N-]C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000267852918 386592795 /nfs/dbraw/zinc/59/27/95/386592795.db2.gz LVAUGIZNJFZEND-UHFFFAOYSA-N -1 3 241.718 2.586 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc(C)o1 ZINC000292038337 386610156 /nfs/dbraw/zinc/61/01/56/386610156.db2.gz DKEMHFDKHQLIQA-QROSGCPLSA-N -1 3 237.299 2.695 20 0 BFADHM CCc1cccc(C(=O)N2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000526933939 386704756 /nfs/dbraw/zinc/70/47/56/386704756.db2.gz KPHQHBSSOYRCOE-UWVGGRQHSA-N -1 3 233.311 2.578 20 0 BFADHM CCc1ccc(CNCc2ncccc2[O-])s1 ZINC000526990467 386722427 /nfs/dbraw/zinc/72/24/27/386722427.db2.gz AVQJCOARAONEIR-UHFFFAOYSA-N -1 3 248.351 2.701 20 0 BFADHM CC(=O)c1cccc(NC(=O)C2=CCCC2)c1[O-] ZINC000335541261 386723162 /nfs/dbraw/zinc/72/31/62/386723162.db2.gz DDRZBJDFQPRDHD-UHFFFAOYSA-N -1 3 245.278 2.644 20 0 BFADHM CCc1cc(C(=O)N2CC(C)(CC)C2)ccc1[O-] ZINC000292995823 386762083 /nfs/dbraw/zinc/76/20/83/386762083.db2.gz YRLYCFGZQKRNQF-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM O=C(N[C@H](C1CC1)C1CCC1)c1cccc([O-])c1 ZINC000325318719 386776855 /nfs/dbraw/zinc/77/68/55/386776855.db2.gz VKTXHZVRJUZFSW-AWEZNQCLSA-N -1 3 245.322 2.701 20 0 BFADHM CO[C@@H](c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000280278630 386798069 /nfs/dbraw/zinc/79/80/69/386798069.db2.gz LNIXKMWGKLWXHM-LLVKDONJSA-N -1 3 246.266 2.540 20 0 BFADHM CO[C@H](c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000280278635 386798425 /nfs/dbraw/zinc/79/84/25/386798425.db2.gz LNIXKMWGKLWXHM-NSHDSACASA-N -1 3 246.266 2.540 20 0 BFADHM C[C@H](CC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000358111222 386893286 /nfs/dbraw/zinc/89/32/86/386893286.db2.gz MANWSMRKPKKQBS-SECBINFHSA-N -1 3 236.315 2.798 20 0 BFADHM CCC1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000293694754 386864580 /nfs/dbraw/zinc/86/45/80/386864580.db2.gz SQCLXEQCULJNKB-UHFFFAOYSA-N -1 3 241.281 2.950 20 0 BFADHM Cc1cc(C)c(CC(=O)[N-]OCC2CC2)c(C)c1 ZINC000293784732 386879475 /nfs/dbraw/zinc/87/94/75/386879475.db2.gz NZCDBKYVBYYHNX-UHFFFAOYSA-N -1 3 247.338 2.612 20 0 BFADHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000293836642 386886224 /nfs/dbraw/zinc/88/62/24/386886224.db2.gz QGGVXBQAQOFFAE-GWCFXTLKSA-N -1 3 249.310 2.536 20 0 BFADHM Cc1o[n-]c(=NC(=O)c2cccc(C)c2C)c1C ZINC000334855087 386906487 /nfs/dbraw/zinc/90/64/87/386906487.db2.gz FBNUODLAGRNLTL-UHFFFAOYSA-N -1 3 244.294 2.582 20 0 BFADHM CC1=C(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000334859090 386911162 /nfs/dbraw/zinc/91/11/62/386911162.db2.gz ILQKVGSKQHTXHK-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)C2CCC2)c1 ZINC000334977929 387064721 /nfs/dbraw/zinc/06/47/21/387064721.db2.gz QDJPQJZTFCHRAS-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\c1ccc(Cl)s1 ZINC000393319025 387156651 /nfs/dbraw/zinc/15/66/51/387156651.db2.gz ZBLAREJTZNCFEM-XQRVVYSFSA-N -1 3 245.731 2.871 20 0 BFADHM O=C(c1ccco1)N1CCCc2cccc([O-])c21 ZINC000063063739 387245272 /nfs/dbraw/zinc/24/52/72/387245272.db2.gz YBVFTWUYKMEPRN-UHFFFAOYSA-N -1 3 243.262 2.578 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])s1)[C@@H]1CC1(C)C ZINC000514945727 387312103 /nfs/dbraw/zinc/31/21/03/387312103.db2.gz XCJXMKYEOACZGE-SNVBAGLBSA-N -1 3 239.340 2.677 20 0 BFADHM C[C@@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000336471676 387301603 /nfs/dbraw/zinc/30/16/03/387301603.db2.gz RQOCWOKGPABGQU-GFCCVEGCSA-N -1 3 245.244 2.604 20 0 BFADHM CC[C@H](C)CCC(=O)N=c1cc2ccccn2[n-]1 ZINC000514879783 387302334 /nfs/dbraw/zinc/30/23/34/387302334.db2.gz ACPITHOHUGXCEL-NSHDSACASA-N -1 3 245.326 2.521 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CC2(C)C)c1 ZINC000336473807 387302942 /nfs/dbraw/zinc/30/29/42/387302942.db2.gz UXAHSYGKMPUXJA-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H]2C(C)C)ccc1[O-] ZINC000336505817 387332190 /nfs/dbraw/zinc/33/21/90/387332190.db2.gz UZFYWLLSEGKIKZ-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(CC)C2CC2)c1 ZINC000354154098 387338932 /nfs/dbraw/zinc/33/89/32/387338932.db2.gz SJCNFUQFOQLHAR-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM CC1(C)CC(C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000354522161 387388055 /nfs/dbraw/zinc/38/80/55/387388055.db2.gz QAUKUQYWSNNUCD-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(NCCC1CCCC1)c1ccccc1[O-] ZINC000031934406 387507390 /nfs/dbraw/zinc/50/73/90/387507390.db2.gz BFAJOPNSLVIIAI-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C)cc1[O-] ZINC000399551468 387552497 /nfs/dbraw/zinc/55/24/97/387552497.db2.gz AHZPWLMLXUUUMJ-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C)cc1[O-] ZINC000399551470 387553319 /nfs/dbraw/zinc/55/33/19/387553319.db2.gz AHZPWLMLXUUUMJ-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H](F)CCNC(=O)c1cc([O-])ccc1Cl ZINC000356705437 387704236 /nfs/dbraw/zinc/70/42/36/387704236.db2.gz PFXKIJSMQWAZPV-SSDOTTSWSA-N -1 3 245.681 2.524 20 0 BFADHM CC[C@@H](C)C[S@](=O)c1ccc([O-])cc1 ZINC000151372447 387832426 /nfs/dbraw/zinc/83/24/26/387832426.db2.gz KRXVPBMAADPCNV-YMTOWFKASA-N -1 3 212.314 2.546 20 0 BFADHM CC[C@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000453004455 387957450 /nfs/dbraw/zinc/95/74/50/387957450.db2.gz SZNJHYXTEZKBKS-AAEUAGOBSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)C[C@@H]1C ZINC000085060630 388082630 /nfs/dbraw/zinc/08/26/30/388082630.db2.gz WMOQVVBCSIROBR-NTZNESFSSA-N -1 3 247.338 2.947 20 0 BFADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000449107793 388143823 /nfs/dbraw/zinc/14/38/23/388143823.db2.gz NYTZWXWTKIGIPP-UWVGGRQHSA-N -1 3 234.299 2.552 20 0 BFADHM CCc1cc(=O)[n-]c(CN(C)C2(C)CCCC2)n1 ZINC000489876027 388227080 /nfs/dbraw/zinc/22/70/80/388227080.db2.gz PPKGUZNFIXBPTC-UHFFFAOYSA-N -1 3 249.358 2.509 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCC2CCCC2)c1 ZINC000490148739 388235198 /nfs/dbraw/zinc/23/51/98/388235198.db2.gz NWRTXIKEXYBTJF-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM O=C(/C=C\c1ccc[nH]1)Nc1cccc([O-])c1F ZINC000491982923 388330566 /nfs/dbraw/zinc/33/05/66/388330566.db2.gz ZVYZZKRNYIRKHV-SREVYHEPSA-N -1 3 246.241 2.511 20 0 BFADHM O=C(/C=C/c1cscn1)Nc1ccccc1[O-] ZINC000492304741 388340866 /nfs/dbraw/zinc/34/08/66/388340866.db2.gz QVDMNAHVMCJXKD-AATRIKPKSA-N -1 3 246.291 2.501 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C\C1CCC1 ZINC000492339198 388341913 /nfs/dbraw/zinc/34/19/13/388341913.db2.gz GXXWUZORDNQFGR-HJWRWDBZSA-N -1 3 231.295 2.995 20 0 BFADHM C[C@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000646488481 388366031 /nfs/dbraw/zinc/36/60/31/388366031.db2.gz ZUDKPKWKHPTKNU-NKWVEPMBSA-N -1 3 225.675 2.640 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1(CCF)CC1 ZINC000572696283 388366345 /nfs/dbraw/zinc/36/63/45/388366345.db2.gz JCBMPLMIJUXZLE-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM Cc1ccc(-c2nc(=O)c3cc(C)sc3[n-]2)o1 ZINC000193916860 388470961 /nfs/dbraw/zinc/47/09/61/388470961.db2.gz MXGAPVDVLIEDNP-UHFFFAOYSA-N -1 3 246.291 2.861 20 0 BFADHM CCN(CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000310258886 388478546 /nfs/dbraw/zinc/47/85/46/388478546.db2.gz LOJRBMUGCMARQW-UHFFFAOYSA-N -1 3 235.327 2.900 20 0 BFADHM Cc1ccc(SCc2ncccc2[O-])nc1 ZINC000517214034 388542286 /nfs/dbraw/zinc/54/22/86/388542286.db2.gz JWHQGWPIJGJLPG-UHFFFAOYSA-N -1 3 232.308 2.783 20 0 BFADHM CC(C)=CCCNC(=O)c1cc(C)ccc1[O-] ZINC000397764063 388497025 /nfs/dbraw/zinc/49/70/25/388497025.db2.gz RGJOWPZMOUGBRX-UHFFFAOYSA-N -1 3 233.311 2.787 20 0 BFADHM CC(C)=CCCNC(=O)c1cccc(C)c1[O-] ZINC000397760244 388497316 /nfs/dbraw/zinc/49/73/16/388497316.db2.gz PWAUUFKURXALMW-UHFFFAOYSA-N -1 3 233.311 2.787 20 0 BFADHM O=C(CCC1CC1)Nc1ccc([O-])cc1F ZINC000360834386 388559558 /nfs/dbraw/zinc/55/95/58/388559558.db2.gz JOZIOKBXHTYSOG-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc([O-])c2F)[C@@H]1C1CC1 ZINC000528918416 388582845 /nfs/dbraw/zinc/58/28/45/388582845.db2.gz MMAHAWLKZKQSLQ-CQFDHEJISA-N -1 3 249.285 2.762 20 0 BFADHM Cc1ccc(C)c(NC(=O)[N-]c2cnns2)c1 ZINC000192321741 388677967 /nfs/dbraw/zinc/67/79/67/388677967.db2.gz CCXIIUJZFXZCAM-UHFFFAOYSA-N -1 3 248.311 2.799 20 0 BFADHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H](C)C1 ZINC000252087110 388759873 /nfs/dbraw/zinc/75/98/73/388759873.db2.gz GQKFFPVVVOFPSV-GDNZZTSVSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000228854058 388776652 /nfs/dbraw/zinc/77/66/52/388776652.db2.gz VLPXLMNRPSXAAB-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000229427109 388788924 /nfs/dbraw/zinc/78/89/24/388788924.db2.gz UVZFJADSBZPJTF-GRYCIOLGSA-N -1 3 247.338 2.899 20 0 BFADHM CCc1cccc(C(=O)N(C)C(C)(C)C)c1[O-] ZINC000649119071 388821559 /nfs/dbraw/zinc/82/15/59/388821559.db2.gz FROCGDJZIVRXCX-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM C[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000230428751 388827313 /nfs/dbraw/zinc/82/73/13/388827313.db2.gz LOYVICNTKMWZNU-MNOVXSKESA-N -1 3 233.311 2.558 20 0 BFADHM CC(C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000232621091 388854740 /nfs/dbraw/zinc/85/47/40/388854740.db2.gz WKVDVWAUOWSSSR-UHFFFAOYSA-N -1 3 227.691 2.526 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1ccccc1 ZINC000129634876 388861992 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398087116 /nfs/dbraw/zinc/08/71/16/398087116.db2.gz CJNKJIFCURQDNY-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H]2C)c1 ZINC000051746364 398058710 /nfs/dbraw/zinc/05/87/10/398058710.db2.gz MZEMMIKAYUGVPA-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(F)cc1 ZINC000291692717 398098646 /nfs/dbraw/zinc/09/86/46/398098646.db2.gz DREGUFWAPMPWAQ-SECBINFHSA-N -1 3 240.278 2.925 20 0 BFADHM Cc1cc(C)cc(NC(=O)[N-]OCC2CC2)c1 ZINC000292643046 398107169 /nfs/dbraw/zinc/10/71/69/398107169.db2.gz KLSVFEQANUWBFG-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM CC[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956131 398123035 /nfs/dbraw/zinc/12/30/35/398123035.db2.gz CGQPYQWOKSQEMO-MRVPVSSYSA-N -1 3 218.256 2.956 20 0 BFADHM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]OC(C)C ZINC000295523569 398134232 /nfs/dbraw/zinc/13/42/32/398134232.db2.gz IUTPREQFKSYRJY-VHSXEESVSA-N -1 3 239.340 2.616 20 0 BFADHM CC(C)=CCCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660749855 487604082 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20 0 BFADHM CC(C)CCN(C)C(=O)c1ccccc1[O-] ZINC000042239463 410977437 /nfs/dbraw/zinc/97/74/37/410977437.db2.gz WZVSZJAKOPXHBU-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM Cc1cccc(C(=O)Nc2cccc(O)c2)c1[O-] ZINC000020212122 411063448 /nfs/dbraw/zinc/06/34/48/411063448.db2.gz MWMSRQZZUFHQHF-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM Cc1oc([C@H](C)N2CCCCC2)cc1C(=O)[O-] ZINC000652451207 411245873 /nfs/dbraw/zinc/24/58/73/411245873.db2.gz UBHLDXGXIFISDT-VIFPVBQESA-N -1 3 237.299 2.833 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1C ZINC000652411209 411232949 /nfs/dbraw/zinc/23/29/49/411232949.db2.gz OEXMMYHUUPMIKJ-VIFPVBQESA-N -1 3 237.299 2.525 20 0 BFADHM Cc1cccc(C(=O)N2CCC23CCCC3)c1[O-] ZINC000652580628 411280552 /nfs/dbraw/zinc/28/05/52/411280552.db2.gz WTHIBLUOZBDCKW-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM CCc1cccc2cc(CNCCC(=O)[O-])oc21 ZINC000656564647 411302218 /nfs/dbraw/zinc/30/22/18/411302218.db2.gz SSTNSZWIVUCNNN-UHFFFAOYSA-N -1 3 247.294 2.560 20 0 BFADHM 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CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccccc1[O-] ZINC000336321486 171116965 /nfs/dbraw/zinc/11/69/65/171116965.db2.gz BTLJOHTUIPMPJX-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000124487397 171207765 /nfs/dbraw/zinc/20/77/65/171207765.db2.gz QRQAHSJWQHFKOI-ZANVPECISA-N -1 3 237.274 2.906 20 0 BFADHM CC[C@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000191399040 171236748 /nfs/dbraw/zinc/23/67/48/171236748.db2.gz NHFXOVUHFLIUHH-NXEZZACHSA-N -1 3 239.340 2.748 20 0 BFADHM CC[C@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000189555917 171261154 /nfs/dbraw/zinc/26/11/54/171261154.db2.gz QHTJUIJFRLNLHQ-VIFPVBQESA-N -1 3 239.290 2.584 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226996980 171271888 /nfs/dbraw/zinc/27/18/88/171271888.db2.gz HDFQMFHIAQIFAY-JTQLQIEISA-N -1 3 235.327 2.819 20 0 BFADHM CC[C@H](C)CON=C([O-])Nc1ccccc1F ZINC000291918661 171289847 /nfs/dbraw/zinc/28/98/47/171289847.db2.gz RLQUFKHYWXILIY-VIFPVBQESA-N -1 3 240.278 2.925 20 0 BFADHM 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ZINC000542098139 325008517 /nfs/dbraw/zinc/00/85/17/325008517.db2.gz LVOLUPIMNMPZJI-UHFFFAOYSA-N -1 3 243.303 2.611 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C)c1[O-] ZINC000071209714 325061374 /nfs/dbraw/zinc/06/13/74/325061374.db2.gz MWEWCZMNGJUVNS-CABZTGNLSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C)c1 ZINC000071209696 325061713 /nfs/dbraw/zinc/06/17/13/325061713.db2.gz YJZBIXVEJDTISV-PWSUYJOCSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000132933934 325255284 /nfs/dbraw/zinc/25/52/84/325255284.db2.gz QUVGYZKNBQHCCP-GXSJLCMTSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C(C)C)C2)c1 ZINC000134969296 325385371 /nfs/dbraw/zinc/38/53/71/325385371.db2.gz DFZFQMYGXPJOKU-GFCCVEGCSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000135776541 325426579 /nfs/dbraw/zinc/42/65/79/325426579.db2.gz AWLCQOZPEFOXHD-RNCFNFMXSA-N -1 3 219.284 2.767 20 0 BFADHM C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC000252967224 325701494 /nfs/dbraw/zinc/70/14/94/325701494.db2.gz UDGDXDYXMXLJTD-XYPYZODXSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cnc([N-]c2ncnc3ncccc23)s1 ZINC000163075149 325759612 /nfs/dbraw/zinc/75/96/12/325759612.db2.gz CBNMPOVHRUUHAC-UHFFFAOYSA-N -1 3 243.295 2.533 20 0 BFADHM CCc1cccc(C(=O)N(CC)CC2CC2)c1[O-] ZINC000156219820 326222955 /nfs/dbraw/zinc/22/29/55/326222955.db2.gz VJWDPNBXSSHDQD-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1ccc(C(=O)N2CC(C(C)C)C2)c([O-])c1 ZINC000682516418 487974050 /nfs/dbraw/zinc/97/40/50/487974050.db2.gz NTRROMLWXAZKAS-UHFFFAOYSA-N -1 3 247.338 2.683 20 0 BFADHM CCCN(C)C(=O)c1cc(SC)ccc1[O-] ZINC000667553096 488042556 /nfs/dbraw/zinc/04/25/56/488042556.db2.gz DAUZLVHHMHUZPC-UHFFFAOYSA-N -1 3 239.340 2.596 20 0 BFADHM CC(=O)c1ccc([O-])c(O[C@@H](C)C(C)C)c1O ZINC001226483295 974924157 /nfs/dbraw/zinc/92/41/57/974924157.db2.gz UVFGPFRFURHSHW-VIFPVBQESA-N -1 3 238.283 2.724 20 0 BFADHM CSc1ccncc1[N-]C(=O)c1occc1C ZINC000674257016 487539540 /nfs/dbraw/zinc/53/95/40/487539540.db2.gz YDXWUMVSPULVLI-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])c1ccco1 ZINC000674014973 487501364 /nfs/dbraw/zinc/50/13/64/487501364.db2.gz AWBXXNLKLWCFQW-QMMMGPOBSA-N -1 3 249.241 2.867 20 0 BFADHM C[C@@H]1CCN(Cc2occc2C(=O)[O-])[C@H](C)C1 ZINC000051733307 487785636 /nfs/dbraw/zinc/78/56/36/487785636.db2.gz HJMWIXBGLIIXNL-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM CCc1cc(=O)[n-]c(CN(C(C)C)C2CCC2)n1 ZINC000121413985 487864022 /nfs/dbraw/zinc/86/40/22/487864022.db2.gz QMEYOLCNIWPQIF-UHFFFAOYSA-N -1 3 249.358 2.508 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2F)n1 ZINC000167550388 488190544 /nfs/dbraw/zinc/19/05/44/488190544.db2.gz DRBOTJGGUSGMRZ-HYXAFXHYSA-N -1 3 248.232 2.939 20 0 BFADHM [O-]c1ccc(-c2noc(-c3nccs3)n2)cc1 ZINC000683668784 488206353 /nfs/dbraw/zinc/20/63/53/488206353.db2.gz JHHWDHXLJOMGGB-UHFFFAOYSA-N -1 3 245.263 2.566 20 0 BFADHM CCCN(CC)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432254 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/nfs/dbraw/zinc/60/38/08/584603808.db2.gz JCNVODNKDZIUNQ-PSKZRQQASA-N -1 3 249.310 2.656 20 0 BFADHM Cc1oc(CN[C@@H]2C[C@H]2C2CCC2)cc1C(=O)[O-] ZINC000902468902 584615924 /nfs/dbraw/zinc/61/59/24/584615924.db2.gz ZYFJOLNFCJKNHS-QWHCGFSZSA-N -1 3 249.310 2.564 20 0 BFADHM C[C@@H](C1CC1)N(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902555203 584633868 /nfs/dbraw/zinc/63/38/68/584633868.db2.gz ZKSYNDRAORIXRN-JARNTUPDSA-N -1 3 249.310 2.608 20 0 BFADHM CC(C)[C@H]1CCN1Cc1ccc(C(=O)[O-])s1 ZINC000903674849 584789390 /nfs/dbraw/zinc/78/93/90/584789390.db2.gz SSKWTXJYSJREBP-SNVBAGLBSA-N -1 3 239.340 2.677 20 0 BFADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153467389 584912661 /nfs/dbraw/zinc/91/26/61/584912661.db2.gz HCECQHNQYPUEIR-POYBYMJQSA-N -1 3 225.675 2.640 20 0 BFADHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000732394181 584936767 /nfs/dbraw/zinc/93/67/67/584936767.db2.gz YIWYSCOVMAUXOH-SNVBAGLBSA-N -1 3 243.262 2.705 20 0 BFADHM CCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736664448 585008769 /nfs/dbraw/zinc/00/87/69/585008769.db2.gz LCYTZWOTHZCYIV-QMMMGPOBSA-N -1 3 234.328 2.681 20 0 BFADHM CCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736664448 585008770 /nfs/dbraw/zinc/00/87/70/585008770.db2.gz LCYTZWOTHZCYIV-QMMMGPOBSA-N -1 3 234.328 2.681 20 0 BFADHM O=C(NCC1CC1)c1cc2sccc2c([O-])c1 ZINC000788276602 585029522 /nfs/dbraw/zinc/02/95/22/585029522.db2.gz ADAWVOJBQUOVTK-UHFFFAOYSA-N -1 3 247.319 2.747 20 0 BFADHM C[C@@H]1CN(C([O-])=NOCC2CC2)c2ccccc21 ZINC000838604648 585061246 /nfs/dbraw/zinc/06/12/46/585061246.db2.gz OUIMWWXZXVNYHU-SNVBAGLBSA-N -1 3 246.310 2.661 20 0 BFADHM C[C@@H]1CN(C(=O)[N-]OCC2CC2)c2ccccc21 ZINC000838604648 585061247 /nfs/dbraw/zinc/06/12/47/585061247.db2.gz OUIMWWXZXVNYHU-SNVBAGLBSA-N -1 3 246.310 2.661 20 0 BFADHM CCOc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742221073 585123442 /nfs/dbraw/zinc/12/34/42/585123442.db2.gz XMGBLPSQYZPSDG-VOTSOKGWSA-N -1 3 242.278 2.751 20 0 BFADHM CCC(C)(C)CCOC(=O)c1cncc([O-])c1 ZINC000745002598 585155282 /nfs/dbraw/zinc/15/52/82/585155282.db2.gz PBAHRNLKRDAHKD-UHFFFAOYSA-N -1 3 237.299 2.770 20 0 BFADHM CCC[C@H](C)OC(=O)c1ccc(F)cc1[O-] ZINC000750144553 585211167 /nfs/dbraw/zinc/21/11/67/585211167.db2.gz DGIRAGLNXHBDRX-QMMMGPOBSA-N -1 3 226.247 2.877 20 0 BFADHM CCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000751306993 585226610 /nfs/dbraw/zinc/22/66/10/585226610.db2.gz FQHHNGLRSKVDTR-SNVBAGLBSA-N -1 3 213.321 2.661 20 0 BFADHM C/C=C\COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730054 585235725 /nfs/dbraw/zinc/23/57/25/585235725.db2.gz AULCIJDGFIULEM-IHWYPQMZSA-N -1 3 244.649 2.918 20 0 BFADHM CC1=C(C(=O)[N-]OCc2ccc(F)cc2)CCC1 ZINC000754712360 585289812 /nfs/dbraw/zinc/28/98/12/585289812.db2.gz RKBOKGNOFGFUPR-UHFFFAOYSA-N -1 3 249.285 2.874 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OCc1nccs1 ZINC000758548556 585357206 /nfs/dbraw/zinc/35/72/06/585357206.db2.gz WXMZRDZECWFCKT-UHFFFAOYSA-N -1 3 249.291 2.514 20 0 BFADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OCC(F)F ZINC000759348698 585370693 /nfs/dbraw/zinc/37/06/93/585370693.db2.gz DOSPIAHGYZNCAG-VIFPVBQESA-N -1 3 249.301 2.906 20 0 BFADHM CCC/C=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000759701347 585378975 /nfs/dbraw/zinc/37/89/75/585378975.db2.gz AYNSRRCSURSXGQ-PLNGDYQASA-N -1 3 223.247 2.826 20 0 BFADHM C/C=C/C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000759739695 585379917 /nfs/dbraw/zinc/37/99/17/585379917.db2.gz PUBHQCXSKBRTDA-ONEGZZNKSA-N -1 3 225.675 2.869 20 0 BFADHM Cc1cc(=O)[n-]c(CN(C)[C@H]2CCCC[C@H]2C)n1 ZINC000761863412 585420850 /nfs/dbraw/zinc/42/08/50/585420850.db2.gz IAKLVVVEMDHGIE-PWSUYJOCSA-N -1 3 249.358 2.501 20 0 BFADHM CCC/C=C/C(=O)Nc1cccc([O-])c1F ZINC000762320586 585430803 /nfs/dbraw/zinc/43/08/03/585430803.db2.gz JOEBPJTYGQPUOH-XBXARRHUSA-N -1 3 223.247 2.826 20 0 BFADHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1C ZINC000764433824 585465249 /nfs/dbraw/zinc/46/52/49/585465249.db2.gz FYPIHAFXFZCZTM-GQCTYLIASA-N -1 3 242.278 2.670 20 0 BFADHM Cc1ccc(F)c(C=Cc2nccc(=O)[n-]2)c1 ZINC000764433110 585465280 /nfs/dbraw/zinc/46/52/80/585465280.db2.gz CFNBMNRSQIMCOA-HWKANZROSA-N -1 3 230.242 2.800 20 0 BFADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1F ZINC000764437348 585465685 /nfs/dbraw/zinc/46/56/85/585465685.db2.gz ZHPVGGFAQRWHRJ-HYXAFXHYSA-N -1 3 230.242 2.800 20 0 BFADHM CC(=O)[N-]OCc1c(C)ccc2ccccc21 ZINC000764549308 585467510 /nfs/dbraw/zinc/46/75/10/585467510.db2.gz WXZWADWPUZJPQV-UHFFFAOYSA-N -1 3 229.279 2.716 20 0 BFADHM O=C(OCCCF)c1ccc(Cl)cc1[O-] ZINC000767247122 585515779 /nfs/dbraw/zinc/51/57/79/585515779.db2.gz LWTGGFXRWOAMHW-UHFFFAOYSA-N -1 3 232.638 2.562 20 0 BFADHM CC/C=C\CCOC(=O)c1ccc([O-])cc1 ZINC000767421922 585519738 /nfs/dbraw/zinc/51/97/38/585519738.db2.gz CLFVFUDXRCYTOA-ARJAWSKDSA-N -1 3 220.268 2.905 20 0 BFADHM C/C(=C\C(C)(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000772654545 585620068 /nfs/dbraw/zinc/62/00/68/585620068.db2.gz BQQKDVOGFKDHQI-USKTWTLRSA-N -1 3 241.331 2.553 20 0 BFADHM C[C@@H](CC(C)(C)C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000772654480 585620088 /nfs/dbraw/zinc/62/00/88/585620088.db2.gz AQGQHQXBIQNDJJ-WDEREUQCSA-N -1 3 243.347 2.633 20 0 BFADHM O=C(CCc1cccs1)[N-]Oc1ccccc1 ZINC000773472640 585637668 /nfs/dbraw/zinc/63/76/68/585637668.db2.gz YUBCLVRUVIAGOH-UHFFFAOYSA-N -1 3 247.319 2.791 20 0 BFADHM Cc1ccc(CCC(=O)[N-]OC2CCCC2)o1 ZINC000774874501 585668217 /nfs/dbraw/zinc/66/82/17/585668217.db2.gz GVZATZUNYACIBZ-UHFFFAOYSA-N -1 3 237.299 2.511 20 0 BFADHM CCON=C([O-])N1C[C@H](C(C)C)c2ccccc21 ZINC000774980273 585669881 /nfs/dbraw/zinc/66/98/81/585669881.db2.gz XKTBMRBMJJQZBS-GFCCVEGCSA-N -1 3 248.326 2.907 20 0 BFADHM CCO[N-]C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000774980273 585669882 /nfs/dbraw/zinc/66/98/82/585669882.db2.gz XKTBMRBMJJQZBS-GFCCVEGCSA-N -1 3 248.326 2.907 20 0 BFADHM CCCCSCCC(=O)[N-]OC1CCCC1 ZINC000775275292 585674645 /nfs/dbraw/zinc/67/46/45/585674645.db2.gz JCFYWSPDHCQTAS-UHFFFAOYSA-N -1 3 245.388 2.900 20 0 BFADHM O=C(OC/C=C/Cl)c1cccc(Cl)c1[O-] ZINC000775935475 585687885 /nfs/dbraw/zinc/68/78/85/585687885.db2.gz YUDZJBIZVYHBGU-GORDUTHDSA-N -1 3 247.077 2.955 20 0 BFADHM CC(C)COC(=O)c1cccc(Cl)c1[O-] ZINC000775931865 585688044 /nfs/dbraw/zinc/68/80/44/585688044.db2.gz YUGMJAUZFPYILZ-UHFFFAOYSA-N -1 3 228.675 2.858 20 0 BFADHM Cc1cc(C(=O)OC2CCCC2)ccc1[O-] ZINC000778853401 585741609 /nfs/dbraw/zinc/74/16/09/585741609.db2.gz SMIUUURIALKHCP-UHFFFAOYSA-N -1 3 220.268 2.800 20 0 BFADHM CC[C@@H](C)COC(=O)c1ccc([O-])c(C)c1 ZINC000778853514 585741659 /nfs/dbraw/zinc/74/16/59/585741659.db2.gz MYTUSTBMQNBHTJ-SECBINFHSA-N -1 3 222.284 2.904 20 0 BFADHM Cc1cc(C(=O)NOC2CCCCC2)ccc1[O-] ZINC000779320642 585751028 /nfs/dbraw/zinc/75/10/28/585751028.db2.gz PQNZFILHMMMZGW-UHFFFAOYSA-N -1 3 249.310 2.695 20 0 BFADHM CSCCCCC(=O)[N-]OC1CCCCC1 ZINC000779323418 585751291 /nfs/dbraw/zinc/75/12/91/585751291.db2.gz NYHUMFNGXPZCCU-UHFFFAOYSA-N -1 3 245.388 2.900 20 0 BFADHM O=c1ccnc(C=Cc2ccc3cnccc3c2)[n-]1 ZINC000782343085 585815723 /nfs/dbraw/zinc/81/57/23/585815723.db2.gz UPGCJTBNSDHVOZ-RQOWECAXSA-N -1 3 249.273 2.901 20 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ZINC000790840818 585970334 /nfs/dbraw/zinc/97/03/34/585970334.db2.gz YOLWPPHLQXWMDZ-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CSCCO[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000794180482 586034294 /nfs/dbraw/zinc/03/42/94/586034294.db2.gz JZTSRRYJYOYOQL-JTQLQIEISA-N -1 3 247.404 2.860 20 0 BFADHM CCC1(C(=O)[N-]OCCSC)CCCCC1 ZINC000794192777 586034760 /nfs/dbraw/zinc/03/47/60/586034760.db2.gz CYZWHJDNGYGUKS-UHFFFAOYSA-N -1 3 245.388 2.758 20 0 BFADHM CCC[C@](C)(CC)C(=O)[N-]OCCSC ZINC000794194930 586035007 /nfs/dbraw/zinc/03/50/07/586035007.db2.gz JGEJQEOHLGIJNS-NSHDSACASA-N -1 3 233.377 2.614 20 0 BFADHM CC(C)CO[N-]C(=O)CC1CC(C)(C)C1 ZINC000794401527 586039117 /nfs/dbraw/zinc/03/91/17/586039117.db2.gz UBWPTPXTKVOYQG-UHFFFAOYSA-N -1 3 213.321 2.517 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CC[C@H](C)C1 ZINC000794841483 586050315 /nfs/dbraw/zinc/05/03/15/586050315.db2.gz FGNDMZPZQBSAKA-SRVKXCTJSA-N -1 3 227.348 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000794841484 586050544 /nfs/dbraw/zinc/05/05/44/586050544.db2.gz FGNDMZPZQBSAKA-TUAOUCFPSA-N -1 3 227.348 2.907 20 0 BFADHM CCC[C@H](C)C(=O)[N-]OC[C@@H](C)CC ZINC000794852963 586050590 /nfs/dbraw/zinc/05/05/90/586050590.db2.gz PNVXXXLKTUGFQS-UWVGGRQHSA-N -1 3 201.310 2.517 20 0 BFADHM CCC[C@H](C)C(=O)[N-]OC[C@H](C)CC ZINC000794852967 586050712 /nfs/dbraw/zinc/05/07/12/586050712.db2.gz PNVXXXLKTUGFQS-ZJUUUORDSA-N -1 3 201.310 2.517 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC1CCCC1 ZINC000794849287 586050846 /nfs/dbraw/zinc/05/08/46/586050846.db2.gz FSVYZVKTNNROIJ-JTQLQIEISA-N -1 3 213.321 2.661 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc(C)c1 ZINC000794853194 586051322 /nfs/dbraw/zinc/05/13/22/586051322.db2.gz MLWVWMADVPIBJV-LLVKDONJSA-N -1 3 235.327 2.631 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CCCOC(C)(C)C ZINC000794854672 586051413 /nfs/dbraw/zinc/05/14/13/586051413.db2.gz VVNBCIHMOIEXBR-NSHDSACASA-N -1 3 245.363 2.676 20 0 BFADHM CCC[C@@H](C)CC(=O)[N-]OC[C@@H](C)CC ZINC000794876209 586053171 /nfs/dbraw/zinc/05/31/71/586053171.db2.gz UCUAAALGLXUQKJ-WDEREUQCSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)C ZINC000794875485 586053178 /nfs/dbraw/zinc/05/31/78/586053178.db2.gz MTZAJVJECGAPQS-VIFPVBQESA-N -1 3 201.310 2.517 20 0 BFADHM C[C@@H]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)[C@H]1C ZINC000796453746 586103753 /nfs/dbraw/zinc/10/37/53/586103753.db2.gz HIAIVEQQCDFDRO-VGMNWLOBSA-N -1 3 237.265 2.737 20 0 BFADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OC1CCCC1 ZINC000797971164 586135055 /nfs/dbraw/zinc/13/50/55/586135055.db2.gz IOPBHAVSJNFGOE-VIFPVBQESA-N -1 3 247.285 2.802 20 0 BFADHM CC(C)(C)OCCCC(=O)[N-]OC1CCCC1 ZINC000803030104 586331789 /nfs/dbraw/zinc/33/17/89/586331789.db2.gz JHYMBGATTVBSBR-UHFFFAOYSA-N -1 3 243.347 2.572 20 0 BFADHM Cc1cc(C(=O)OC[C@H]2C[C@@H]2C)ccc1[O-] ZINC000859625936 589050310 /nfs/dbraw/zinc/05/03/10/589050310.db2.gz DJYSYIKSQFSJTF-GZMMTYOYSA-N -1 3 220.268 2.513 20 0 BFADHM CC(F)(F)C(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000808461272 586473314 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CC[C@H](C)C[C@H](CC)Oc1cc(=O)[n-]cn1 ZINC001226944983 975170372 /nfs/dbraw/zinc/17/03/72/975170372.db2.gz MIMLMPDZJFNKQS-UWVGGRQHSA-N -1 3 224.304 2.776 20 0 BFADHM CCCCC[C@H](C)Oc1cc(=O)[n-]cn1 ZINC001226945434 975173903 /nfs/dbraw/zinc/17/39/03/975173903.db2.gz UQLONIGSCCZIRC-VIFPVBQESA-N -1 3 210.277 2.530 20 0 BFADHM CC[C@@H]1CCCC[C@H]1Oc1ccc(=O)[n-]n1 ZINC001227094781 975268643 /nfs/dbraw/zinc/26/86/43/975268643.db2.gz KTNNHNKIKTUPMS-NXEZZACHSA-N -1 3 222.288 2.530 20 0 BFADHM CCC[C@H](C)[C@H](CC)Oc1ccc(=O)[n-]n1 ZINC001227093876 975271194 /nfs/dbraw/zinc/27/11/94/975271194.db2.gz VTUQLBBTWCGSMS-UWVGGRQHSA-N -1 3 224.304 2.776 20 0 BFADHM CC[C@H](C)N(C)Cc1ccc(F)c([O-])c1F ZINC001232934746 978340695 /nfs/dbraw/zinc/34/06/95/978340695.db2.gz VNFOKNPBDGCSSZ-QMMMGPOBSA-N -1 3 229.270 2.901 20 0 BFADHM CC[C@@H]1CCCN1Cc1cc(Cl)ncc1[O-] ZINC001233034366 978420530 /nfs/dbraw/zinc/42/05/30/978420530.db2.gz KKKHTHSRDPWJAB-SNVBAGLBSA-N -1 3 240.734 2.815 20 0 BFADHM Nc1ccccc1Nc1ncc(Cl)cc1[O-] 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OCNKJUNKQUABKB-UHFFFAOYSA-N -1 3 233.271 2.829 20 0 BFADHM [O-]c1c(Cl)cccc1NC1=CCCOC1 ZINC001216510261 971113369 /nfs/dbraw/zinc/11/33/69/971113369.db2.gz LEQWFOWGNMWGGG-UHFFFAOYSA-N -1 3 225.675 2.762 20 0 BFADHM CC(C)(C)O[N-]C(=O)CC(C)(C)C1CC1 ZINC000405850791 971314440 /nfs/dbraw/zinc/31/44/40/971314440.db2.gz MDZSFNBNBGMEGG-UHFFFAOYSA-N -1 3 213.321 2.659 20 0 BFADHM Cc1cc(-c2cnc3[nH]cnc3c2)cc([O-])c1F ZINC001244518288 971320710 /nfs/dbraw/zinc/32/07/10/971320710.db2.gz SLYSSFHFCHMAER-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM Cc1cc(-c2ccn3cnnc3c2)cc([O-])c1F ZINC001244517141 971321271 /nfs/dbraw/zinc/32/12/71/971321271.db2.gz JBHXYKPWXMDWMI-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM CC1(CC(=O)[N-]OC2CCC2)CCCC1 ZINC000812787844 971534181 /nfs/dbraw/zinc/53/41/81/971534181.db2.gz APAKJTGJKDVHEW-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM Cc1nccc(-c2ccc([O-])cc2Cl)n1 ZINC001245081270 971623452 /nfs/dbraw/zinc/62/34/52/971623452.db2.gz CYDSNEHVCHTFMV-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM [O-]c1ccc(-c2cnc(F)cn2)c(Cl)c1 ZINC001245082079 971629178 /nfs/dbraw/zinc/62/91/78/971629178.db2.gz PLNYZQQIWJSOPY-UHFFFAOYSA-N -1 3 224.622 2.642 20 0 BFADHM Cc1ccc(CCCC(=O)[N-]OC(C)C)s1 ZINC001330660120 974389636 /nfs/dbraw/zinc/38/96/36/974389636.db2.gz VAGKGZNDAPTHTR-UHFFFAOYSA-N -1 3 241.356 2.835 20 0 BFADHM CC1=CCCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000382535888 971820047 /nfs/dbraw/zinc/82/00/47/971820047.db2.gz OQNQGCQODYISJO-JTQLQIEISA-N -1 3 235.283 2.691 20 0 BFADHM O=C([N-]c1ccccc1F)c1cc(Cl)no1 ZINC001135395449 971882676 /nfs/dbraw/zinc/88/26/76/971882676.db2.gz ALOFLNCZKFCVPZ-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CCc1ncc(-c2c([O-])cccc2F)cn1 ZINC001245654946 971949277 /nfs/dbraw/zinc/94/92/77/971949277.db2.gz HICJSYNPVUAGJD-UHFFFAOYSA-N -1 3 218.231 2.551 20 0 BFADHM CCc1ccc(C(=O)N[C@@H](CC)C2CC2)c([O-])c1 ZINC001167047483 956884802 /nfs/dbraw/zinc/88/48/02/956884802.db2.gz BFCGWXUYSHXUCL-ZDUSSCGKSA-N -1 3 247.338 2.873 20 0 BFADHM 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2.910 20 0 BFADHM COc1ncc(-c2cccc(F)c2[O-])cc1F ZINC001242351724 983624665 /nfs/dbraw/zinc/62/46/65/983624665.db2.gz PZPFCZMDEMNQAM-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Nc1ccc(-c2cccc(F)c2[O-])c(F)c1 ZINC001242352129 983629174 /nfs/dbraw/zinc/62/91/74/983629174.db2.gz NPSNVDDXWVPDNE-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM [O-]c1c(F)cccc1-c1cnc2ocnc2c1 ZINC001242351857 983630439 /nfs/dbraw/zinc/63/04/39/983630439.db2.gz XVJJJSWSTPDYPN-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM Nc1ccc(-c2cccc(F)c2[O-])cc1 ZINC001242352337 983630918 /nfs/dbraw/zinc/63/09/18/983630918.db2.gz SOIXWQSJJAPYFX-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM CC(C)n1cc(-c2cccc(F)c2[O-])ccc1=O ZINC001242352573 983631138 /nfs/dbraw/zinc/63/11/38/983631138.db2.gz ZFRFSIBRPNSICB-UHFFFAOYSA-N -1 3 247.269 2.941 20 0 BFADHM Nc1ccccc1-c1cccc(F)c1[O-] ZINC001242352237 983631298 /nfs/dbraw/zinc/63/12/98/983631298.db2.gz CNPRMUYDYZKNAW-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM [O-]c1c(F)cccc1-c1cccn2cncc12 ZINC001242353225 983632168 /nfs/dbraw/zinc/63/21/68/983632168.db2.gz XBICBYBFXAASCJ-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM O=c1cccc(Nc2cc([O-])c(F)cc2F)[nH]1 ZINC001212790470 984031934 /nfs/dbraw/zinc/03/19/34/984031934.db2.gz LQALTIQSCJDGOA-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM CCCNC(=O)Nc1c([O-])cccc1Cl ZINC001202594858 984118806 /nfs/dbraw/zinc/11/88/06/984118806.db2.gz WHZNRCRRBOHEBP-UHFFFAOYSA-N -1 3 228.679 2.577 20 0 BFADHM [S-]c1cccc(-c2ccc3c(n2)CNCC3)c1 ZINC001242865195 984208775 /nfs/dbraw/zinc/20/87/75/984208775.db2.gz XUPWIVLKNHGALY-UHFFFAOYSA-N -1 3 242.347 2.683 20 0 BFADHM O=C([N-]c1cscc1Cl)c1cnsn1 ZINC001438993364 984379342 /nfs/dbraw/zinc/37/93/42/984379342.db2.gz BXEWREBCENTEAQ-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM COCOc1cncc(-c2ccc(F)c([O-])c2)c1 ZINC001243046486 984389611 /nfs/dbraw/zinc/38/96/11/984389611.db2.gz JROMUQBIHWPTSV-UHFFFAOYSA-N -1 3 249.241 2.576 20 0 BFADHM CC(C)Oc1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243047750 984390509 /nfs/dbraw/zinc/39/05/09/984390509.db2.gz FSXMDHKZTNNSBW-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM COCc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243048233 984393565 /nfs/dbraw/zinc/39/35/65/984393565.db2.gz LOJWBZLYEDIBQX-UHFFFAOYSA-N -1 3 233.242 2.740 20 0 BFADHM [O-]c1cc(-c2cc3c(nn2)CCCC3)ccc1F ZINC001243048055 984395834 /nfs/dbraw/zinc/39/58/34/984395834.db2.gz DQTFSLYGLYVRMQ-UHFFFAOYSA-N -1 3 244.269 2.867 20 0 BFADHM COc1cc(C)c(-c2ccc(F)c([O-])c2)cn1 ZINC001243048828 984397822 /nfs/dbraw/zinc/39/78/22/984397822.db2.gz JMDKBJGBDMQWQO-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1cc(-c2ccnc(F)c2)ccc1F ZINC001243050245 984399715 /nfs/dbraw/zinc/39/97/15/984399715.db2.gz UMLKVJDTOGNPTN-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1ncc(C)cc1-c1ccc(F)c([O-])c1 ZINC001243052496 984409012 /nfs/dbraw/zinc/40/90/12/984409012.db2.gz XVDKIUFYLMJOKK-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1nc(C)c(C)c(-c2ccc(F)c([O-])c2)n1 ZINC001243051635 984414769 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QGZMUNXHLPTDDF-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM CNc1cc(-c2cccc([O-])c2F)ccn1 ZINC001243545906 985087865 /nfs/dbraw/zinc/08/78/65/985087865.db2.gz QRVWHEAFJNHEDX-UHFFFAOYSA-N -1 3 218.231 2.635 20 0 BFADHM COc1ccc(F)nc1-c1cccc([O-])c1F ZINC001243546532 985088495 /nfs/dbraw/zinc/08/84/95/985088495.db2.gz OILGCVZWIRPBQQ-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1cccc(-c2cccn3ccnc23)c1F ZINC001243546057 985089112 /nfs/dbraw/zinc/08/91/12/985089112.db2.gz GGVSIHPAVDNMIL-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM Cc1nc2cc(-c3cccc([O-])c3F)ccn2n1 ZINC001243546777 985089509 /nfs/dbraw/zinc/08/95/09/985089509.db2.gz FWBGKRDSVNFSES-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM CC(C)Oc1nccnc1-c1cccc([O-])c1F ZINC001243546095 985090128 /nfs/dbraw/zinc/09/01/28/985090128.db2.gz ILRMPFPHMKZPNY-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM COc1ncc(F)cc1-c1cccc([O-])c1F ZINC001243547803 985095744 /nfs/dbraw/zinc/09/57/44/985095744.db2.gz WREHRGRZERGSEL-UHFFFAOYSA-N -1 3 237.205 2.741 20 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BFADHM Cc1nc2cc(-c3ccc(=S)[n-]n3)ccc2[nH]1 ZINC001243971288 985694563 /nfs/dbraw/zinc/69/45/63/985694563.db2.gz JAHLALSSMNPFHX-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM CCn1ccc(-c2c([O-])cccc2Cl)cc1=O ZINC001244046832 985778886 /nfs/dbraw/zinc/77/88/86/985778886.db2.gz CKPCQYPVUKYOEZ-UHFFFAOYSA-N -1 3 249.697 2.894 20 0 BFADHM [O-]c1cccc(Cl)c1-c1cccc2ncnn21 ZINC001244051239 985784619 /nfs/dbraw/zinc/78/46/19/985784619.db2.gz RDLUYGFZIIIUKR-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Nc1ccc(-c2ccc(Cl)cc2[O-])cn1 ZINC001244469276 986143125 /nfs/dbraw/zinc/14/31/25/986143125.db2.gz FMKDUTAZFRWQJE-UHFFFAOYSA-N -1 3 220.659 2.690 20 0 BFADHM [O-]c1cc(Cl)ccc1-c1cccc2nncn21 ZINC001244470316 986144881 /nfs/dbraw/zinc/14/48/81/986144881.db2.gz YZJOOHJMXIXOCD-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(-c2cnc3cc[nH]c3n2)cc([O-])c1F ZINC001244496582 986202396 /nfs/dbraw/zinc/20/23/96/986202396.db2.gz UMSNTHXWXGHMPN-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM COc1ncnc(-c2cc(C)c(F)c([O-])c2)c1C ZINC001244507017 986204350 /nfs/dbraw/zinc/20/43/50/986204350.db2.gz RWNBFYQVYOTDSI-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM Cc1ccc(-c2cc(C)c(F)c([O-])c2)nc1N ZINC001244507383 986205392 /nfs/dbraw/zinc/20/53/92/986205392.db2.gz NBIZRAYJUWHQEL-UHFFFAOYSA-N -1 3 232.258 2.792 20 0 BFADHM Cc1cc(-c2ncc(N)cc2F)cc([O-])c1F ZINC001244506290 986207104 /nfs/dbraw/zinc/20/71/04/986207104.db2.gz FMTJYQYUKZXEMV-UHFFFAOYSA-N -1 3 236.221 2.623 20 0 BFADHM Cc1cc(-c2ccc(N(C)C)cn2)cc([O-])c1F ZINC001244507946 986214299 /nfs/dbraw/zinc/21/42/99/986214299.db2.gz RFIAHEWDOHBAKQ-UHFFFAOYSA-N -1 3 246.285 2.968 20 0 BFADHM CCc1nccc(-c2cc(C)c(F)c([O-])c2)n1 ZINC001244509013 986220187 /nfs/dbraw/zinc/22/01/87/986220187.db2.gz ZTOPHQHHCYAGAL-UHFFFAOYSA-N -1 3 232.258 2.859 20 0 BFADHM Cc1cc(-c2ccc(N)nc2C)cc([O-])c1F ZINC001244525219 986227507 /nfs/dbraw/zinc/22/75/07/986227507.db2.gz MNPZGBJKYZELAC-UHFFFAOYSA-N -1 3 232.258 2.792 20 0 BFADHM 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/nfs/dbraw/zinc/03/28/48/987032848.db2.gz RTGRWNAIGDWXGX-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM Cc1ncc(-c2c([O-])cccc2F)c(C)n1 ZINC001245657021 987038573 /nfs/dbraw/zinc/03/85/73/987038573.db2.gz ZGDBCPSGPWGREN-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM C=C/C=C/CCNC(=O)c1ccc(CC)cc1[O-] ZINC001471635371 987097455 /nfs/dbraw/zinc/09/74/55/987097455.db2.gz ZUCIIORIWNKMQQ-AATRIKPKSA-N -1 3 245.322 2.817 20 0 BFADHM O=c1ccnc(C=Cc2ccc3c(c2)CCC3)[n-]1 ZINC001116285828 987508509 /nfs/dbraw/zinc/50/85/09/987508509.db2.gz JMDKGJIPERGECH-FNORWQNLSA-N -1 3 238.290 2.841 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC(C1CC1)C1CC1 ZINC001117763440 987897353 /nfs/dbraw/zinc/89/73/53/987897353.db2.gz JTYMMZCPWQFFQH-JTQLQIEISA-N -1 3 239.359 2.907 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC001117769797 987900862 /nfs/dbraw/zinc/90/08/62/987900862.db2.gz GHSVLTCMTCMVFJ-GFCCVEGCSA-N -1 3 233.311 2.563 20 0 BFADHM O=C(OCCF)c1cc2sccc2c([O-])c1 ZINC001321961167 988063592 /nfs/dbraw/zinc/06/35/92/988063592.db2.gz GFRNETGZNZKTHN-UHFFFAOYSA-N -1 3 240.255 2.733 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC001324495224 988858298 /nfs/dbraw/zinc/85/82/98/988858298.db2.gz SBQMKOCOGBKHGJ-WDEREUQCSA-N -1 3 213.321 2.659 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC001324495220 988859016 /nfs/dbraw/zinc/85/90/16/988859016.db2.gz SBQMKOCOGBKHGJ-MNOVXSKESA-N -1 3 213.321 2.659 20 0 BFADHM c1c2ccc[nH]c-2nc1[N-]c1nonc1C1CC1 ZINC001248707262 989134115 /nfs/dbraw/zinc/13/41/15/989134115.db2.gz VEPDFKKFEIXKNP-UHFFFAOYSA-N -1 3 241.254 2.567 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC001325262435 989134583 /nfs/dbraw/zinc/13/45/83/989134583.db2.gz YFGSIGXRPHMHST-QWRGUYRKSA-N -1 3 213.321 2.659 20 0 BFADHM Cc1coc([N-]c2ccncc2C(F)(F)F)n1 ZINC001249584221 989316226 /nfs/dbraw/zinc/31/62/26/989316226.db2.gz RNDHRJKWNXGNKD-UHFFFAOYSA-N -1 3 243.188 2.562 20 0 BFADHM CC(C)c1oncc1[N-]C(=O)c1cccnc1F ZINC001120772189 989872087 /nfs/dbraw/zinc/87/20/87/989872087.db2.gz IEQZHAAPDKCJOR-UHFFFAOYSA-N -1 3 249.245 2.584 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@H]2CCCC[C@H]21 ZINC001604461225 990055264 /nfs/dbraw/zinc/05/52/64/990055264.db2.gz IPOLQIKPGMORPD-HBNTYKKESA-N -1 3 249.310 2.913 20 0 BFADHM O=C([N-]c1ccsn1)c1scnc1Cl ZINC001536148009 990479664 /nfs/dbraw/zinc/47/96/64/990479664.db2.gz YRKDLKJKTVXGLL-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM Cc1nocc1[N-]C(=O)c1cc2ccccc2o1 ZINC001537837355 990518087 /nfs/dbraw/zinc/51/80/87/990518087.db2.gz WFRRHYRECJQWJO-UHFFFAOYSA-N -1 3 242.234 2.982 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1cc[nH]c1 ZINC001556783898 990853986 /nfs/dbraw/zinc/85/39/86/990853986.db2.gz DQFWBSYGQNVRQQ-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM O=C([N-]c1cscc1Cl)c1csnn1 ZINC001558190691 990928479 /nfs/dbraw/zinc/92/84/79/990928479.db2.gz KIPVGMBIFVFRGQ-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM CN(Cc1ccc(F)cc1)Cc1ccncc1[O-] ZINC001140274712 991580547 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/nfs/dbraw/zinc/23/30/24/998233024.db2.gz WOWZMPOAJVPMPW-LLVKDONJSA-N -1 3 249.310 2.999 20 0 BFADHM C[C@@H]1C[C@@H](C)N1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001594233717 998891205 /nfs/dbraw/zinc/89/12/05/998891205.db2.gz ZKRGDZXOHQMAKL-RKDXNWHRSA-N -1 3 248.326 2.573 20 0 BFADHM O=C([O-])c1coc(CNCC2CCCCC2)c1 ZINC000228158680 398138408 /nfs/dbraw/zinc/13/84/08/398138408.db2.gz HPFFSFYZGDFOHF-UHFFFAOYSA-N -1 3 237.299 2.648 20 0 BFADHM CCN(Cc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000062751279 349491971 /nfs/dbraw/zinc/49/19/71/349491971.db2.gz BSRDGHVEZDPVHX-UHFFFAOYSA-N -1 3 239.290 2.754 20 0 BFADHM CC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751562 349492323 /nfs/dbraw/zinc/49/23/23/349492323.db2.gz YYAWLUVSAGDVPT-SECBINFHSA-N -1 3 239.290 2.754 20 0 BFADHM CCc1cc(=O)[n-]c(CSCC=C(C)C)n1 ZINC000341954391 398186546 /nfs/dbraw/zinc/18/65/46/398186546.db2.gz XFLQZHGSBVACGH-UHFFFAOYSA-N -1 3 238.356 2.944 20 0 BFADHM Cc1oc(CN(C)[C@@H]2C=CCCC2)cc1C(=O)[O-] ZINC000576233907 365533032 /nfs/dbraw/zinc/53/30/32/365533032.db2.gz NTFZXEANNGMRKP-LLVKDONJSA-N -1 3 249.310 2.827 20 0 BFADHM O=C(CCc1ccoc1)Nc1ccccc1[O-] ZINC000175521969 365559868 /nfs/dbraw/zinc/55/98/68/365559868.db2.gz FFTQLYJZVNZTHR-UHFFFAOYSA-N -1 3 231.251 2.557 20 0 BFADHM O=C(CCc1ccoc1)Nc1cc(F)ccc1[O-] ZINC000175554759 365561545 /nfs/dbraw/zinc/56/15/45/365561545.db2.gz LRJVWZBYWKFXBT-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM O=c1[nH]c([C@H]2CCCS2)nc2ccc([O-])cc12 ZINC000272237773 538925724 /nfs/dbraw/zinc/92/57/24/538925724.db2.gz SJEUMKHNTONPCJ-SNVBAGLBSA-N -1 3 248.307 2.609 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC(C)(C)C2)c1 ZINC000075236491 398218366 /nfs/dbraw/zinc/21/83/66/398218366.db2.gz GRURQVQJCLFRQV-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cc([N-]C(=O)c2oc(C(C)C)nc2C)no1 ZINC000292746494 178152526 /nfs/dbraw/zinc/15/25/26/178152526.db2.gz NHJDAOKMMLPPGE-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H]2CCCC2(C)C)n1 ZINC000192802995 178202226 /nfs/dbraw/zinc/20/22/26/178202226.db2.gz GWGYJHOQFGLMQW-WDEREUQCSA-N -1 3 249.358 2.720 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccccn2)n1 ZINC000268339838 178202504 /nfs/dbraw/zinc/20/25/04/178202504.db2.gz OKDPJVJRJHCOBS-VIFPVBQESA-N -1 3 247.323 2.739 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)SCC(C)C)n1 ZINC000136272043 178202773 /nfs/dbraw/zinc/20/27/73/178202773.db2.gz HRDLWINIAYUKMQ-SECBINFHSA-N -1 3 226.345 2.941 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)SCC(C)C)n1 ZINC000136272086 178203993 /nfs/dbraw/zinc/20/39/93/178203993.db2.gz HRDLWINIAYUKMQ-VIFPVBQESA-N -1 3 226.345 2.941 20 0 BFADHM O=c1[nH]c(C2CCCCC2)nc2ccc([O-])cc12 ZINC000164975702 538934460 /nfs/dbraw/zinc/93/44/60/538934460.db2.gz SQKNXGCSCQNLIP-UHFFFAOYSA-N -1 3 244.294 2.676 20 0 BFADHM O=C(NC1CCC1)c1cc([O-])c2ccccc2c1 ZINC000280758488 538937994 /nfs/dbraw/zinc/93/79/94/538937994.db2.gz COEPVSHTOJDCQE-UHFFFAOYSA-N -1 3 241.290 2.828 20 0 BFADHM Cc1ccc(-c2nc(C3CC3)no2)c([O-])c1C ZINC000273487309 178333173 /nfs/dbraw/zinc/33/31/73/178333173.db2.gz VDCZDNMQRFKCFP-UHFFFAOYSA-N -1 3 230.267 2.936 20 0 BFADHM Cc1ccc(C(=O)N2CCC3(CC3)CC2)c([O-])c1 ZINC000370884515 178385807 /nfs/dbraw/zinc/38/58/07/178385807.db2.gz AOEKQZGXWYDQLA-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1C ZINC000267908362 178396158 /nfs/dbraw/zinc/39/61/58/178396158.db2.gz XJKRDROITYUYRU-PWSUYJOCSA-N -1 3 247.338 2.880 20 0 BFADHM C[C@@H](N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC000261569383 398285196 /nfs/dbraw/zinc/28/51/96/398285196.db2.gz GGBHJTDRUDSSAM-RNFRBKRXSA-N -1 3 245.681 2.603 20 0 BFADHM Cc1cccc(CN(C)Cc2ncccc2[O-])c1 ZINC000520891984 342794513 /nfs/dbraw/zinc/79/45/13/342794513.db2.gz WNNQFIHLXSGMGH-UHFFFAOYSA-N -1 3 242.322 2.728 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C)CC1 ZINC000624775489 342829180 /nfs/dbraw/zinc/82/91/80/342829180.db2.gz XOFDUCMEFVUTGI-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM CCN(CCOC)Cc1cc([O-])ccc1Cl ZINC000625101042 342856288 /nfs/dbraw/zinc/85/62/88/342856288.db2.gz OEYAVYRYNOJPRF-UHFFFAOYSA-N -1 3 243.734 2.514 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1c(C)cccc1[O-] ZINC000628036596 342889014 /nfs/dbraw/zinc/88/90/14/342889014.db2.gz DWYBGZFLIBLRHX-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM Cc1ccc(Cn2[n-]c3c(c2=O)[C@@H](C)CC3)cc1 ZINC000634589009 342935119 /nfs/dbraw/zinc/93/51/19/342935119.db2.gz LNKYDDZOTTVLJU-FZMZJTMJSA-N -1 3 242.322 2.739 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000379024560 346889355 /nfs/dbraw/zinc/88/93/55/346889355.db2.gz UMVRLOKFTATVOC-ZXIUILOBSA-N -1 3 249.310 2.872 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000379024559 346889688 /nfs/dbraw/zinc/88/96/88/346889688.db2.gz UMVRLOKFTATVOC-VYELJELPSA-N -1 3 249.310 2.872 20 0 BFADHM Cc1[n-]n(Cc2cccc(F)c2)c(=O)c1C1CC1 ZINC000634589936 342937204 /nfs/dbraw/zinc/93/72/04/342937204.db2.gz MIZQLMACHUFLLC-CYBMUJFWSA-N -1 3 246.285 2.570 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2CCC[C@H]2C)ccc1[O-] ZINC000486351057 529519029 /nfs/dbraw/zinc/51/90/29/529519029.db2.gz GPTMRRURFAWNCE-ZWNOBZJWSA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cc(C(=O)N[C@H]2C=CCCC2)ccc1[O-] ZINC000486646670 529519805 /nfs/dbraw/zinc/51/98/05/529519805.db2.gz SPFADOMIHUUYLU-ZDUSSCGKSA-N -1 3 245.322 2.793 20 0 BFADHM CCCCN(CC)C(=O)c1cccc([O-])c1 ZINC000019838882 342959590 /nfs/dbraw/zinc/95/95/90/342959590.db2.gz WUOYSVAPUFLGOU-UHFFFAOYSA-N -1 3 221.300 2.654 20 0 BFADHM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634600031 342991371 /nfs/dbraw/zinc/99/13/71/342991371.db2.gz VMNGZNGWVOFLLC-SUNKGSAMSA-N -1 3 242.322 2.992 20 0 BFADHM C[C@H](c1ccccc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634600030 342991447 /nfs/dbraw/zinc/99/14/47/342991447.db2.gz VMNGZNGWVOFLLC-JTNHKYCSSA-N -1 3 242.322 2.992 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042435330 342996651 /nfs/dbraw/zinc/99/66/51/342996651.db2.gz YIYYNRKRDPDWIQ-UWVGGRQHSA-N -1 3 221.300 2.557 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042435342 342996800 /nfs/dbraw/zinc/99/68/00/342996800.db2.gz ILQZPMMWIFCCPR-ONGXEEELSA-N -1 3 235.327 2.865 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCCCCC3)c(=O)c21 ZINC000634603294 342998128 /nfs/dbraw/zinc/99/81/28/342998128.db2.gz VNEOQRILXJSWIS-ZWNOBZJWSA-N -1 3 234.343 2.954 20 0 BFADHM Cc1cccc(Cn2[n-]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634604514 342998471 /nfs/dbraw/zinc/99/84/71/342998471.db2.gz IVDVUYNLVWJXQT-BXUZGUMPSA-N -1 3 242.322 2.739 20 0 BFADHM C[C@H](CC(F)F)C(=O)Nc1cccc([O-])c1F ZINC000562729358 323028920 /nfs/dbraw/zinc/02/89/20/323028920.db2.gz HDKPTVNGHHPDOJ-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c21 ZINC000634607995 343003708 /nfs/dbraw/zinc/00/37/08/343003708.db2.gz NUDQVEHTDAWFSE-RNCFNFMXSA-N -1 3 246.285 2.570 20 0 BFADHM CCc1ccc(/C=C\C(=O)[N-]OC2CCCC2)o1 ZINC000492567396 529587379 /nfs/dbraw/zinc/58/73/79/529587379.db2.gz PLXISROSZRCLNT-KTKRTIGZSA-N -1 3 249.310 2.846 20 0 BFADHM CCc1ccc(/C=C\C(=O)[N-]OCC(C)C)o1 ZINC000492613420 529587389 /nfs/dbraw/zinc/58/73/89/529587389.db2.gz NEPGXPUWHFGQMA-FPLPWBNLSA-N -1 3 237.299 2.559 20 0 BFADHM CCC(CC)Cn1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634622025 343020904 /nfs/dbraw/zinc/02/09/04/343020904.db2.gz VRTGUPRPMSHMJN-BXKDBHETSA-N -1 3 222.332 2.667 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000176253563 365698762 /nfs/dbraw/zinc/69/87/62/365698762.db2.gz XDPOLCWIKYCHDI-UWVGGRQHSA-N -1 3 235.258 2.516 20 0 BFADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000187737353 259345792 /nfs/dbraw/zinc/34/57/92/259345792.db2.gz FANVQHPVIBZFDW-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCCCCO2)c1 ZINC000473064071 529690930 /nfs/dbraw/zinc/69/09/30/529690930.db2.gz YALYESXULHFYJH-UHFFFAOYSA-N -1 3 249.310 2.512 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccoc1C(=O)[O-] ZINC000050565482 343163148 /nfs/dbraw/zinc/16/31/48/343163148.db2.gz YKBYOKDGEKMKDI-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)[O-])s1 ZINC000237470583 136272284 /nfs/dbraw/zinc/27/22/84/136272284.db2.gz KINIHLDWKNIBDK-VHSXEESVSA-N -1 3 239.340 2.667 20 0 BFADHM CN(c1ccncc1C(=O)[O-])C1CCCCC1 ZINC000125889609 343167893 /nfs/dbraw/zinc/16/78/93/343167893.db2.gz BPQMTXUPKUYTHF-UHFFFAOYSA-N -1 3 234.299 2.549 20 0 BFADHM C[C@H](CNc1ccnc2ccccc21)CC(=O)[O-] ZINC000147434378 343197852 /nfs/dbraw/zinc/19/78/52/343197852.db2.gz VGKGOQCULHHJLU-JTQLQIEISA-N -1 3 244.294 2.758 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CCC(F)(F)C2)c1 ZINC000625304142 343229226 /nfs/dbraw/zinc/22/92/26/343229226.db2.gz YNQQDNMVFYIENJ-UHFFFAOYSA-N -1 3 247.672 2.887 20 0 BFADHM CC[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000051330419 343256150 /nfs/dbraw/zinc/25/61/50/343256150.db2.gz XXWDDECFOMBVOP-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM CCN(C(=O)c1cccc(C)c1[O-])C(C)C ZINC000037082600 343333146 /nfs/dbraw/zinc/33/31/46/343333146.db2.gz CERCZHSJXVTXGK-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM CC(C)C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000037265448 343342314 /nfs/dbraw/zinc/34/23/14/343342314.db2.gz VFQSSOHCMBBEOH-SNVBAGLBSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H]2C)c1[O-] ZINC000134989774 343352368 /nfs/dbraw/zinc/35/23/68/343352368.db2.gz XVDBILXXJMNWIW-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000039793147 343392670 /nfs/dbraw/zinc/39/26/70/343392670.db2.gz KUMHYWFTRICQGB-UHFFFAOYSA-N -1 3 222.288 2.704 20 0 BFADHM C/C=C(/C)c1nc(-c2ccc([O-])cc2)no1 ZINC000335698637 136327882 /nfs/dbraw/zinc/32/78/82/136327882.db2.gz BVDRTUFBQAWFER-BAQGIRSFSA-N -1 3 216.240 2.865 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@H]1CC1(C)C ZINC000568065775 343510915 /nfs/dbraw/zinc/51/09/15/343510915.db2.gz GECUOQKUUUIKJU-NSHDSACASA-N -1 3 237.299 2.517 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]32)ccc1[O-] ZINC000616725411 343552961 /nfs/dbraw/zinc/55/29/61/343552961.db2.gz VEETWQSVKAWYAG-STQMWFEESA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc(C(=O)NCC2=CCCC2)c([O-])c1 ZINC000620007296 343558245 /nfs/dbraw/zinc/55/82/45/343558245.db2.gz VEEKUXUWYGUHPL-UHFFFAOYSA-N -1 3 231.295 2.541 20 0 BFADHM CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000004615143 343635060 /nfs/dbraw/zinc/63/50/60/343635060.db2.gz HDKADOCHACKYDT-UHFFFAOYSA-N -1 3 244.088 2.503 20 0 BFADHM CC(C)N(CC1CC1)C(=O)c1ccccc1[O-] ZINC000048185936 187269169 /nfs/dbraw/zinc/26/91/69/187269169.db2.gz ZFFCSLOLFBVPQW-UHFFFAOYSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC000235947145 343795297 /nfs/dbraw/zinc/79/52/97/343795297.db2.gz KYULFYBHIMLIRG-UHFFFAOYSA-N -1 3 202.282 2.741 20 0 BFADHM Fc1cccc(-c2ccc(=S)[n-]n2)c1 ZINC000236251833 343795558 /nfs/dbraw/zinc/79/55/58/343795558.db2.gz QQAZXOPHURWLSM-UHFFFAOYSA-N -1 3 206.245 2.571 20 0 BFADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCC1CC1 ZINC000293677143 187350093 /nfs/dbraw/zinc/35/00/93/187350093.db2.gz AQDYBAXQUZRPKM-XFXZXTDPSA-N -1 3 245.322 2.856 20 0 BFADHM COc1cc(C)ccc1-c1ccc(=S)[n-]n1 ZINC000409432552 343826951 /nfs/dbraw/zinc/82/69/51/343826951.db2.gz VRIRXYDREILGBT-UHFFFAOYSA-N -1 3 232.308 2.749 20 0 BFADHM COc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)c([O-])c1 ZINC000442702213 537824278 /nfs/dbraw/zinc/82/42/78/537824278.db2.gz ZFRQYEBKIGRJLA-QWRGUYRKSA-N -1 3 249.310 2.631 20 0 BFADHM C[C@H](CC(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000624489218 343907735 /nfs/dbraw/zinc/90/77/35/343907735.db2.gz ZHFZQNDSADKHNW-SSDOTTSWSA-N -1 3 247.216 2.919 20 0 BFADHM C[C@@H](CC(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000624489219 343907767 /nfs/dbraw/zinc/90/77/67/343907767.db2.gz ZHFZQNDSADKHNW-ZETCQYMHSA-N -1 3 247.216 2.919 20 0 BFADHM Cc1ccc(C(=O)NC2CC(C)(C)C2)c([O-])c1 ZINC000395443633 344321912 /nfs/dbraw/zinc/32/19/12/344321912.db2.gz SONAQEKKUSFLMM-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CC1(C)CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000094330177 344328150 /nfs/dbraw/zinc/32/81/50/344328150.db2.gz COCPAZMHHKDDOD-LBPRGKRZSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1c2ccsc2CCN1CCCC(=O)[O-] ZINC000042771617 344466247 /nfs/dbraw/zinc/46/62/47/344466247.db2.gz NOYICYCESPFUMJ-SECBINFHSA-N -1 3 239.340 2.532 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1c(C)cccc1[O-] ZINC000625958315 344597309 /nfs/dbraw/zinc/59/73/09/344597309.db2.gz XFULCDKAMICROP-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(NC(=O)[C@H](C)C(C)C)c([O-])c1 ZINC000069687917 178746966 /nfs/dbraw/zinc/74/69/66/178746966.db2.gz FJBTWBOZZWACEQ-SNVBAGLBSA-N -1 3 221.300 2.931 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000148887947 187299590 /nfs/dbraw/zinc/29/95/90/187299590.db2.gz VZZGGFVBTGATRQ-TXEJJXNPSA-N -1 3 245.322 2.573 20 0 BFADHM c1cc(-c2nnn[n-]2)ccc1OC1CCCCC1 ZINC000408501066 345387165 /nfs/dbraw/zinc/38/71/65/345387165.db2.gz PQIBCMHRRWLJNK-UHFFFAOYSA-N -1 3 244.298 2.578 20 0 BFADHM c1cc(-c2nn[n-]n2)ccc1OC1CCCCC1 ZINC000408501066 345387166 /nfs/dbraw/zinc/38/71/66/345387166.db2.gz PQIBCMHRRWLJNK-UHFFFAOYSA-N -1 3 244.298 2.578 20 0 BFADHM CCc1cccc(C(=O)N(C)CC(C)C)c1[O-] ZINC000081957888 345495630 /nfs/dbraw/zinc/49/56/30/345495630.db2.gz DJOLBGFNHVZNAS-UHFFFAOYSA-N -1 3 235.327 2.683 20 0 BFADHM CCc1cccc(C(=O)Nc2cccnc2)c1[O-] ZINC000093900686 345667196 /nfs/dbraw/zinc/66/71/96/345667196.db2.gz RDZNPDIZCKUUIW-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC2(C)C)c1 ZINC000094167437 345682197 /nfs/dbraw/zinc/68/21/97/345682197.db2.gz WVPUKMSGALFGBU-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000082879748 345789964 /nfs/dbraw/zinc/78/99/64/345789964.db2.gz QHGWZPZSMFTOBU-SVRRBLITSA-N -1 3 225.675 2.640 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000336536939 179004999 /nfs/dbraw/zinc/00/49/99/179004999.db2.gz HTPKNQJXFSVHMD-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000336536938 179005215 /nfs/dbraw/zinc/00/52/15/179005215.db2.gz HTPKNQJXFSVHMD-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H]2CC2(C)C)c1[O-] ZINC000336321334 179005298 /nfs/dbraw/zinc/00/52/98/179005298.db2.gz FITAAZXRLYFALF-NSHDSACASA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H](C)C(C)C)c1[O-] ZINC000035238895 179005580 /nfs/dbraw/zinc/00/55/80/179005580.db2.gz GFHXWTMBJHMFBX-NSHDSACASA-N -1 3 235.327 2.817 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1[O-] ZINC000050566644 179008186 /nfs/dbraw/zinc/00/81/86/179008186.db2.gz BZBYOTOCUROLIM-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)CC2(C)C)c1[O-] ZINC000266944144 179012978 /nfs/dbraw/zinc/01/29/78/179012978.db2.gz RCTNSNSMELHEER-SNVBAGLBSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ncsc1NC(=O)c1cccc(C)c1[O-] ZINC000336352310 179026305 /nfs/dbraw/zinc/02/63/05/179026305.db2.gz KKKBASOSWMGGAC-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cccc(F)c1NC([O-])=NOCC(C)C ZINC000274082323 179111099 /nfs/dbraw/zinc/11/10/99/179111099.db2.gz HGCGRKIHKVUGSZ-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM Cc1cccc(F)c1NC(=O)[N-]OCC(C)C ZINC000274082323 179111100 /nfs/dbraw/zinc/11/11/00/179111100.db2.gz HGCGRKIHKVUGSZ-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM CC(C)C(C)(C)NC(=O)c1cccc([O-])c1 ZINC000577135662 365834002 /nfs/dbraw/zinc/83/40/02/365834002.db2.gz MPWFIDRKNDFUQR-UHFFFAOYSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC1(C)C ZINC000272593369 179160848 /nfs/dbraw/zinc/16/08/48/179160848.db2.gz XNUGSYWKBZRGHR-VIFPVBQESA-N -1 3 219.284 2.685 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C=C1CCC1 ZINC000183044218 179161057 /nfs/dbraw/zinc/16/10/57/179161057.db2.gz KQIBUWFZWKSYNR-UHFFFAOYSA-N -1 3 217.268 2.749 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)C1CC1 ZINC000183034669 179161150 /nfs/dbraw/zinc/16/11/50/179161150.db2.gz HZKMOPRHKWSMEW-SECBINFHSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C/C1CC1 ZINC000272422659 179161177 /nfs/dbraw/zinc/16/11/77/179161177.db2.gz GRNYEHYWJGVGOE-BQYQJAHWSA-N -1 3 217.268 2.605 20 0 BFADHM CCCN(C)Cc1cc(C(=O)[O-])sc1C ZINC000087794341 362788501 /nfs/dbraw/zinc/78/85/01/362788501.db2.gz JDKMSXSDVQKTGI-UHFFFAOYSA-N -1 3 227.329 2.597 20 0 BFADHM O=C([N-]c1cccc(Cl)c1F)c1cocn1 ZINC000591108979 347616443 /nfs/dbraw/zinc/61/64/43/347616443.db2.gz ULVLFZCSOYHYLP-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM Cc1cccnc1C[N-]c1nc(C(C)C)no1 ZINC000265615372 179383737 /nfs/dbraw/zinc/38/37/37/179383737.db2.gz MCIGNDHLRBCPJG-UHFFFAOYSA-N -1 3 232.287 2.509 20 0 BFADHM Cc1cccc(C(=O)Nc2ncccc2C)c1[O-] ZINC000019836782 179393642 /nfs/dbraw/zinc/39/36/42/179393642.db2.gz PJPZSNHOEZCJMB-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@H]1CCCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000070410257 350001641 /nfs/dbraw/zinc/00/16/41/350001641.db2.gz QTLPADIEMUHCQN-JTQLQIEISA-N -1 3 237.299 2.742 20 0 BFADHM Cc1conc1[N-]C(=O)c1ccc(Cl)s1 ZINC000123964067 179759224 /nfs/dbraw/zinc/75/92/24/179759224.db2.gz NYYHWOOFZRWGRI-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc(Cl)cc1 ZINC000005727325 350201578 /nfs/dbraw/zinc/20/15/78/350201578.db2.gz RDCFSSTXBCFEGR-UHFFFAOYSA-N -1 3 228.679 2.802 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)cc1 ZINC000005727325 350201581 /nfs/dbraw/zinc/20/15/81/350201581.db2.gz RDCFSSTXBCFEGR-UHFFFAOYSA-N -1 3 228.679 2.802 20 0 BFADHM Cc1ccc(C(=O)N[C@]23C[C@H]2CCC3)c([O-])c1C ZINC000617211744 350380957 /nfs/dbraw/zinc/38/09/57/350380957.db2.gz PAOIZOQOVUUITR-IAQYHMDHSA-N -1 3 245.322 2.681 20 0 BFADHM CCc1cc(C(=O)N[C@@]23C[C@@H]2CCC3)ccc1[O-] ZINC000617217216 350387981 /nfs/dbraw/zinc/38/79/81/350387981.db2.gz ZTRWBNNHOLGGIV-WFASDCNBSA-N -1 3 245.322 2.627 20 0 BFADHM CCC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000227617121 350503791 /nfs/dbraw/zinc/50/37/91/350503791.db2.gz HUTYLRCDSAGPAN-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CCCC[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000337584740 350597799 /nfs/dbraw/zinc/59/77/99/350597799.db2.gz DQRBPTBLDBHYOW-SECBINFHSA-N -1 3 236.315 2.860 20 0 BFADHM C[C@H](N(C)Cc1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000385168015 350776724 /nfs/dbraw/zinc/77/67/24/350776724.db2.gz DVMGXLBIPVLDJU-VIFPVBQESA-N -1 3 237.299 2.598 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000626320879 350966760 /nfs/dbraw/zinc/96/67/60/350966760.db2.gz LMZHYDSSSWLPOC-ZYHUDNBSSA-N -1 3 247.338 2.819 20 0 BFADHM O=C(/C=C/C1CCC1)Nc1cccc([O-])c1F ZINC000492302353 229658338 /nfs/dbraw/zinc/65/83/38/229658338.db2.gz YLCZKMFUZMTNGK-BQYQJAHWSA-N -1 3 235.258 2.826 20 0 BFADHM CC1(C)CN(C(=O)c2ccccc2[O-])[C@@H]1C1CC1 ZINC000291068032 352259081 /nfs/dbraw/zinc/25/90/81/352259081.db2.gz ILHMVCFOHWYSDZ-CYBMUJFWSA-N -1 3 245.322 2.653 20 0 BFADHM CC(=O)c1cccc(NC(=O)[C@H](C)C(C)C)c1[O-] ZINC000583491106 352661893 /nfs/dbraw/zinc/66/18/93/352661893.db2.gz HOLBOHLQGKSYNM-SECBINFHSA-N -1 3 249.310 2.825 20 0 BFADHM CC(=O)c1cccc(NC(=O)[C@@H](C)C(C)C)c1[O-] ZINC000583491107 352662257 /nfs/dbraw/zinc/66/22/57/352662257.db2.gz HOLBOHLQGKSYNM-VIFPVBQESA-N -1 3 249.310 2.825 20 0 BFADHM C[C@H]1C[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000334355915 352995510 /nfs/dbraw/zinc/99/55/10/352995510.db2.gz LSWDZMUWKOCLJU-YUMQZZPRSA-N -1 3 239.702 2.669 20 0 BFADHM CC1(C)C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000232964758 188017201 /nfs/dbraw/zinc/01/72/01/188017201.db2.gz VSRGZDXUTPWKGS-SNVBAGLBSA-N -1 3 239.702 2.574 20 0 BFADHM C/C(=C\C(=O)[N-]OC(C)C)c1ccccc1 ZINC000295698024 188039364 /nfs/dbraw/zinc/03/93/64/188039364.db2.gz NXXKUJLZIHJSOB-PKNBQFBNSA-N -1 3 219.284 2.546 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000613427050 363211568 /nfs/dbraw/zinc/21/15/68/363211568.db2.gz MWYSAQPYIOXAPZ-SNVBAGLBSA-N -1 3 246.310 2.696 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@H]1CCCC2(CC2)C1 ZINC000613427049 363211296 /nfs/dbraw/zinc/21/12/96/363211296.db2.gz MWYSAQPYIOXAPZ-JTQLQIEISA-N -1 3 246.310 2.696 20 0 BFADHM CC1=CC[C@](C)(C(=O)Nc2ncccc2[O-])CC1 ZINC000613426976 363211473 /nfs/dbraw/zinc/21/14/73/363211473.db2.gz MEBUCXMLNKMFGG-AWEZNQCLSA-N -1 3 246.310 2.862 20 0 BFADHM CC(C)CO[N-]C(=O)CC1=CCCCC1 ZINC000153546677 188332127 /nfs/dbraw/zinc/33/21/27/188332127.db2.gz KMIBDRLZGHWJTP-UHFFFAOYSA-N -1 3 211.305 2.581 20 0 BFADHM CC(C)c1cc(C(N)=O)c([O-])c(C(C)C)c1 ZINC000194039982 353615357 /nfs/dbraw/zinc/61/53/57/353615357.db2.gz JRPZWCVAUCNRAU-UHFFFAOYSA-N -1 3 221.300 2.738 20 0 BFADHM CCC1CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000334522834 353891049 /nfs/dbraw/zinc/89/10/49/353891049.db2.gz SNWKVFDKNVRGQU-UHFFFAOYSA-N -1 3 227.254 2.512 20 0 BFADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])C(C)(F)F ZINC000334674141 354416703 /nfs/dbraw/zinc/41/67/03/354416703.db2.gz NCNZHYLYYFBVAC-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM CCCN(C)C(=O)c1cc([O-])ccc1Cl ZINC000233022511 363391218 /nfs/dbraw/zinc/39/12/18/363391218.db2.gz PXYCAXCNEVHNHO-UHFFFAOYSA-N -1 3 227.691 2.528 20 0 BFADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)CC1(F)F ZINC000335173401 354939973 /nfs/dbraw/zinc/93/99/73/354939973.db2.gz PBLMLVTXCOFUOD-JTQLQIEISA-N -1 3 245.200 2.515 20 0 BFADHM C[C@@H]1CC(C)(C)CN1C(=O)c1ccccc1[O-] ZINC000335199230 355032105 /nfs/dbraw/zinc/03/21/05/355032105.db2.gz SSWAVZPLTHPBRK-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cccc(C(=O)N2CC(C)(C)C[C@H]2C)c1[O-] ZINC000412788581 191316022 /nfs/dbraw/zinc/31/60/22/191316022.db2.gz ZHYMOIYOJXGRNT-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1oc(CN(C(C)C)C2CC2)cc1C(=O)[O-] ZINC000583636270 355943539 /nfs/dbraw/zinc/94/35/39/355943539.db2.gz PSDHMZYOFCEURM-UHFFFAOYSA-N -1 3 237.299 2.659 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000336099323 134081369 /nfs/dbraw/zinc/08/13/69/134081369.db2.gz JYEIAMZNUGFOQY-UWVGGRQHSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1cc(C(=O)N[C@@H](C(C)C)C2CC2)ccc1[O-] ZINC000323965730 356667048 /nfs/dbraw/zinc/66/70/48/356667048.db2.gz UIKFLZPVKLGTTM-AWEZNQCLSA-N -1 3 247.338 2.865 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C)C1 ZINC000623359524 356801729 /nfs/dbraw/zinc/80/17/29/356801729.db2.gz VFRRVRCXGUGPCR-JTQLQIEISA-N -1 3 233.311 2.573 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CCC2(C)C)sc1C ZINC000450534573 202190677 /nfs/dbraw/zinc/19/06/77/202190677.db2.gz GDEBDZFJKOETAQ-VIFPVBQESA-N -1 3 238.356 2.677 20 0 BFADHM CC1(C)CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000358094296 356860095 /nfs/dbraw/zinc/86/00/95/356860095.db2.gz HJICQOWYRWEAKY-SECBINFHSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H]1C ZINC000623396918 357023491 /nfs/dbraw/zinc/02/34/91/357023491.db2.gz JIEMVQBQIHTPPV-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM CCCCN(CC)C(=O)c1c(C)cccc1[O-] ZINC000623397664 357026873 /nfs/dbraw/zinc/02/68/73/357026873.db2.gz KSHJJRBBKQGKNE-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H](C)C1 ZINC000626502106 357134441 /nfs/dbraw/zinc/13/44/41/357134441.db2.gz ZDYACCXBQDFILY-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM C[C@H]1CC[C@@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000230428711 357524194 /nfs/dbraw/zinc/52/41/94/357524194.db2.gz YCJXEFFJKSLLOA-WDEREUQCSA-N -1 3 233.311 2.558 20 0 BFADHM CCC(C)(C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000583210610 357528655 /nfs/dbraw/zinc/52/86/55/357528655.db2.gz DRDCGHXBRRZVPZ-UHFFFAOYSA-N -1 3 249.310 2.513 20 0 BFADHM CC1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000232799192 357685042 /nfs/dbraw/zinc/68/50/42/357685042.db2.gz JJZCKJCVAFPEIX-UHFFFAOYSA-N -1 3 239.702 2.576 20 0 BFADHM O=c1[n-]c(-c2cncs2)nc2ccc(F)cc12 ZINC000584505867 358004996 /nfs/dbraw/zinc/00/49/96/358004996.db2.gz PASPONORFQFFOG-UHFFFAOYSA-N -1 3 247.254 2.598 20 0 BFADHM CC[C@H](C)CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812860 358052354 /nfs/dbraw/zinc/05/23/54/358052354.db2.gz QGFVMKNECXGRMT-VIFPVBQESA-N -1 3 239.315 2.764 20 0 BFADHM Cc1nocc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000584786223 358182948 /nfs/dbraw/zinc/18/29/48/358182948.db2.gz DNNFKDSVLWEPJA-PLNGDYQASA-N -1 3 243.266 2.526 20 0 BFADHM CC(C)Cc1noc(-c2ccccc2[O-])n1 ZINC000082644363 491126288 /nfs/dbraw/zinc/12/62/88/491126288.db2.gz WKTDGHBXELGQDY-UHFFFAOYSA-N -1 3 218.256 2.641 20 0 BFADHM CCCCN(Cc1ccoc1C(=O)[O-])C1CC1 ZINC000042490652 358349737 /nfs/dbraw/zinc/34/97/37/358349737.db2.gz VHPXIHWUMPWNQI-UHFFFAOYSA-N -1 3 237.299 2.742 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H](C)C2CCC2)ccc1[O-] ZINC000325359536 358450492 /nfs/dbraw/zinc/45/04/92/358450492.db2.gz OWBJAUHTHZDOBF-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000176253530 134289520 /nfs/dbraw/zinc/28/95/20/134289520.db2.gz XDPOLCWIKYCHDI-ZJUUUORDSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1oc([C@@H](C)N(C)CC2CC2)cc1C(=O)[O-] ZINC000580456448 359564405 /nfs/dbraw/zinc/56/44/05/359564405.db2.gz BEKGCQDFWBKZJG-MRVPVSSYSA-N -1 3 237.299 2.689 20 0 BFADHM Cc1oc([C@H](C)N(C)CC2CC2)cc1C(=O)[O-] ZINC000580456449 359564625 /nfs/dbraw/zinc/56/46/25/359564625.db2.gz BEKGCQDFWBKZJG-QMMMGPOBSA-N -1 3 237.299 2.689 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCCC1(C)CC1 ZINC000626724936 359581496 /nfs/dbraw/zinc/58/14/96/359581496.db2.gz ULNDBRCTXCIGLU-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2)o1 ZINC000035122290 359648922 /nfs/dbraw/zinc/64/89/22/359648922.db2.gz VTVIQJHJIYMTOH-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1ccc([C@H](C)NCc2ncccc2[O-])cc1 ZINC000578680027 366625359 /nfs/dbraw/zinc/62/53/59/366625359.db2.gz ZZBUJEITCAWRFB-LBPRGKRZSA-N -1 3 242.322 2.946 20 0 BFADHM Cc1ccc([C@@H](C)NCc2ncccc2[O-])cc1 ZINC000578680026 366625622 /nfs/dbraw/zinc/62/56/22/366625622.db2.gz ZZBUJEITCAWRFB-GFCCVEGCSA-N -1 3 242.322 2.946 20 0 BFADHM Cc1ccc(NC(=O)c2cccc([O-])c2)c(C)n1 ZINC000094666426 360314940 /nfs/dbraw/zinc/31/49/40/360314940.db2.gz YZKMCZZFZVWVDL-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1C ZINC000628814493 360678590 /nfs/dbraw/zinc/67/85/90/360678590.db2.gz CBONSJNRBBVPQR-UHFFFAOYSA-N -1 3 245.322 2.776 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@@H]1C ZINC000629099783 360877641 /nfs/dbraw/zinc/87/76/41/360877641.db2.gz HZOKBLHRTMPHMG-DTWKUNHWSA-N -1 3 241.360 2.674 20 0 BFADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCC[C@@H]21 ZINC000629373381 361023791 /nfs/dbraw/zinc/02/37/91/361023791.db2.gz INLKKHRVMBTBJP-AAVRWANBSA-N -1 3 249.354 2.670 20 0 BFADHM CC(C)C[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380628 361189727 /nfs/dbraw/zinc/18/97/27/361189727.db2.gz VISULZLZLPCUPC-VIFPVBQESA-N -1 3 246.314 2.579 20 0 BFADHM Cc1nocc1[N-]C(=O)c1occc1C(C)C ZINC000640484970 361277236 /nfs/dbraw/zinc/27/72/36/361277236.db2.gz BLPQYSRSVKUQID-UHFFFAOYSA-N -1 3 234.255 2.952 20 0 BFADHM O=c1[n-]c(-c2cscn2)nc2cc(F)ccc12 ZINC000432511606 201162255 /nfs/dbraw/zinc/16/22/55/201162255.db2.gz HVRRCHKDFNWWRA-UHFFFAOYSA-N -1 3 247.254 2.598 20 0 BFADHM Cc1ncc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000436508161 201332342 /nfs/dbraw/zinc/33/23/42/201332342.db2.gz CBOCJMFBJYEZEW-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2C=CCCC2)c([O-])c1C ZINC000436587652 201331741 /nfs/dbraw/zinc/33/17/41/201331741.db2.gz PWWLUZRUEKTZOL-LBPRGKRZSA-N -1 3 245.322 2.848 20 0 BFADHM CC(C)c1ccc(C(=O)NC2CCC2)c([O-])c1 ZINC000436482168 201329750 /nfs/dbraw/zinc/32/97/50/201329750.db2.gz HHDKMXPDIYJSMS-UHFFFAOYSA-N -1 3 233.311 2.798 20 0 BFADHM CCCN(C(=O)c1cc(CC)ccc1[O-])C1CC1 ZINC000436568734 201331461 /nfs/dbraw/zinc/33/14/61/201331461.db2.gz VZVYDNOQVHCIFO-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC2(C)C)c([O-])c1C ZINC000436796901 201336870 /nfs/dbraw/zinc/33/68/70/201336870.db2.gz XOQCLJLILVXIIU-LBPRGKRZSA-N -1 3 247.338 2.927 20 0 BFADHM CC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC000436568309 201332604 /nfs/dbraw/zinc/33/26/04/201332604.db2.gz SEMOAINULCZSGJ-GFCCVEGCSA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@@H](C)Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000630385107 364098174 /nfs/dbraw/zinc/09/81/74/364098174.db2.gz LYRCGPVHINMUAI-MRVPVSSYSA-N -1 3 232.283 2.630 20 0 BFADHM Cc1oc([C@H](C)N2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000574047112 364975434 /nfs/dbraw/zinc/97/54/34/364975434.db2.gz SWGWPEBCFQAIMZ-IUCAKERBSA-N -1 3 237.299 2.832 20 0 BFADHM CC(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000444528368 193049364 /nfs/dbraw/zinc/04/93/64/193049364.db2.gz NKQBIFZTCOOOMG-CYBMUJFWSA-N -1 3 247.338 2.900 20 0 BFADHM [O-]c1cccnc1CSCCC(F)(F)F ZINC000576003808 365445177 /nfs/dbraw/zinc/44/51/77/365445177.db2.gz FQCYKTSZFXREDB-UHFFFAOYSA-N -1 3 237.246 2.973 20 0 BFADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000185783300 367143525 /nfs/dbraw/zinc/14/35/25/367143525.db2.gz WPQMWAQIEQKMHJ-DTWKUNHWSA-N -1 3 237.274 2.762 20 0 BFADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000185783281 367143551 /nfs/dbraw/zinc/14/35/51/367143551.db2.gz WPQMWAQIEQKMHJ-BDAKNGLRSA-N -1 3 237.274 2.762 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cncc(Cl)c1 ZINC000622322426 370848685 /nfs/dbraw/zinc/84/86/85/370848685.db2.gz PHSOMXXSCXQSAW-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CCc1cccc(C(=O)Nc2ccccc2[O-])n1 ZINC000622322137 370848772 /nfs/dbraw/zinc/84/87/72/370848772.db2.gz AUAVLGYJPLZUPU-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM O=C(N[C@H]1CC2CCC1CC2)c1ccccc1[O-] ZINC000380907448 367322587 /nfs/dbraw/zinc/32/25/87/367322587.db2.gz RKZKICRAZOQTJW-XIVSLSHWSA-N -1 3 245.322 2.701 20 0 BFADHM C[C@@H](N(C)Cc1ccc(C(=O)[O-])o1)C1(C)CC1 ZINC000385163245 367804144 /nfs/dbraw/zinc/80/41/44/367804144.db2.gz CELQHEQMHVEJTQ-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@H](N(C)Cc1occc1C(=O)[O-])C1(C)CC1 ZINC000385210743 367809076 /nfs/dbraw/zinc/80/90/76/367809076.db2.gz WXEABIXIMITZTO-VIFPVBQESA-N -1 3 237.299 2.598 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000581937616 367962755 /nfs/dbraw/zinc/96/27/55/367962755.db2.gz PUAFJLGLNYMCEU-OPRDCNLKSA-N -1 3 249.285 2.906 20 0 BFADHM O=C(N[C@H]1CC12CCCCC2)c1ccccc1[O-] ZINC000387236771 368128444 /nfs/dbraw/zinc/12/84/44/368128444.db2.gz IUZXKXBRSJVBNH-ZDUSSCGKSA-N -1 3 245.322 2.845 20 0 BFADHM Cc1ccc(C(=O)Nc2ncccc2[O-])cc1C ZINC000057632427 368497363 /nfs/dbraw/zinc/49/73/63/368497363.db2.gz AOOAPOBESOYORL-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CN(Cc1ccoc1C(=O)[O-])CC1CCCC1 ZINC000110837881 368819236 /nfs/dbraw/zinc/81/92/36/368819236.db2.gz MOJFMTQRONNOME-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM CC1(C)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000087256581 368891228 /nfs/dbraw/zinc/89/12/28/368891228.db2.gz ALHFRQMAPGJQPV-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccsn1 ZINC000622504984 370968496 /nfs/dbraw/zinc/96/84/96/370968496.db2.gz IZZWIXYEPWGCFB-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(C)C1CCC1 ZINC000568281663 326340853 /nfs/dbraw/zinc/34/08/53/326340853.db2.gz WXYJCPMYBHMXQM-UHFFFAOYSA-N -1 3 237.299 2.525 20 0 BFADHM CCN(CC(C)C)C(=O)c1c(C)cccc1[O-] ZINC000623933512 371161724 /nfs/dbraw/zinc/16/17/24/371161724.db2.gz HMAJCLPDSNTBBK-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(CC1CC1)C(C)C ZINC000624032192 371261156 /nfs/dbraw/zinc/26/11/56/371261156.db2.gz CQFXMEAMOGSQNU-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)C12CC(C1)C2 ZINC000627524964 371683928 /nfs/dbraw/zinc/68/39/28/371683928.db2.gz GJDKYRTYUABQNH-UHFFFAOYSA-N -1 3 237.686 2.784 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000627831800 372044188 /nfs/dbraw/zinc/04/41/88/372044188.db2.gz OLNMNJPJJAYMMD-NWDGAFQWSA-N -1 3 245.322 2.619 20 0 BFADHM CC(C)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000172156142 372891738 /nfs/dbraw/zinc/89/17/38/372891738.db2.gz WUEGEHVFNHIQKL-VIFPVBQESA-N -1 3 207.273 2.623 20 0 BFADHM O=C(NC1CCCC1)c1cc([O-])ccc1Cl ZINC000236609405 182110401 /nfs/dbraw/zinc/11/04/01/182110401.db2.gz WEKWYAHGZNSSBL-UHFFFAOYSA-N -1 3 239.702 2.718 20 0 BFADHM O=C(NCCC1CCCC1)c1cccc([O-])c1 ZINC000037741576 182155862 /nfs/dbraw/zinc/15/58/62/182155862.db2.gz CKUITMBVQVHRLR-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM O=C(NCCC1CC1)c1cc([O-])ccc1Cl ZINC000236611155 182154425 /nfs/dbraw/zinc/15/44/25/182154425.db2.gz HMYBAPKSHWAPSR-UHFFFAOYSA-N -1 3 239.702 2.576 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000634085148 373950188 /nfs/dbraw/zinc/95/01/88/373950188.db2.gz XWBZWKTWPDXTNU-NHYWBVRUSA-N -1 3 245.322 2.763 20 0 BFADHM O=C([N-]OCC1CC1)Nc1cccc(Cl)c1 ZINC000292409509 182281980 /nfs/dbraw/zinc/28/19/80/182281980.db2.gz YJOJFCLJOCNENO-UHFFFAOYSA-N -1 3 240.690 2.803 20 0 BFADHM [O-]C(=NOCCC(F)(F)F)Nc1ccccc1 ZINC000162439301 182283510 /nfs/dbraw/zinc/28/35/10/182283510.db2.gz VOURHTHBWQRSQU-UHFFFAOYSA-N -1 3 248.204 2.692 20 0 BFADHM O=C([N-]OCCC(F)(F)F)Nc1ccccc1 ZINC000162439301 182283512 /nfs/dbraw/zinc/28/35/12/182283512.db2.gz VOURHTHBWQRSQU-UHFFFAOYSA-N -1 3 248.204 2.692 20 0 BFADHM O=C([N-][C@@H]1CCc2cc(Cl)ccc21)C(F)F ZINC000194391132 182313049 /nfs/dbraw/zinc/31/30/49/182313049.db2.gz FXUPFEZIZMYSDH-SECBINFHSA-N -1 3 245.656 2.709 20 0 BFADHM O=C([N-]c1c(F)cccc1F)c1cscn1 ZINC000041507036 182346926 /nfs/dbraw/zinc/34/69/26/182346926.db2.gz PWKWGTZAYJFZDT-UHFFFAOYSA-N -1 3 240.234 2.674 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc[nH]1 ZINC000040866951 182348817 /nfs/dbraw/zinc/34/88/17/182348817.db2.gz TYVNSZLKOLJGFQ-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1(CCF)CC1 ZINC000290417823 182349936 /nfs/dbraw/zinc/34/99/36/182349936.db2.gz QERDHEYXDHBVOZ-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C(C1CC1)C1CC1 ZINC000124365529 182361028 /nfs/dbraw/zinc/36/10/28/182361028.db2.gz UIGOJDYLQPCRDS-UHFFFAOYSA-N -1 3 249.285 2.906 20 0 BFADHM O=C(Nc1ccccc1[O-])c1occ2c1CCC2 ZINC000336467442 182380474 /nfs/dbraw/zinc/38/04/74/182380474.db2.gz ZCOHTRCPAHSUJI-UHFFFAOYSA-N -1 3 243.262 2.726 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCCS1 ZINC000272995168 182381066 /nfs/dbraw/zinc/38/10/66/182381066.db2.gz XXFUSCRNIXYRNZ-LLVKDONJSA-N -1 3 237.324 2.616 20 0 BFADHM CCCC[C@H](NCc1ccccc1F)C(=O)[O-] ZINC000075423818 169011794 /nfs/dbraw/zinc/01/17/94/169011794.db2.gz YZJVYQLLFBESBI-LBPRGKRZSA-N -1 3 239.290 2.559 20 0 BFADHM CCCN(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000037097615 169047307 /nfs/dbraw/zinc/04/73/07/169047307.db2.gz BMVOJOYBJNXPGI-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CCCN(C(=O)c1ccc([O-])c(CC)c1)C1CC1 ZINC000291535657 169047471 /nfs/dbraw/zinc/04/74/71/169047471.db2.gz OCCZWVSRNUKSCY-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CCCN(C)Cc1cccc([O-])c1Cl ZINC000294822128 169082081 /nfs/dbraw/zinc/08/20/81/169082081.db2.gz GDXVQOCTHQZVKV-UHFFFAOYSA-N -1 3 213.708 2.887 20 0 BFADHM CCCN(CC(F)F)C(=O)c1cccc([O-])c1 ZINC000272810978 169109566 /nfs/dbraw/zinc/10/95/66/169109566.db2.gz NMEJRYZFZISVLL-UHFFFAOYSA-N -1 3 243.253 2.510 20 0 BFADHM CCCN(CC)C(=O)c1cccc(C)c1[O-] ZINC000037023381 169119297 /nfs/dbraw/zinc/11/92/97/169119297.db2.gz UPZCVANXAJHPFS-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM [O-]c1ccc(-c2ccc(O)cc2)c(F)c1 ZINC000041661642 183264765 /nfs/dbraw/zinc/26/47/65/183264765.db2.gz OAYLOARNFVXSHW-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1ccc(-c2noc(C[C@H]3C=CCC3)n2)cc1 ZINC000264591195 183265693 /nfs/dbraw/zinc/26/56/93/183265693.db2.gz FOCFOCKIZUREOM-JTQLQIEISA-N -1 3 242.278 2.951 20 0 BFADHM [O-]c1cc(F)cc(CNc2ccccn2)c1 ZINC000309494740 183260073 /nfs/dbraw/zinc/26/00/73/183260073.db2.gz JVZVDKFJBZYFOA-UHFFFAOYSA-N -1 3 218.231 2.538 20 0 BFADHM CCCN(Cc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000035432257 169173151 /nfs/dbraw/zinc/17/31/51/169173151.db2.gz IRSJCGRGZKGSQG-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM [O-]c1cncc(-c2cc(F)ccc2F)c1 ZINC000065339095 183305463 /nfs/dbraw/zinc/30/54/63/183305463.db2.gz YGDFTFOUBRXUSL-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCCN(Cc1nc(C)ccc1[O-])CC(F)F ZINC000092737440 169181216 /nfs/dbraw/zinc/18/12/16/169181216.db2.gz VOALUQXYXJOBLQ-UHFFFAOYSA-N -1 3 244.285 2.573 20 0 BFADHM CCC[C@@H](C(=O)Nc1ncccc1[O-])C(C)C ZINC000122147058 169346739 /nfs/dbraw/zinc/34/67/39/169346739.db2.gz MNSJWNZAEFKXAE-SNVBAGLBSA-N -1 3 236.315 2.798 20 0 BFADHM COC(=O)c1cc(-c2ccc(Cl)s2)[n-]n1 ZINC000035206182 384016826 /nfs/dbraw/zinc/01/68/26/384016826.db2.gz OTTWGMLIFRGCPX-UHFFFAOYSA-N -1 3 242.687 2.578 20 0 BFADHM COC(=O)c1cc(-c2ccc(Cl)s2)n[n-]1 ZINC000035206182 384016830 /nfs/dbraw/zinc/01/68/30/384016830.db2.gz OTTWGMLIFRGCPX-UHFFFAOYSA-N -1 3 242.687 2.578 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C)CC2)c1 ZINC000068780842 384014821 /nfs/dbraw/zinc/01/48/21/384014821.db2.gz VVKPSDDVCVAXLK-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM C[C@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000070308307 384099397 /nfs/dbraw/zinc/09/93/97/384099397.db2.gz LSKQUJNADNIHLT-JTQLQIEISA-N -1 3 233.311 2.701 20 0 BFADHM [O-]c1ccc(F)c(CN2C3CCC2CC3)c1F ZINC000560443793 384139780 /nfs/dbraw/zinc/13/97/80/384139780.db2.gz HECMEBSAIHWSBW-UHFFFAOYSA-N -1 3 239.265 2.797 20 0 BFADHM CC(C)CCC(=O)[N-]OCc1ccccc1 ZINC000061509126 384468795 /nfs/dbraw/zinc/46/87/95/384468795.db2.gz DSCKNVVUIZJRPD-UHFFFAOYSA-N -1 3 221.300 2.671 20 0 BFADHM CCC1(CNC(=O)c2cccc(C)c2[O-])CC1 ZINC000176088094 384550791 /nfs/dbraw/zinc/55/07/91/384550791.db2.gz MIODXOUCQGFYBE-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM O=[S@](CC1CCCC1)c1cccc([O-])c1 ZINC000184062325 384560270 /nfs/dbraw/zinc/56/02/70/384560270.db2.gz TWLVTTRIGJMMEQ-OAHLLOKOSA-N -1 3 224.325 2.690 20 0 BFADHM Cc1ccc([C@@H]2CCCN2[C@H](C)C(=O)[O-])s1 ZINC000309750193 384578974 /nfs/dbraw/zinc/57/89/74/384578974.db2.gz KINIHLDWKNIBDK-ZJUUUORDSA-N -1 3 239.340 2.667 20 0 BFADHM CCC[C@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000359913102 384609501 /nfs/dbraw/zinc/60/95/01/384609501.db2.gz QIACIFWSUSCTHM-VHSXEESVSA-N -1 3 219.284 2.767 20 0 BFADHM CCC[C@@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000359913103 384610307 /nfs/dbraw/zinc/61/03/07/384610307.db2.gz QIACIFWSUSCTHM-ZJUUUORDSA-N -1 3 219.284 2.767 20 0 BFADHM Cc1cccc(C(=O)Nc2ccncc2C)c1[O-] ZINC000104250555 384668398 /nfs/dbraw/zinc/66/83/98/384668398.db2.gz AVQOTRXFQGPQKM-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C)c1 ZINC000050566623 384634308 /nfs/dbraw/zinc/63/43/08/384634308.db2.gz QAZNGQCIJKSODA-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)c([O-])c1 ZINC000184898950 384658930 /nfs/dbraw/zinc/65/89/30/384658930.db2.gz YKPVOJPBMDOOGY-QWRGUYRKSA-N -1 3 233.311 2.931 20 0 BFADHM Cc1ccc(NC(=O)C2CC=CC2)c([O-])c1 ZINC000082866031 384724211 /nfs/dbraw/zinc/72/42/11/384724211.db2.gz XAMILWDKSLMIDI-UHFFFAOYSA-N -1 3 217.268 2.605 20 0 BFADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000186012742 384809437 /nfs/dbraw/zinc/80/94/37/384809437.db2.gz QIADTJZEHDOHRS-ZJUUUORDSA-N -1 3 219.284 2.623 20 0 BFADHM Cc1cc(C(=O)N[C@@]2(C)CC=CCC2)ccc1[O-] ZINC000398265408 384871659 /nfs/dbraw/zinc/87/16/59/384871659.db2.gz CEFUHDPCMLKAEA-HNNXBMFYSA-N -1 3 245.322 2.929 20 0 BFADHM O=C(CCC1CCC1)[N-]OCc1ccccc1 ZINC000175782799 384956600 /nfs/dbraw/zinc/95/66/00/384956600.db2.gz FGTRGSROGULTGC-UHFFFAOYSA-N -1 3 233.311 2.815 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2(C3(C)CC3)CC2)c1 ZINC000398310411 384903764 /nfs/dbraw/zinc/90/37/64/384903764.db2.gz QCKSXWWERBLRTP-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1cc(C(=O)N(C)C(C)(C)C)ccc1[O-] ZINC000336133981 384919331 /nfs/dbraw/zinc/91/93/31/384919331.db2.gz AXGQRUWSINIEME-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM CCC1(C)CN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000291090943 385198701 /nfs/dbraw/zinc/19/87/01/385198701.db2.gz QAYBRWRCEOEWJM-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CC(C)CCCNC(=O)c1cccc([O-])c1 ZINC000062098005 385155609 /nfs/dbraw/zinc/15/56/09/385155609.db2.gz ZIJZQZYIDGQFHA-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM CC(C(=O)[N-]OCc1cccnc1)=C1CCCC1 ZINC000153291131 385248748 /nfs/dbraw/zinc/24/87/48/385248748.db2.gz CJSJRVPAJBDVLK-UHFFFAOYSA-N -1 3 246.310 2.520 20 0 BFADHM CS[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153644964 385271340 /nfs/dbraw/zinc/27/13/40/385271340.db2.gz YRXUPOMHPJCUIJ-ZCFIWIBFSA-N -1 3 245.731 2.736 20 0 BFADHM CCC[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000360769886 385389837 /nfs/dbraw/zinc/38/98/37/385389837.db2.gz SAYTYZJQCAWKTC-WPRPVWTQSA-N -1 3 237.274 2.906 20 0 BFADHM CCO[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000155466076 385391416 /nfs/dbraw/zinc/39/14/16/385391416.db2.gz UFGIUVRFQRZIBY-NSHDSACASA-N -1 3 235.327 2.810 20 0 BFADHM CCc1cc(C(=O)N[C@@H](C)C2CCC2)ccc1[O-] ZINC000644045460 385395415 /nfs/dbraw/zinc/39/54/15/385395415.db2.gz VRBQDUZRXGQKGP-JTQLQIEISA-N -1 3 247.338 2.873 20 0 BFADHM C[C@H](c1ccco1)N(C)C(=O)c1cccc([O-])c1 ZINC000181897846 385443660 /nfs/dbraw/zinc/44/36/60/385443660.db2.gz XNASVEFSQZXMKJ-SNVBAGLBSA-N -1 3 245.278 2.818 20 0 BFADHM CC/C=C(\C)C(=O)Nc1ccccc1[O-] ZINC000178998465 385433189 /nfs/dbraw/zinc/43/31/89/385433189.db2.gz GPURUKZSUDOUQN-RMKNXTFCSA-N -1 3 205.257 2.687 20 0 BFADHM CCO[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000170979318 385461307 /nfs/dbraw/zinc/46/13/07/385461307.db2.gz AYBUUPYUYZGAOH-GFCCVEGCSA-N -1 3 233.311 2.564 20 0 BFADHM CCO[N-]C(=O)C[C@@H]1CCCc2ccccc21 ZINC000170979316 385461348 /nfs/dbraw/zinc/46/13/48/385461348.db2.gz AYBUUPYUYZGAOH-LBPRGKRZSA-N -1 3 233.311 2.564 20 0 BFADHM CCO[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000171524717 385492074 /nfs/dbraw/zinc/49/20/74/385492074.db2.gz JRZJZVBLWJJKLF-NSHDSACASA-N -1 3 221.300 2.638 20 0 BFADHM CC(C)(C)CCO[N-]C(=O)/C=C\c1cccnc1 ZINC000493749608 385612891 /nfs/dbraw/zinc/61/28/91/385612891.db2.gz DRXYICHKFPUHIN-SREVYHEPSA-N -1 3 248.326 2.579 20 0 BFADHM Cc1cnc([N-]C(=O)c2cc(C3CC3)no2)s1 ZINC000281477644 385675875 /nfs/dbraw/zinc/67/58/75/385675875.db2.gz OUDUVXWRFLJYPK-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CS[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000183015138 385730519 /nfs/dbraw/zinc/73/05/19/385730519.db2.gz CHFOMDLRPIJILR-SECBINFHSA-N -1 3 239.340 2.781 20 0 BFADHM CCO[N-]C(=O)Nc1ccccc1OC(C)C ZINC000182926043 385721978 /nfs/dbraw/zinc/72/19/78/385721978.db2.gz YBDKWGMJDPZIFI-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CC1(C)CC[C@H]1NCc1c(F)ccc([O-])c1F ZINC000294073932 385800704 /nfs/dbraw/zinc/80/07/04/385800704.db2.gz YPZYXNFPABTYPB-LLVKDONJSA-N -1 3 241.281 2.949 20 0 BFADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H]2C)c([O-])c1 ZINC000294046234 385792419 /nfs/dbraw/zinc/79/24/19/385792419.db2.gz KJQYNWAHZFCBQP-GHMZBOCLSA-N -1 3 247.338 2.996 20 0 BFADHM Cc1cc(C(=O)N2CC(C)(C)C[C@H]2C)ccc1[O-] ZINC000413971778 385918628 /nfs/dbraw/zinc/91/86/28/385918628.db2.gz IVVNVZSJLBUDHR-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM CCCn1c(=O)[n-]nc1S[C@@H]1CC[C@H](C)C1 ZINC000338519129 386035459 /nfs/dbraw/zinc/03/54/59/386035459.db2.gz FQECTSWTTPHSER-DTWKUNHWSA-N -1 3 241.360 2.674 20 0 BFADHM CCc1cc(C(=O)NC2(CC)CC2)ccc1[O-] ZINC000296188968 386148154 /nfs/dbraw/zinc/14/81/54/386148154.db2.gz MGLFXOQQKPCQCJ-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM C[C@]1(F)CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000296142370 386142800 /nfs/dbraw/zinc/14/28/00/386142800.db2.gz VHXOGABGTXAJRK-ZDUSSCGKSA-N -1 3 241.281 2.855 20 0 BFADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000288539932 386213204 /nfs/dbraw/zinc/21/32/04/386213204.db2.gz KTJVZTYPSSMLTC-LURJTMIESA-N -1 3 249.207 2.797 20 0 BFADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1F ZINC000288644912 386225933 /nfs/dbraw/zinc/22/59/33/386225933.db2.gz USNXRVNKMVUOEA-LURJTMIESA-N -1 3 249.207 2.797 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000188244594 386320343 /nfs/dbraw/zinc/32/03/43/386320343.db2.gz HZIFJTPGLPYAMH-GHMZBOCLSA-N -1 3 247.338 2.825 20 0 BFADHM CCN(CC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000298717534 386375837 /nfs/dbraw/zinc/37/58/37/386375837.db2.gz ZRLLQIOHINMLLZ-UHFFFAOYSA-N -1 3 235.327 2.998 20 0 BFADHM C[C@H](C1CC1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000298337059 386326462 /nfs/dbraw/zinc/32/64/62/386326462.db2.gz PVQXLCUDSMPUFT-SNVBAGLBSA-N -1 3 245.322 2.795 20 0 BFADHM Cc1cc(C(=O)N(C)[C@H](C)C(C)C)ccc1[O-] ZINC000227016605 386446414 /nfs/dbraw/zinc/44/64/14/386446414.db2.gz FKHNWROERYHZBE-LLVKDONJSA-N -1 3 235.327 2.817 20 0 BFADHM Cc1cc(C(=O)NC[C@H]2CC=CCC2)ccc1[O-] ZINC000227022964 386448065 /nfs/dbraw/zinc/44/80/65/386448065.db2.gz MZERSSHEOMIICS-LBPRGKRZSA-N -1 3 245.322 2.787 20 0 BFADHM CC[C@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000335427340 386482137 /nfs/dbraw/zinc/48/21/37/386482137.db2.gz KKNDRRRAMOFXQO-QMMMGPOBSA-N -1 3 239.702 2.670 20 0 BFADHM C/C(=C\C(C)(C)C)C(=O)[N-]OC/C=C/Cl ZINC000292114068 386620949 /nfs/dbraw/zinc/62/09/49/386620949.db2.gz DKCUCELKGXTFJR-HHWLVVFRSA-N -1 3 231.723 2.779 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@H](C2CC2)C1 ZINC000292116220 386621297 /nfs/dbraw/zinc/62/12/97/386621297.db2.gz QBLRYEGGQVGVPN-ZDUSSCGKSA-N -1 3 245.322 2.654 20 0 BFADHM CCc1cc(C(=O)N(C)C(C)(C)C)ccc1[O-] ZINC000335514595 386652518 /nfs/dbraw/zinc/65/25/18/386652518.db2.gz RVXTXBDLEZPNIH-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM CCc1cc(C(=O)N2C[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000291980580 386604519 /nfs/dbraw/zinc/60/45/19/386604519.db2.gz QVAJQIYDSUSJOX-GHMZBOCLSA-N -1 3 247.338 2.683 20 0 BFADHM CC[C@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000279246795 386655047 /nfs/dbraw/zinc/65/50/47/386655047.db2.gz TZJOSPFEZTUZMM-VIFPVBQESA-N -1 3 249.207 2.797 20 0 BFADHM CCc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292701898 386712040 /nfs/dbraw/zinc/71/20/40/386712040.db2.gz GOAURHDOHIGUCC-UHFFFAOYSA-N -1 3 234.299 2.712 20 0 BFADHM CCc1cccc(C(=O)N2[C@H](C)C[C@H]2C)c1[O-] ZINC000526933937 386703537 /nfs/dbraw/zinc/70/35/37/386703537.db2.gz KPHQHBSSOYRCOE-NXEZZACHSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC2CC2)c(C)c1 ZINC000292792509 386727793 /nfs/dbraw/zinc/72/77/93/386727793.db2.gz UWTCSIVMSAGTJV-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM Cc1n[nH]cc1[N-]c1nc2cc(F)ccc2o1 ZINC000114448505 386755814 /nfs/dbraw/zinc/75/58/14/386755814.db2.gz MDMVHLQCRYOVOT-UHFFFAOYSA-N -1 3 232.218 2.742 20 0 BFADHM CCc1cc(C(=O)N2CCC=C(C)C2)ccc1[O-] ZINC000292965982 386759117 /nfs/dbraw/zinc/75/91/17/386759117.db2.gz QPGSHNJNOLZPPN-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM Cc1ccc(C(=O)NCC2CCCC2)c([O-])c1 ZINC000031370018 386769820 /nfs/dbraw/zinc/76/98/20/386769820.db2.gz QEZATWBOCCITRJ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1cc(C(=O)NCCC2(C)CC2)ccc1[O-] ZINC000280021398 386769826 /nfs/dbraw/zinc/76/98/26/386769826.db2.gz NHIIBTBPVNBCPG-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000388933036 386778288 /nfs/dbraw/zinc/77/82/88/386778288.db2.gz USHSGGUAEPLSIW-ZYHUDNBSSA-N -1 3 233.311 2.701 20 0 BFADHM CC[C@H](NC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000357427908 386782264 /nfs/dbraw/zinc/78/22/64/386782264.db2.gz GAGPJJJTBKUNLP-LBPRGKRZSA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350487784 386803242 /nfs/dbraw/zinc/80/32/42/386803242.db2.gz QDFRSUOCJNHKRC-ZETCQYMHSA-N -1 3 243.270 2.521 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)[C@H]1CC1(C)C ZINC000353231309 386832589 /nfs/dbraw/zinc/83/25/89/386832589.db2.gz IVEJVIRFQGRLLV-NSHDSACASA-N -1 3 241.281 2.901 20 0 BFADHM CO[C@H]1CCCC[C@@H]1[N-]c1nc(C(C)C)no1 ZINC000301457534 386846355 /nfs/dbraw/zinc/84/63/55/386846355.db2.gz NGUBBTNAKYFJNK-UWVGGRQHSA-N -1 3 239.319 2.563 20 0 BFADHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000293836645 386886755 /nfs/dbraw/zinc/88/67/55/386886755.db2.gz QGGVXBQAQOFFAE-GXFFZTMASA-N -1 3 249.310 2.536 20 0 BFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000332012965 386940036 /nfs/dbraw/zinc/94/00/36/386940036.db2.gz UELUTUKDSGLHKY-YGRLFVJLSA-N -1 3 249.310 2.776 20 0 BFADHM [O-]c1cccc(CNC[C@H]2CC23CC3)c1Cl ZINC000418095880 387091521 /nfs/dbraw/zinc/09/15/21/387091521.db2.gz MAJJYUSYHCKRQI-SNVBAGLBSA-N -1 3 237.730 2.935 20 0 BFADHM [O-]c1cccc(CNC[C@@H]2CC23CC3)c1Cl ZINC000418095872 387092469 /nfs/dbraw/zinc/09/24/69/387092469.db2.gz MAJJYUSYHCKRQI-JTQLQIEISA-N -1 3 237.730 2.935 20 0 BFADHM CSC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000336318931 387143046 /nfs/dbraw/zinc/14/30/46/387143046.db2.gz LKXUBIJEIWFIBK-UHFFFAOYSA-N -1 3 237.324 2.616 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC23CCCC3)c1 ZINC000395695945 387312907 /nfs/dbraw/zinc/31/29/07/387312907.db2.gz XHBMRIVPFYZRAG-CYBMUJFWSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1ncsc1NC(=O)c1ccc([O-])c(C)c1 ZINC000336440351 387267021 /nfs/dbraw/zinc/26/70/21/387267021.db2.gz YKUHKPDBKFCWCE-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000121937466 387443474 /nfs/dbraw/zinc/44/34/74/387443474.db2.gz GUPCSLGUZXGUTR-JTQLQIEISA-N -1 3 242.278 2.529 20 0 BFADHM CC(C)=CCSc1n[n-]c(-c2ccccn2)n1 ZINC000361085062 387398688 /nfs/dbraw/zinc/39/86/88/387398688.db2.gz FHQWCAPTBSAPQN-UHFFFAOYSA-N -1 3 246.339 2.925 20 0 BFADHM CC[C@@H](C)CCC(=O)Nc1ncccc1[O-] ZINC000354618025 387403657 /nfs/dbraw/zinc/40/36/57/387403657.db2.gz TXPLOTJLHJIIES-SECBINFHSA-N -1 3 222.288 2.552 20 0 BFADHM CSc1ccc(C(=O)[N-]c2nocc2C)o1 ZINC000123790122 387594364 /nfs/dbraw/zinc/59/43/64/387594364.db2.gz FWOQJWBURPFLGU-UHFFFAOYSA-N -1 3 238.268 2.550 20 0 BFADHM C[C@@H](C1CCC1)N(C)C(=O)c1cccc([O-])c1 ZINC000325345084 387547969 /nfs/dbraw/zinc/54/79/69/387547969.db2.gz LHDVROGZYJDZJX-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CC(C(=O)Nc2ncccc2[O-])C[C@@H](C)C1 ZINC000356258544 387633849 /nfs/dbraw/zinc/63/38/49/387633849.db2.gz PIVUQLPQSPGTAI-UWVGGRQHSA-N -1 3 248.326 2.798 20 0 BFADHM CS[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000125718107 387663302 /nfs/dbraw/zinc/66/33/02/387663302.db2.gz DMQROTXDSZEUSD-ZETCQYMHSA-N -1 3 243.303 2.611 20 0 BFADHM CCO[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000527788650 387714464 /nfs/dbraw/zinc/71/44/64/387714464.db2.gz UWNWWYAMAXEKAF-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM Cc1cc(C)cc(CCC(=O)[N-]OC(C)C)c1 ZINC000295507420 177895771 /nfs/dbraw/zinc/89/57/71/177895771.db2.gz HEKSEYSNZMXGAN-UHFFFAOYSA-N -1 3 235.327 2.692 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2ccccc2[O-])[C@H]1C1CC1 ZINC000528115062 387848375 /nfs/dbraw/zinc/84/83/75/387848375.db2.gz OXXZRYAYBOJAAR-ZEGGKSINSA-N -1 3 231.295 2.623 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CCCC12CC2 ZINC000528116672 387850418 /nfs/dbraw/zinc/85/04/18/387850418.db2.gz SXAFKSJTTWFMEE-SNVBAGLBSA-N -1 3 231.295 2.911 20 0 BFADHM CO[C@@H](C)[C@H](C)NCc1cccc([O-])c1Cl ZINC000293148179 387890459 /nfs/dbraw/zinc/89/04/59/387890459.db2.gz DLDRDYFDVJLNKS-IUCAKERBSA-N -1 3 243.734 2.559 20 0 BFADHM O=C(Nc1cccnc1)c1cc([O-])ccc1Cl ZINC000236559158 387895390 /nfs/dbraw/zinc/89/53/90/387895390.db2.gz RZZZQYZNUHDHQK-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245524166 387954451 /nfs/dbraw/zinc/95/44/51/387954451.db2.gz ACUODLOKSGQHSR-IAZYJMLFSA-N -1 3 231.295 2.685 20 0 BFADHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000453004461 387957200 /nfs/dbraw/zinc/95/72/00/387957200.db2.gz SZNJHYXTEZKBKS-WCQYABFASA-N -1 3 247.338 2.948 20 0 BFADHM CCc1cc(=O)[n-]c(CSC2CCCC2)n1 ZINC000083500384 388054401 /nfs/dbraw/zinc/05/44/01/388054401.db2.gz PXEPJGINJMSWRW-UHFFFAOYSA-N -1 3 238.356 2.508 20 0 BFADHM C[C@@H]1C[C@@H]1c1noc(-c2ccccc2[O-])n1 ZINC000083811024 388063532 /nfs/dbraw/zinc/06/35/32/388063532.db2.gz LJNIFAWIQQCUTD-APPZFPTMSA-N -1 3 216.240 2.566 20 0 BFADHM CC1(C)CC=C(C(=O)Nc2ncccc2[O-])CC1 ZINC000456005893 388171222 /nfs/dbraw/zinc/17/12/22/388171222.db2.gz LPSCQBCYMDEMBT-UHFFFAOYSA-N -1 3 246.310 2.862 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2=CC[C@@H](C)CC2)n1 ZINC000456035613 388173648 /nfs/dbraw/zinc/17/36/48/388173648.db2.gz WIKCVHLPVGRZOL-SECBINFHSA-N -1 3 246.310 2.781 20 0 BFADHM CC[C@H](NCc1cc([O-])cc(F)c1)C(F)F ZINC000449360141 388181560 /nfs/dbraw/zinc/18/15/60/388181560.db2.gz IXHLZYGKEOHTBW-JTQLQIEISA-N -1 3 233.233 2.665 20 0 BFADHM CC(C)=CCCNC(=O)c1ccc([O-])c(C)c1 ZINC000276599124 388349730 /nfs/dbraw/zinc/34/97/30/388349730.db2.gz FZXNLKGZBSNGRT-UHFFFAOYSA-N -1 3 233.311 2.787 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3C2)ccc1[O-] ZINC000226718654 388353925 /nfs/dbraw/zinc/35/39/25/388353925.db2.gz YOIUDCQIOYTKHB-STQMWFEESA-N -1 3 245.322 2.573 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(CC)C1CC1 ZINC000572652476 388363537 /nfs/dbraw/zinc/36/35/37/388363537.db2.gz WGLNDPVYLSINOH-UHFFFAOYSA-N -1 3 237.299 2.525 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](C(C)C)C2)n1 ZINC000572929143 388389261 /nfs/dbraw/zinc/38/92/61/388389261.db2.gz MAOLLIPDFYJYCL-VXGBXAGGSA-N -1 3 249.358 2.530 20 0 BFADHM CO[C@H](C)CCNCc1cccc([O-])c1Cl ZINC000293521094 388389890 /nfs/dbraw/zinc/38/98/90/388389890.db2.gz IPKZAFBFBXKLPF-SECBINFHSA-N -1 3 243.734 2.560 20 0 BFADHM COCC[C@H](C)NCc1cccc([O-])c1Cl ZINC000293568950 388390508 /nfs/dbraw/zinc/39/05/08/388390508.db2.gz MUDBUHRNSGOWNS-VIFPVBQESA-N -1 3 243.734 2.560 20 0 BFADHM CCC1(NC(=O)c2cccc([O-])c2)CCCC1 ZINC000294409639 388399997 /nfs/dbraw/zinc/39/99/97/388399997.db2.gz MNHOJRCLWLWBQR-UHFFFAOYSA-N -1 3 233.311 2.845 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C3CC3)C2)c1[O-] ZINC000335704493 388454335 /nfs/dbraw/zinc/45/43/35/388454335.db2.gz BGIQHIQNPSKILI-GFCCVEGCSA-N -1 3 245.322 2.573 20 0 BFADHM CCCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CC1 ZINC000649231290 388464077 /nfs/dbraw/zinc/46/40/77/388464077.db2.gz OSCFIVZWJALMRG-UHFFFAOYSA-N -1 3 249.358 2.782 20 0 BFADHM CCC[C@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233246 388464244 /nfs/dbraw/zinc/46/42/44/388464244.db2.gz GDKFSHXSDDWULL-VIFPVBQESA-N -1 3 237.347 2.638 20 0 BFADHM Cc1cc(C(=O)NCC2=CCCCC2)ccc1[O-] ZINC000296275736 388420407 /nfs/dbraw/zinc/42/04/07/388420407.db2.gz YSIJDDBMSDTEJS-UHFFFAOYSA-N -1 3 245.322 2.931 20 0 BFADHM O=C(NCC[C@@H]1CC=CCC1)c1cccc([O-])c1 ZINC000529867829 388594502 /nfs/dbraw/zinc/59/45/02/388594502.db2.gz FOJPLPHGRAQSGJ-GFCCVEGCSA-N -1 3 245.322 2.868 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC[C@@H](C)C(C)C)c1 ZINC000081066915 388566952 /nfs/dbraw/zinc/56/69/52/388566952.db2.gz SQLYNKBQRBPQHL-LLVKDONJSA-N -1 3 235.327 2.723 20 0 BFADHM CC(C)CO[N-]C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528881425 388580638 /nfs/dbraw/zinc/58/06/38/388580638.db2.gz OKEKDXFTWQFXIX-WDEREUQCSA-N -1 3 239.340 2.555 20 0 BFADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000528901093 388581960 /nfs/dbraw/zinc/58/19/60/388581960.db2.gz JPLMFEMEEOSDGT-PAWXDDDFSA-N -1 3 249.285 2.762 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])[C@H]1C1CC1 ZINC000528901087 388582256 /nfs/dbraw/zinc/58/22/56/388582256.db2.gz JPLMFEMEEOSDGT-HAGUPOPPSA-N -1 3 249.285 2.762 20 0 BFADHM CC1(C)CCN1C(=O)c1cc([O-])ccc1Cl ZINC000551351983 388627099 /nfs/dbraw/zinc/62/70/99/388627099.db2.gz NOYKYUFDEPBPHE-UHFFFAOYSA-N -1 3 239.702 2.670 20 0 BFADHM CC(=O)c1cccc(NC(=O)CC(C)(C)C)c1[O-] ZINC000552287099 388689888 /nfs/dbraw/zinc/68/98/88/388689888.db2.gz IIORFCSIPMOOEW-UHFFFAOYSA-N -1 3 249.310 2.970 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000248778995 388693119 /nfs/dbraw/zinc/69/31/19/388693119.db2.gz USPIBKZPCLMBQK-SCVCMEIPSA-N -1 3 249.358 2.530 20 0 BFADHM CCC(C)(C)CNC(=O)c1ccc(C)cc1[O-] ZINC000232841522 388857523 /nfs/dbraw/zinc/85/75/23/388857523.db2.gz FBFHKSUCYRIASW-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CC[C@]1(C)CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000556087471 388866719 /nfs/dbraw/zinc/86/67/19/388866719.db2.gz ZBSKORUMJCUHRT-BXUZGUMPSA-N -1 3 249.358 2.674 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@H](CC)C2)c1[O-] ZINC000153162453 388946406 /nfs/dbraw/zinc/94/64/06/388946406.db2.gz QBUINRIRMITBJM-NSHDSACASA-N -1 3 247.338 2.827 20 0 BFADHM CCC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC000227764724 322818740 /nfs/dbraw/zinc/81/87/40/322818740.db2.gz QZGQIDNYSLXHMW-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042435362 322838074 /nfs/dbraw/zinc/83/80/74/322838074.db2.gz MPDMWHUNZWGOAZ-WDEREUQCSA-N -1 3 235.327 2.865 20 0 BFADHM CCc1[nH]ccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000335939474 134013640 /nfs/dbraw/zinc/01/36/40/134013640.db2.gz HMLPIWFIRYXIGF-UHFFFAOYSA-N -1 3 244.294 2.843 20 0 BFADHM c1ccc(-c2nc(SC3CCC3)n[n-]2)nc1 ZINC000335973258 134030281 /nfs/dbraw/zinc/03/02/81/134030281.db2.gz YSHPLCKVEHTNRA-UHFFFAOYSA-N -1 3 232.312 2.511 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC=C(F)C2)c1 ZINC000335985578 134038678 /nfs/dbraw/zinc/03/86/78/134038678.db2.gz VWHYZESLTYLDKN-UHFFFAOYSA-N -1 3 249.285 2.654 20 0 BFADHM Cc1cc[nH]c1C(=O)Nc1c(C)cccc1[O-] ZINC000336153149 134105009 /nfs/dbraw/zinc/10/50/09/134105009.db2.gz PGCNBQCJZJZHGF-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM [O-]c1cc(F)cc(CNCc2cccc(F)c2)c1 ZINC000184135478 134358962 /nfs/dbraw/zinc/35/89/62/134358962.db2.gz OHTDUMAKAQSGHB-UHFFFAOYSA-N -1 3 249.260 2.960 20 0 BFADHM [O-]c1cc(F)cc(CNCc2ccccc2F)c1 ZINC000184132208 134359229 /nfs/dbraw/zinc/35/92/29/134359229.db2.gz LHVYGAHDXMRZAM-UHFFFAOYSA-N -1 3 249.260 2.960 20 0 BFADHM Cc1cc(C(=O)NCc2cccs2)ccc1[O-] ZINC000226714288 134370935 /nfs/dbraw/zinc/37/09/35/134370935.db2.gz IRNYKICECSWVIR-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM Cc1cc(C(=O)N(C)CC2CCC2)ccc1[O-] ZINC000226717726 134371024 /nfs/dbraw/zinc/37/10/24/134371024.db2.gz JSLFXWLMWYGNDV-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)ccc1[O-] ZINC000226996412 134371120 /nfs/dbraw/zinc/37/11/20/134371120.db2.gz LHEVJAMLCIZTPQ-JOYOIKCWSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)Nc2cccnc2C)ccc1[O-] ZINC000227037317 134373773 /nfs/dbraw/zinc/37/37/73/134373773.db2.gz HGONDQILLFXNOP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(NC(=O)[C@]2(C)CC2(F)F)c([O-])c1 ZINC000335568250 136108189 /nfs/dbraw/zinc/10/81/89/136108189.db2.gz PURYNHIYXBOBNH-NSHDSACASA-N -1 3 241.237 2.684 20 0 BFADHM CC(=O)[N-]OCCc1cc(Cl)cc(Cl)c1 ZINC000193601170 397896843 /nfs/dbraw/zinc/89/68/43/397896843.db2.gz YMUJLOPDGAOROG-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM COc1ccc([O-])c(-c2nc(C3(C)CC3)no2)c1 ZINC000156474953 397925097 /nfs/dbraw/zinc/92/50/97/397925097.db2.gz DHGIKIZQHANQAF-UHFFFAOYSA-N -1 3 246.266 2.502 20 0 BFADHM CCc1ccncc1NCc1nc(C)ccc1[O-] ZINC000650243053 398005077 /nfs/dbraw/zinc/00/50/77/398005077.db2.gz IMXKKGIYCQQOBD-UHFFFAOYSA-N -1 3 243.310 2.665 20 0 BFADHM CC(C)CCC(=O)Nc1ccc([O-])cc1F ZINC000082879384 398028895 /nfs/dbraw/zinc/02/88/95/398028895.db2.gz ZVNGRDNKRMMOKH-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2CCC(C)(C)O2)c([O-])c1 ZINC000278769082 398041612 /nfs/dbraw/zinc/04/16/12/398041612.db2.gz KUAKZOZVHNWRTP-GFCCVEGCSA-N -1 3 249.310 2.597 20 0 BFADHM CCc1cc(C(=O)N(CC)C(C)C)ccc1[O-] ZINC000291549616 398093806 /nfs/dbraw/zinc/09/38/06/398093806.db2.gz WLDKONPNCAZVFL-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM CCc1ccc(C(=O)N2CC(C)(CC)C2)c([O-])c1 ZINC000291119578 398089451 /nfs/dbraw/zinc/08/94/51/398089451.db2.gz UUSOTZMDAVPGOY-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000221487009 398118648 /nfs/dbraw/zinc/11/86/48/398118648.db2.gz KUIVEMAICVRCCS-UWVGGRQHSA-N -1 3 249.310 2.501 20 0 BFADHM O=C([O-])CCCCNCc1ccccc1Cl ZINC000232431857 487588313 /nfs/dbraw/zinc/58/83/13/487588313.db2.gz RTGHZZFLKLVNPV-UHFFFAOYSA-N -1 3 241.718 2.685 20 0 BFADHM CC(C)ON=C([O-])Nc1c(F)cc(F)cc1F ZINC000297122109 167275987 /nfs/dbraw/zinc/27/59/87/167275987.db2.gz ZHOQXCJZJJYEJE-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)O[N-]C(=O)Nc1c(F)cc(F)cc1F ZINC000297122109 167275990 /nfs/dbraw/zinc/27/59/90/167275990.db2.gz ZHOQXCJZJJYEJE-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM Cc1cccc(C(=O)NC2(C3CCC3)CC2)c1[O-] ZINC000650667991 410291328 /nfs/dbraw/zinc/29/13/28/410291328.db2.gz JZSDANIKVXBMSL-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CC(C)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000270118152 167036998 /nfs/dbraw/zinc/03/69/98/167036998.db2.gz IYOBKZXMUKXTDZ-UHFFFAOYSA-N -1 3 249.207 2.581 20 0 BFADHM CC(C)O[N-]C(=O)CCCc1cccs1 ZINC000293584507 167273845 /nfs/dbraw/zinc/27/38/45/167273845.db2.gz AYNMITUXKOGMDF-UHFFFAOYSA-N -1 3 227.329 2.527 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000295753882 167277834 /nfs/dbraw/zinc/27/78/34/167277834.db2.gz VAGLHUOFGXTLMR-SNVBAGLBSA-N -1 3 239.290 2.776 20 0 BFADHM CC(C)O[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000268499544 167277847 /nfs/dbraw/zinc/27/78/47/167277847.db2.gz RRVBIXSJSSBIBG-UHFFFAOYSA-N -1 3 243.306 2.839 20 0 BFADHM CC(C)[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174886399 167353638 /nfs/dbraw/zinc/35/36/38/167353638.db2.gz VRCTUQSGHQVBNW-MRVPVSSYSA-N -1 3 225.263 2.762 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC12CCCC2 ZINC000652580650 411280040 /nfs/dbraw/zinc/28/00/40/411280040.db2.gz XWSWHCKBYDHKFG-UHFFFAOYSA-N -1 3 231.295 2.551 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C)C1 ZINC000216006855 411304817 /nfs/dbraw/zinc/30/48/17/411304817.db2.gz KSXQUPDQQDIFQP-NXEZZACHSA-N -1 3 237.299 2.771 20 0 BFADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)[C@@H]1C ZINC000050565433 411259057 /nfs/dbraw/zinc/25/90/57/411259057.db2.gz BPQHIUIAKDPSSQ-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)ccc1[O-] ZINC000403689672 411353894 /nfs/dbraw/zinc/35/38/94/411353894.db2.gz YGQGWANZUIUJAT-WCFLWFBJSA-N -1 3 245.322 2.619 20 0 BFADHM CCC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000082879401 168269122 /nfs/dbraw/zinc/26/91/22/168269122.db2.gz PNJVYGPELRHCBU-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM Cc1sc(C(=O)[O-])cc1CN(C)C1CCC1 ZINC000127584545 411495698 /nfs/dbraw/zinc/49/56/98/411495698.db2.gz FESWUPRKJCQDIN-UHFFFAOYSA-N -1 3 239.340 2.739 20 0 BFADHM CC[C@@H]1C[C@@H](C(=O)Nc2ccccc2[O-])CCO1 ZINC000182935556 171116446 /nfs/dbraw/zinc/11/64/46/171116446.db2.gz AGUWJGDDYSCGOK-WDEREUQCSA-N -1 3 249.310 2.536 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000274788157 171159260 /nfs/dbraw/zinc/15/92/60/171159260.db2.gz LYJSKRVCFXKQSH-ZWNOBZJWSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC000185481696 171159754 /nfs/dbraw/zinc/15/97/54/171159754.db2.gz WSSFDLNIAPAEGW-ZYHUDNBSSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@@](C)(OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000233955534 171191109 /nfs/dbraw/zinc/19/11/09/171191109.db2.gz XOLNMHOGXBZOPL-CYBMUJFWSA-N -1 3 248.282 2.714 20 0 BFADHM CC[C@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000665059689 412075355 /nfs/dbraw/zinc/07/53/55/412075355.db2.gz CBHBLDZIIACXRO-QMMMGPOBSA-N -1 3 239.340 2.642 20 0 BFADHM CC[C@H](C)CN(CC)C(=O)c1cccc([O-])c1 ZINC000093263910 171278506 /nfs/dbraw/zinc/27/85/06/171278506.db2.gz IXGBNBPUHJJVMV-NSHDSACASA-N -1 3 235.327 2.900 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccsc1 ZINC000292886682 171290052 /nfs/dbraw/zinc/29/00/52/171290052.db2.gz YKXCOBQINOIPDN-QMMMGPOBSA-N -1 3 228.317 2.847 20 0 BFADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000088302038 171295227 /nfs/dbraw/zinc/29/52/27/171295227.db2.gz JNTAWAJXFKUSTB-WDEREUQCSA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062751565 171307806 /nfs/dbraw/zinc/30/78/06/171307806.db2.gz LYCXJJMZEOBXOQ-VIFPVBQESA-N -1 3 239.290 2.754 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1cc(C)ccc1[O-] ZINC000037113698 171312574 /nfs/dbraw/zinc/31/25/74/171312574.db2.gz JOIIKYRYCSEXLS-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM O=C([O-])c1cccc(CNCC2=CCCC2)c1 ZINC000665348549 412278314 /nfs/dbraw/zinc/27/83/14/412278314.db2.gz LFOBKEFGGBXQMM-UHFFFAOYSA-N -1 3 231.295 2.585 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H](CC)C2)ccc1[O-] ZINC000292241635 171750661 /nfs/dbraw/zinc/75/06/61/171750661.db2.gz RRKHESJHARLMJZ-NSHDSACASA-N -1 3 247.338 2.827 20 0 BFADHM CCc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000273394240 172072387 /nfs/dbraw/zinc/07/23/87/172072387.db2.gz JAHSYCMTJHLXSK-UHFFFAOYSA-N -1 3 244.294 2.883 20 0 BFADHM COCC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000293568934 174384499 /nfs/dbraw/zinc/38/44/99/174384499.db2.gz MUDBUHRNSGOWNS-SECBINFHSA-N -1 3 243.734 2.560 20 0 BFADHM COc1ccccc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000339116417 175315717 /nfs/dbraw/zinc/31/57/17/175315717.db2.gz OTRCJOLJBPMSHU-FPLPWBNLSA-N -1 3 242.278 2.670 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccccc1[O-] ZINC000336491053 176057927 /nfs/dbraw/zinc/05/79/27/176057927.db2.gz DBUVBWSTZAAZBY-LLVKDONJSA-N -1 3 245.322 2.797 20 0 BFADHM C[C@@H]1CCCCN(C(=O)c2ccccc2[O-])C1 ZINC000184458357 176065810 /nfs/dbraw/zinc/06/58/10/176065810.db2.gz SHPRPBPJJUNQDH-LLVKDONJSA-N -1 3 233.311 2.654 20 0 BFADHM C[C@@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071265101 176109021 /nfs/dbraw/zinc/10/90/21/176109021.db2.gz SDKBSJDKSYXTDJ-SECBINFHSA-N -1 3 237.274 2.508 20 0 BFADHM C[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000037256976 177136279 /nfs/dbraw/zinc/13/62/79/177136279.db2.gz FEKUFAVPOOBCII-JQWIXIFHSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000051734495 177154634 /nfs/dbraw/zinc/15/46/34/177154634.db2.gz YLVLJFKDLQNWRJ-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000335552825 177206497 /nfs/dbraw/zinc/20/64/97/177206497.db2.gz DQNUKDPRJKLEGJ-WRWORJQWSA-N -1 3 239.702 2.574 20 0 BFADHM C[C@H]1CN(C(=O)c2ccccc2[O-])C(C)(C)C1 ZINC000271461976 177227870 /nfs/dbraw/zinc/22/78/70/177227870.db2.gz YWWHLRRINALGCO-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1C[C@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000336770169 177379708 /nfs/dbraw/zinc/37/97/08/177379708.db2.gz WIOYGXGDEJTAGE-WDSKDSINSA-N -1 3 236.262 2.652 20 0 BFADHM O=C(/C=C/c1cncs1)Nc1ccccc1[O-] ZINC000493135163 226135505 /nfs/dbraw/zinc/13/55/05/226135505.db2.gz WKCHLSDJFXUYNT-AATRIKPKSA-N -1 3 246.291 2.501 20 0 BFADHM O=C(/C=C\c1ccsc1)[N-]OC/C=C/Cl ZINC000493500703 226234629 /nfs/dbraw/zinc/23/46/29/226234629.db2.gz SYPNDJOIBHBWRF-BLSIDPQXSA-N -1 3 243.715 2.562 20 0 BFADHM C[C@@H]1C[C@@H](C)N(Cc2c(F)ccc([O-])c2F)C1 ZINC000508721428 226373655 /nfs/dbraw/zinc/37/36/55/226373655.db2.gz XJKCXRSGGPUHGE-RKDXNWHRSA-N -1 3 241.281 2.901 20 0 BFADHM CCC[C@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616226 487671645 /nfs/dbraw/zinc/67/16/45/487671645.db2.gz ISQYZXNJUIPELS-SMDDNHRTSA-N -1 3 247.338 2.859 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403637392 229333916 /nfs/dbraw/zinc/33/39/16/229333916.db2.gz GRDNKFFNKXFQJN-AEJSXWLSSA-N -1 3 249.285 2.906 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2cccc([O-])c2F)[C@H]1C1CC1 ZINC000528918424 262979948 /nfs/dbraw/zinc/97/99/48/262979948.db2.gz MMAHAWLKZKQSLQ-UPZJHPNMSA-N -1 3 249.285 2.762 20 0 BFADHM O=C(c1ccccc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665676745 487722621 /nfs/dbraw/zinc/72/26/21/487722621.db2.gz GATPOTWHJNWVSI-GFCCVEGCSA-N -1 3 245.322 2.654 20 0 BFADHM CC(C)c1ccc2c(c1)CN(CCC(=O)[O-])CC2 ZINC000082791333 487734682 /nfs/dbraw/zinc/73/46/82/487734682.db2.gz XRSIRRHIQRUSDX-UHFFFAOYSA-N -1 3 247.338 2.643 20 0 BFADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)[C@H]1C ZINC000251599187 487775793 /nfs/dbraw/zinc/77/57/93/487775793.db2.gz BPQHIUIAKDPSSQ-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM CCCCn1c(SCSCC)n[n-]c1=O ZINC000791436471 585981422 /nfs/dbraw/zinc/98/14/22/585981422.db2.gz CNKKWWLSMNAVDR-UHFFFAOYSA-N -1 3 247.389 2.587 20 0 BFADHM CCCO[N-]C(=O)/C=C\c1ccc(Cl)s1 ZINC000493585938 528599634 /nfs/dbraw/zinc/59/96/34/528599634.db2.gz OCUUNRHVERIHBX-XQRVVYSFSA-N -1 3 245.731 2.873 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H](C)C1 ZINC000011802129 487889435 /nfs/dbraw/zinc/88/94/35/487889435.db2.gz UIAAVBIWMOUVCS-VIFPVBQESA-N -1 3 237.299 2.518 20 0 BFADHM CCO[C@H](CC)c1noc(-c2ccccc2[O-])n1 ZINC000157375805 487911346 /nfs/dbraw/zinc/91/13/46/487911346.db2.gz VOWTYTWRQCOUKB-LLVKDONJSA-N -1 3 248.282 2.930 20 0 BFADHM 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BFADHM O=C(Nc1ncccc1[O-])[C@@H]1CC12CCCCC2 ZINC000531929555 323154668 /nfs/dbraw/zinc/15/46/68/323154668.db2.gz UPGBYDBIEMXIKN-JTQLQIEISA-N -1 3 246.310 2.696 20 0 BFADHM C[C@@H]1CCCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000110805976 323154733 /nfs/dbraw/zinc/15/47/33/323154733.db2.gz MDDMOSDPOHEALD-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM CCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049179975 323158642 /nfs/dbraw/zinc/15/86/42/323158642.db2.gz KAJLWUYPNPMLKC-UHFFFAOYSA-N -1 3 247.338 2.801 20 0 BFADHM CCCCC(=O)Nc1cccc([O-])c1F ZINC000534944580 323162268 /nfs/dbraw/zinc/16/22/68/323162268.db2.gz GDJHQNWXDXTMIL-UHFFFAOYSA-N -1 3 211.236 2.660 20 0 BFADHM CCC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000563738090 323176491 /nfs/dbraw/zinc/17/64/91/323176491.db2.gz MBQBRFHEPOGBNM-SECBINFHSA-N -1 3 249.310 2.970 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2ccoc2)no1 ZINC000070414922 323193635 /nfs/dbraw/zinc/19/36/35/323193635.db2.gz PVUAQGROYNLXCC-UHFFFAOYSA-N -1 3 228.207 2.702 20 0 BFADHM 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/nfs/dbraw/zinc/36/76/28/585367628.db2.gz NXEKDPCGQBZLDI-MRVPVSSYSA-N -1 3 237.290 2.762 20 0 BFADHM CC(C)CCCCCC(=O)[N-]OCC(F)F ZINC000759331886 585367690 /nfs/dbraw/zinc/36/76/90/585367690.db2.gz UNFOXXRZEVNVCM-UHFFFAOYSA-N -1 3 237.290 2.906 20 0 BFADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OCC(F)F ZINC000759350888 585370960 /nfs/dbraw/zinc/37/09/60/585370960.db2.gz IPDRYJPEIKYEGR-BDAKNGLRSA-N -1 3 235.274 2.516 20 0 BFADHM CCO[N-]C(=O)Nc1csc2ccccc12 ZINC000760034907 585384802 /nfs/dbraw/zinc/38/48/02/585384802.db2.gz QQQNELDHVYOLPI-UHFFFAOYSA-N -1 3 236.296 2.974 20 0 BFADHM CCC(CC)[C@@H](C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000761600359 585417383 /nfs/dbraw/zinc/41/73/83/585417383.db2.gz DCFUDJSMSPSNCI-ZYHUDNBSSA-N -1 3 243.347 2.633 20 0 BFADHM CC[C@H]1CCCN(Cc2nc(C)cc(=O)[n-]2)CC1 ZINC000761876408 585421682 /nfs/dbraw/zinc/42/16/82/585421682.db2.gz PUWDQFADGUKHOF-LBPRGKRZSA-N -1 3 249.358 2.503 20 0 BFADHM O=C(C=C1CCCC1)Nc1cccc([O-])c1F ZINC000762315645 585430663 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DXZYUQRQKOSQGJ-SREVYHEPSA-N -1 3 234.280 2.776 20 0 BFADHM CC/C=C/CCOC(=O)c1ccc([O-])cc1O ZINC000767431519 585520055 /nfs/dbraw/zinc/52/00/55/585520055.db2.gz WRNLWJPMYUKANT-ONEGZZNKSA-N -1 3 236.267 2.611 20 0 BFADHM C/C(=C/C(C)(C)C)C(=O)[N-]OCC(F)(F)F ZINC000772167272 585609423 /nfs/dbraw/zinc/60/94/23/585609423.db2.gz JVWUALCRCINFOX-ALCCZGGFSA-N -1 3 239.237 2.589 20 0 BFADHM C/C(=C/C(C)(C)C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000772654538 585620059 /nfs/dbraw/zinc/62/00/59/585620059.db2.gz BQQKDVOGFKDHQI-DWOQACPDSA-N -1 3 241.331 2.553 20 0 BFADHM CCC/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000773696490 585642543 /nfs/dbraw/zinc/64/25/43/585642543.db2.gz BYKPLBCXFFWPAN-SNAWJCMRSA-N -1 3 223.247 2.826 20 0 BFADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1cccnc1 ZINC000774870162 585668232 /nfs/dbraw/zinc/66/82/32/585668232.db2.gz XHFOXQBDIOJRRD-LLVKDONJSA-N -1 3 248.326 2.566 20 0 BFADHM CCCC[C@@H](CCC)OC(=O)c1n[n-]nc1C ZINC000805548142 585681377 /nfs/dbraw/zinc/68/13/77/585681377.db2.gz QRHZNTVJLXGLCX-SNVBAGLBSA-N 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Cc1ccccc1CNc1cc(Cl)n[n-]c1=O ZINC000788864826 585931501 /nfs/dbraw/zinc/93/15/01/585931501.db2.gz DCJWQMXFZNYXKD-UHFFFAOYSA-N -1 3 249.701 2.756 20 0 BFADHM C/C=C(\CC)C(=O)Nc1ccc([O-])cc1F ZINC000789846845 585951599 /nfs/dbraw/zinc/95/15/99/585951599.db2.gz SNDAFWBZJYXNHM-FPYGCLRLSA-N -1 3 223.247 2.826 20 0 BFADHM Cc1ccc(OC(=O)c2csc(=O)[n-]2)c(C)c1 ZINC000792030739 585994054 /nfs/dbraw/zinc/99/40/54/585994054.db2.gz OHPRRQNEWQRYLY-UHFFFAOYSA-N -1 3 249.291 2.685 20 0 BFADHM O=C(OCCCCCF)c1c([O-])cccc1F ZINC000792151998 585996820 /nfs/dbraw/zinc/99/68/20/585996820.db2.gz UNKUMLMAKYKSRR-UHFFFAOYSA-N -1 3 244.237 2.828 20 0 BFADHM CCCC(C)(C)CC(=O)[N-]OCCSC ZINC000794179618 586034257 /nfs/dbraw/zinc/03/42/57/586034257.db2.gz DCEHHXFUHOHBCK-UHFFFAOYSA-N -1 3 233.377 2.614 20 0 BFADHM CSCCO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000794184582 586034478 /nfs/dbraw/zinc/03/44/78/586034478.db2.gz RZWJBSAKWGGQPO-JTQLQIEISA-N -1 3 247.404 2.860 20 0 BFADHM CCCC[C@H](C)C(=O)[N-]OC[C@@H](C)CC ZINC000794842514 586050501 /nfs/dbraw/zinc/05/05/01/586050501.db2.gz KMYAOLPGEQCHAG-QWRGUYRKSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC(C)(C)CC ZINC000794843272 586050645 /nfs/dbraw/zinc/05/06/45/586050645.db2.gz QFVUZAKWUGPODU-SNVBAGLBSA-N -1 3 215.337 2.907 20 0 BFADHM CCO[C@@H](CC(=O)[N-]OC[C@H](C)CC)C(C)C ZINC000794863516 586051973 /nfs/dbraw/zinc/05/19/73/586051973.db2.gz JCMFGCBXOQEPMP-NEPJUHHUSA-N -1 3 245.363 2.532 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)C1CC1 ZINC000794861805 586052142 /nfs/dbraw/zinc/05/21/42/586052142.db2.gz ABIZLMLEEIICKG-UWVGGRQHSA-N -1 3 213.321 2.517 20 0 BFADHM CC(F)(F)C(=O)[N-]CC(F)(F)c1ccccc1 ZINC000808466680 586474612 /nfs/dbraw/zinc/47/46/12/586474612.db2.gz MQCAJKPKLHMIEG-UHFFFAOYSA-N -1 3 249.207 2.550 20 0 BFADHM CC(C)=CCOC(=O)c1c([O-])cccc1F ZINC000808537753 586478725 /nfs/dbraw/zinc/47/87/25/586478725.db2.gz CSMHMNOQQBEYQB-UHFFFAOYSA-N -1 3 224.231 2.654 20 0 BFADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)cc1 ZINC000810141971 586535323 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CC(=O)c1ccc([O-])c(O[C@@H](C)C(F)(F)F)c1 ZINC001225994174 974757964 /nfs/dbraw/zinc/75/79/64/974757964.db2.gz LKWWWFMGRLMCSR-ZETCQYMHSA-N -1 3 248.200 2.924 20 0 BFADHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001225996537 974758678 /nfs/dbraw/zinc/75/86/78/974758678.db2.gz XQZBJRPCDYCFMO-ZSBIGDGJSA-N -1 3 232.279 2.772 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@@H](C)CCC(C)C ZINC001226070592 974774503 /nfs/dbraw/zinc/77/45/03/974774503.db2.gz BJWNHNIDJJUPBU-VIFPVBQESA-N -1 3 224.304 2.694 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001226070696 974774753 /nfs/dbraw/zinc/77/47/53/974774753.db2.gz CXVQFXNHIYIKNF-JZYVYDRUSA-N -1 3 236.315 2.694 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001226075613 974777074 /nfs/dbraw/zinc/77/70/74/974777074.db2.gz IYASJRBHOBZODM-JZYVYDRUSA-N -1 3 236.315 2.694 20 0 BFADHM Cc1cccc([C@H](C)Oc2nc[n-]c(=O)c2C)c1 ZINC001226077717 974779035 /nfs/dbraw/zinc/77/90/35/974779035.db2.gz VSYIPRIBWUNIOZ-NSHDSACASA-N -1 3 244.294 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[O-]c1cccc(OC2CCOCC2)c1Cl ZINC001226713108 975044382 /nfs/dbraw/zinc/04/43/82/975044382.db2.gz YYEYBQZXNUMWAB-UHFFFAOYSA-N -1 3 228.675 2.603 20 0 BFADHM Cc1nocc1[N-]c1nc(C)c(C)s1 ZINC001212717944 975118927 /nfs/dbraw/zinc/11/89/27/975118927.db2.gz WHXYQVVUVLGJCS-UHFFFAOYSA-N -1 3 209.274 2.800 20 0 BFADHM S=c1nccc(O[C@H]2CCc3ccccc32)[n-]1 ZINC001226937979 975164285 /nfs/dbraw/zinc/16/42/85/975164285.db2.gz VFKZQYCKXGTPRD-NSHDSACASA-N -1 3 244.319 2.832 20 0 BFADHM CCC[C@@H](Oc1cc(=O)[n-]cn1)[C@H](C)CC ZINC001226944734 975170512 /nfs/dbraw/zinc/17/05/12/975170512.db2.gz JCYOXTQUKQYLEK-NXEZZACHSA-N -1 3 224.304 2.776 20 0 BFADHM CC(C)C[C@@H](Oc1cc(=O)[n-]cn1)C(C)C ZINC001226945173 975174405 /nfs/dbraw/zinc/17/44/05/975174405.db2.gz QBJYTVLNYRAEMQ-SNVBAGLBSA-N -1 3 224.304 2.632 20 0 BFADHM CCC[C@@H]1CCCC[C@@H]1Oc1ccc(=O)[n-]n1 ZINC001227092846 975266600 /nfs/dbraw/zinc/26/66/00/975266600.db2.gz FBDFDEPGZLFQRW-MNOVXSKESA-N -1 3 236.315 2.920 20 0 BFADHM CCCC[C@H](CC)Oc1ccc(=O)[n-]n1 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CC[C@@H](C)[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228699206 976438578 /nfs/dbraw/zinc/43/85/78/976438578.db2.gz XBGORTKADXUCLL-ZJUUUORDSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@@H](C)[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228699206 976438583 /nfs/dbraw/zinc/43/85/83/976438583.db2.gz XBGORTKADXUCLL-ZJUUUORDSA-N -1 3 246.314 2.680 20 0 BFADHM CCCC[C@H](C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228695712 976439106 /nfs/dbraw/zinc/43/91/06/976439106.db2.gz PEALMJYYPFKHBF-JTQLQIEISA-N -1 3 246.314 2.824 20 0 BFADHM CCCC[C@H](C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228695712 976439111 /nfs/dbraw/zinc/43/91/11/976439111.db2.gz PEALMJYYPFKHBF-JTQLQIEISA-N -1 3 246.314 2.824 20 0 BFADHM CCCC[C@H](C)Oc1n[n-]c(-c2cccnc2)n1 ZINC001228695712 976439125 /nfs/dbraw/zinc/43/91/25/976439125.db2.gz PEALMJYYPFKHBF-JTQLQIEISA-N -1 3 246.314 2.824 20 0 BFADHM [O-]c1cc(Nc2cncc(F)c2)c(F)cc1F ZINC001174291276 976460329 /nfs/dbraw/zinc/46/03/29/976460329.db2.gz SZRRVMBWHQSORP-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM O=C1CCc2cc([O-])c(O[C@H]3C=CCC3)cc21 ZINC001228854347 976537218 /nfs/dbraw/zinc/53/72/18/976537218.db2.gz RJSJMBIOFLYSCN-JTQLQIEISA-N -1 3 230.263 2.619 20 0 BFADHM Cc1nnc([N-]c2ccc3ncsc3c2)o1 ZINC001174363514 976607559 /nfs/dbraw/zinc/60/75/59/976607559.db2.gz QKTCBUREOFPYCP-UHFFFAOYSA-N -1 3 232.268 2.731 20 0 BFADHM Cc1sccc1Nc1cc(=O)[n-]c(C)n1 ZINC001174459152 976747625 /nfs/dbraw/zinc/74/76/25/976747625.db2.gz ZHPMSWRFBNOERH-UHFFFAOYSA-N -1 3 221.285 2.604 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCCC2(CC2)C1 ZINC000695125103 976781767 /nfs/dbraw/zinc/78/17/67/976781767.db2.gz QZFPNAPIVVHBFF-UHFFFAOYSA-N -1 3 249.310 2.662 20 0 BFADHM COc1c(F)ccc(F)c1[N-]c1ncco1 ZINC001174660500 976951905 /nfs/dbraw/zinc/95/19/05/976951905.db2.gz NJIDWOLLMWOZHW-UHFFFAOYSA-N -1 3 226.182 2.705 20 0 BFADHM Cc1ncc(Nc2cccc(F)c2C)c(=O)[n-]1 ZINC001174666902 976960858 /nfs/dbraw/zinc/96/08/58/976960858.db2.gz ICBDAEMVYNMHCP-UHFFFAOYSA-N -1 3 233.246 2.682 20 0 BFADHM C=CNc1cc(Br)cc(F)c1[O-] ZINC001174786977 977018766 /nfs/dbraw/zinc/01/87/66/977018766.db2.gz LAXKGDVMTZUWOS-UHFFFAOYSA-N -1 3 232.052 2.849 20 0 BFADHM CC(C)C[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955676 977040119 /nfs/dbraw/zinc/04/01/19/977040119.db2.gz YJHQWAOQFRUMQE-JTQLQIEISA-N -1 3 246.314 2.680 20 0 BFADHM CC(C)C[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955676 977040132 /nfs/dbraw/zinc/04/01/32/977040132.db2.gz YJHQWAOQFRUMQE-JTQLQIEISA-N -1 3 246.314 2.680 20 0 BFADHM CCC[C@@H](CC)Oc1ccccc1-c1nnn[n-]1 ZINC001229955003 977041055 /nfs/dbraw/zinc/04/10/55/977041055.db2.gz QYCONCLFVBLFNO-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM CCC[C@@H](CC)Oc1ccccc1-c1nn[n-]n1 ZINC001229955003 977041063 /nfs/dbraw/zinc/04/10/63/977041063.db2.gz QYCONCLFVBLFNO-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM Cc1ccc(C)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175162531 977311418 /nfs/dbraw/zinc/31/14/18/977311418.db2.gz GLJVZVJXZVPATR-UHFFFAOYSA-N -1 3 247.323 2.831 20 0 BFADHM [O-]c1ccc(F)c(Nc2cnccc2F)c1F ZINC001175265623 977363623 /nfs/dbraw/zinc/36/36/23/977363623.db2.gz JEMRQCMQFSTLQU-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM CC(C)C[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074124 977459271 /nfs/dbraw/zinc/45/92/71/977459271.db2.gz QZWBNGVKJOFPDS-SNVBAGLBSA-N -1 3 246.314 2.680 20 0 BFADHM CC(C)C[C@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117755 977491933 /nfs/dbraw/zinc/49/19/33/977491933.db2.gz FZJYQOLHLOOYDB-JTQLQIEISA-N -1 3 246.314 2.680 20 0 BFADHM CC(C)C[C@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117755 977491952 /nfs/dbraw/zinc/49/19/52/977491952.db2.gz FZJYQOLHLOOYDB-JTQLQIEISA-N -1 3 246.314 2.680 20 0 BFADHM CCCOc1cccc([N-]c2nonc2OC)c1 ZINC001175599122 977522455 /nfs/dbraw/zinc/52/24/55/977522455.db2.gz ZHDYMFFSTWDWMS-UHFFFAOYSA-N -1 3 249.270 2.611 20 0 BFADHM Cc1nnc([N-]c2ccc3ccncc3c2)o1 ZINC001175701077 977626071 /nfs/dbraw/zinc/62/60/71/977626071.db2.gz HRTSDIKMDIUUPE-UHFFFAOYSA-N -1 3 226.239 2.670 20 0 BFADHM [O-]c1ccc(CN2CC=CC2)cc1C(F)(F)F ZINC001231524712 977630827 /nfs/dbraw/zinc/63/08/27/977630827.db2.gz VGTGCGFXBQYLTD-UHFFFAOYSA-N -1 3 243.228 2.783 20 0 BFADHM [O-]c1c(F)cc(Nc2cscn2)cc1F ZINC001175942986 977806547 /nfs/dbraw/zinc/80/65/47/977806547.db2.gz DCKXTHMHDAMXKA-UHFFFAOYSA-N -1 3 228.223 2.871 20 0 BFADHM Cc1ccc(Nc2cnc[n-]c2=O)c(F)c1F ZINC001176094827 977897773 /nfs/dbraw/zinc/89/77/73/977897773.db2.gz MAIHQAIDAGJRKQ-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM O=c1ccc(Nc2cc(F)c([O-])cc2F)c[nH]1 ZINC001176131671 977911456 /nfs/dbraw/zinc/91/14/56/977911456.db2.gz WPRFOGJAAHKOLA-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM O=C([N-]OC/C=C\Cl)C12CCC(CC1)CC2 ZINC001337236466 978238209 /nfs/dbraw/zinc/23/82/09/978238209.db2.gz LSWFXALOJCHSKN-QPIMQUGISA-N -1 3 243.734 2.757 20 0 BFADHM CCN(CC)Cc1ccc(F)c([O-])c1F ZINC001232934360 978342499 /nfs/dbraw/zinc/34/24/99/978342499.db2.gz ZJMNMMGGBXYCPR-UHFFFAOYSA-N -1 3 215.243 2.512 20 0 BFADHM CN(Cc1cccnc1)Cc1cccc([O-])c1F ZINC001233048602 978437790 /nfs/dbraw/zinc/43/77/90/978437790.db2.gz HESVFFBQGRIZBN-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM [O-]c1coc2ccc(OC3CCCC3)cc12 ZINC001233678631 978673199 /nfs/dbraw/zinc/67/31/99/978673199.db2.gz WAYKZVZSNGGMFG-UHFFFAOYSA-N -1 3 218.252 2.583 20 0 BFADHM Cc1cc(CNC(C)(C)CF)ccc1C(=O)[O-] ZINC001600204103 978678175 /nfs/dbraw/zinc/67/81/75/978678175.db2.gz CJLFIJARPXPBHV-UHFFFAOYSA-N -1 3 239.290 2.531 20 0 BFADHM [O-]c1cccc(OC2CCSCC2)c1F ZINC001233868980 978716926 /nfs/dbraw/zinc/71/69/26/978716926.db2.gz ZFVJEYXHSGRGBV-UHFFFAOYSA-N -1 3 228.288 2.806 20 0 BFADHM C[C@H](Oc1cccc([O-])c1F)C1CCOCC1 ZINC001233867864 978718268 /nfs/dbraw/zinc/71/82/68/978718268.db2.gz JYEOQACQGGVHLC-VIFPVBQESA-N -1 3 240.274 2.725 20 0 BFADHM O=C([N-]OC1CCC1)C12CCC(CC1)CC2 ZINC001339029826 978774241 /nfs/dbraw/zinc/77/42/41/978774241.db2.gz OWEOBAXIEXXDAS-UHFFFAOYSA-N -1 3 223.316 2.557 20 0 BFADHM CC[C@H](COC)Oc1c(Cl)ccc([O-])c1F ZINC001234264778 978807990 /nfs/dbraw/zinc/80/79/90/978807990.db2.gz SKRSECLIIBUEGX-SSDOTTSWSA-N -1 3 248.681 2.989 20 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CCn1cccc(-c2c(F)ccc(C)c2[O-])c1=O ZINC001236405982 979584204 /nfs/dbraw/zinc/58/42/04/979584204.db2.gz NHHPOIZAUGWBBM-UHFFFAOYSA-N -1 3 247.269 2.688 20 0 BFADHM COc1ccncc1-c1c(F)ccc(C)c1[O-] ZINC001236403216 979585001 /nfs/dbraw/zinc/58/50/01/979585001.db2.gz QJYWDZXEZFCBBJ-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM CN(Cc1cccnc1)Cc1ccc(F)c([O-])c1 ZINC001236704155 979696373 /nfs/dbraw/zinc/69/63/73/979696373.db2.gz SNECHRUTTAZHOA-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM [O-]c1cc(CN2CCCC[C@@H](F)C2)ccc1F ZINC001236701022 979697661 /nfs/dbraw/zinc/69/76/61/979697661.db2.gz AKUSQRWKWMQWGA-LLVKDONJSA-N -1 3 241.281 2.855 20 0 BFADHM C[C@@H]1CCN(Cc2ccc(F)c([O-])c2)C[C@H]1F ZINC001236704664 979699333 /nfs/dbraw/zinc/69/93/33/979699333.db2.gz XSSXVUNEUYJHAB-BXKDBHETSA-N -1 3 241.281 2.711 20 0 BFADHM [O-]c1cc(CN2CCc3occc3C2)ccc1F ZINC001236712065 979705624 /nfs/dbraw/zinc/70/56/24/979705624.db2.gz ZBZGLDFGAIBSOU-UHFFFAOYSA-N -1 3 247.269 2.683 20 0 BFADHM [O-]c1ccc(Cl)c(C[C@@H]2CCCO2)c1F ZINC001250104935 979762159 /nfs/dbraw/zinc/76/21/59/979762159.db2.gz MYGFQULAAQSQNL-ZETCQYMHSA-N -1 3 230.666 2.906 20 0 BFADHM CCCCOC1CN(Cc2occc2[S-])C1 ZINC001237179919 979828129 /nfs/dbraw/zinc/82/81/29/979828129.db2.gz TZTHZNJOZYQQTG-UHFFFAOYSA-N -1 3 241.356 2.569 20 0 BFADHM C[C@@H]1CCN(Cc2cc([O-])cc(F)c2)C[C@H]1F ZINC001237277577 979860278 /nfs/dbraw/zinc/86/02/78/979860278.db2.gz OLKVRJTVASENOU-NOZJJQNGSA-N -1 3 241.281 2.711 20 0 BFADHM O=C(Nc1ccc(F)c([O-])c1)C1(C2CC2)CC1 ZINC001183801145 979887862 /nfs/dbraw/zinc/88/78/62/979887862.db2.gz AGXHISLFIYFDGM-UHFFFAOYSA-N -1 3 235.258 2.660 20 0 BFADHM CCc1ccc(NC(=O)C(=O)[C@H](C)CC)c([O-])c1 ZINC001184321717 980020139 /nfs/dbraw/zinc/02/01/39/980020139.db2.gz JVUHCAHKWQYFHC-SECBINFHSA-N -1 3 249.310 2.508 20 0 BFADHM CC1(C)CC[C@H](C(=O)Nc2cncc([O-])c2)C1 ZINC001185155341 980194619 /nfs/dbraw/zinc/19/46/19/980194619.db2.gz ANHOIWAGEMRFER-VIFPVBQESA-N -1 3 234.299 2.552 20 0 BFADHM CC[C@H](C)CCC(=O)Nc1cncc([O-])c1 ZINC001185563192 980244937 /nfs/dbraw/zinc/24/49/37/980244937.db2.gz PISKXMJIQQOLIZ-VIFPVBQESA-N -1 3 222.288 2.552 20 0 BFADHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccccc1 ZINC001239468420 980598587 /nfs/dbraw/zinc/59/85/87/980598587.db2.gz QYVWLCMYUSVHJR-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccccc1 ZINC001239468420 980598604 /nfs/dbraw/zinc/59/86/04/980598604.db2.gz QYVWLCMYUSVHJR-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccc[nH]1 ZINC001188574393 980670608 /nfs/dbraw/zinc/67/06/08/980670608.db2.gz UJYBICYZDPIDHH-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM Fc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001239536143 980712695 /nfs/dbraw/zinc/71/26/95/980712695.db2.gz FEDFDPDSPNOHHU-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001239536143 980712696 /nfs/dbraw/zinc/71/26/96/980712696.db2.gz FEDFDPDSPNOHHU-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1ccccc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001239555591 980736520 /nfs/dbraw/zinc/73/65/20/980736520.db2.gz ZSFYJZMCQMMRQA-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1ccccc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001239555591 980736526 /nfs/dbraw/zinc/73/65/26/980736526.db2.gz ZSFYJZMCQMMRQA-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM CC(C)(C)OC(=O)CCc1c([O-])cccc1F ZINC001250330805 980793391 /nfs/dbraw/zinc/79/33/91/980793391.db2.gz CNZJTXGEUBPVCO-UHFFFAOYSA-N -1 3 240.274 2.806 20 0 BFADHM CCCCNC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001190623106 980890150 /nfs/dbraw/zinc/89/01/50/980890150.db2.gz IBBNBRXQWWWUJG-UHFFFAOYSA-N -1 3 242.706 2.967 20 0 BFADHM O=C(Nc1ccc([O-])c(F)c1)Nc1ccccn1 ZINC001191333418 981021030 /nfs/dbraw/zinc/02/10/30/981021030.db2.gz OLHXORHAZGHIGC-UHFFFAOYSA-N -1 3 247.229 2.570 20 0 BFADHM Cc1noc(C)c1C(=O)[N-]c1cnoc1C(C)C ZINC001347306461 981041816 /nfs/dbraw/zinc/04/18/16/981041816.db2.gz IFFJMSQDVLKGKK-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM [O-]c1cc(F)cc(-c2cccnc2F)c1 ZINC001250483767 981183932 /nfs/dbraw/zinc/18/39/32/981183932.db2.gz TVRHYZNMNPZQGP-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1ccc(-c2ccc(F)c([O-])c2)cn1 ZINC001250531742 981404581 /nfs/dbraw/zinc/40/45/81/981404581.db2.gz ZASJYMQLKRKIGJ-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM Cc1cc(O)cc([O-])c1C(=O)Nc1ccsc1 ZINC001193912466 981511727 /nfs/dbraw/zinc/51/17/27/981511727.db2.gz UOXMTUHUPSXMDN-UHFFFAOYSA-N -1 3 249.291 2.720 20 0 BFADHM CC(C)=Cc1ccc(-c2nnn[n-]2)cc1C ZINC001240638635 981531919 /nfs/dbraw/zinc/53/19/19/981531919.db2.gz AQIBIXBJBZFVQP-UHFFFAOYSA-N -1 3 214.272 2.598 20 0 BFADHM CC(C)=Cc1ccc(-c2nn[n-]n2)cc1C ZINC001240638635 981531922 /nfs/dbraw/zinc/53/19/22/981531922.db2.gz AQIBIXBJBZFVQP-UHFFFAOYSA-N -1 3 214.272 2.598 20 0 BFADHM CC1=CC(=O)CN=C1[N-]C(=O)Oc1ccccc1 ZINC001194214576 981602406 /nfs/dbraw/zinc/60/24/06/981602406.db2.gz IQOBELUYNXTZDP-UHFFFAOYSA-N -1 3 244.250 2.707 20 0 BFADHM [O-]c1ccc(-c2cc(F)ccn2)cc1F ZINC001240782692 981818385 /nfs/dbraw/zinc/81/83/85/981818385.db2.gz DIYCLRFFRJVTSI-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1cnc(-c2ccc([O-])c(F)c2)c(C)c1 ZINC001240782223 981820101 /nfs/dbraw/zinc/82/01/01/981820101.db2.gz UXTDIMZTERLJNW-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1ccc(-c2ccc3nccnc3n2)cc1F ZINC001240783169 981822311 /nfs/dbraw/zinc/82/23/11/981822311.db2.gz NIZBGUDYMWHFIB-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1ccc(-c2ccc3c(n2)COC3)cc1F ZINC001240783002 981823432 /nfs/dbraw/zinc/82/34/32/981823432.db2.gz MPMCPBMDBZROSR-UHFFFAOYSA-N -1 3 231.226 2.624 20 0 BFADHM [O-]c1ccc(-c2cccn3ccnc23)cc1F ZINC001240785523 981825576 /nfs/dbraw/zinc/82/55/76/981825576.db2.gz CSFONBCXPDVISQ-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM Cc1cn2cc(-c3ccc([O-])c(F)c3)cnc2n1 ZINC001240785513 981825959 /nfs/dbraw/zinc/82/59/59/981825959.db2.gz CHWNRQRLBGKGOD-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM CC(C)n1cc(-c2ccc([O-])c(F)c2)cn1 ZINC001240785834 981828745 /nfs/dbraw/zinc/82/87/45/981828745.db2.gz GLBUIEKDGREBDY-UHFFFAOYSA-N -1 3 220.247 2.976 20 0 BFADHM [O-]c1ccc(-c2cnc(F)c(F)c2)cc1F ZINC001240785627 981828897 /nfs/dbraw/zinc/82/88/97/981828897.db2.gz JXBKFGSTUUBARB-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM COc1cnc(-c2ccc([O-])c(F)c2)cc1C ZINC001240786437 981828997 /nfs/dbraw/zinc/82/89/97/981828997.db2.gz STERLVJGBPWKOZ-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1nc(C)nc(-c2ccc([O-])c(F)c2)c1C ZINC001240786183 981829658 /nfs/dbraw/zinc/82/96/58/981829658.db2.gz PJIYMBPLFOIBMI-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM NC(=O)c1ccccc1-c1c([O-])cccc1Cl ZINC001250610114 981999909 /nfs/dbraw/zinc/99/99/09/981999909.db2.gz WNEMMVLTVNUQRC-UHFFFAOYSA-N -1 3 247.681 2.812 20 0 BFADHM CC[C@@H](C)OC(=O)Nc1ccc([O-])c(F)c1 ZINC001195114601 982093133 /nfs/dbraw/zinc/09/31/33/982093133.db2.gz GBKQOARRSIWAMG-SSDOTTSWSA-N -1 3 227.235 2.878 20 0 BFADHM CCO/C=C\c1nccnc1-c1ccccc1[O-] ZINC001241008894 982099858 /nfs/dbraw/zinc/09/98/58/982099858.db2.gz WSKKPQXAAKFQCE-YFHOEESVSA-N -1 3 242.278 2.856 20 0 BFADHM Cc1ccc(-c2nc(C)ncc2F)c([O-])c1 ZINC001241028376 982125324 /nfs/dbraw/zinc/12/53/24/982125324.db2.gz MSMORKBUJZVKIF-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1ccc(-c2ncnc(C)c2F)c([O-])c1 ZINC001241030365 982126175 /nfs/dbraw/zinc/12/61/75/982126175.db2.gz ISVWVXKLFZVMAG-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1ccc(-c2ncnc3ccn(C)c32)c([O-])c1 ZINC001241030761 982127627 /nfs/dbraw/zinc/12/76/27/982127627.db2.gz RECDYNBAJPOIEB-UHFFFAOYSA-N -1 3 239.278 2.649 20 0 BFADHM [O-]c1cc(F)cc(-c2cc(F)ccn2)c1 ZINC001241258206 982393970 /nfs/dbraw/zinc/39/39/70/982393970.db2.gz VZEIJOSAYPAYOL-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM [O-]c1cc(F)cc(-c2ncnc3cccnc32)c1 ZINC001241257225 982394439 /nfs/dbraw/zinc/39/44/39/982394439.db2.gz IBABWCCRZJRRHN-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM CSc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241262741 982400230 /nfs/dbraw/zinc/40/02/30/982400230.db2.gz RYTDWDQMPOEGOH-UHFFFAOYSA-N -1 3 236.271 2.710 20 0 BFADHM CC(C)n1cc(-c2cc([O-])cc(F)c2)cn1 ZINC001241266082 982400499 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ISMSFVCMHBCGEH-UHFFFAOYSA-N -1 3 235.327 2.638 20 0 BFADHM C[C@H](N[C@@H]1C[C@H]1C1CCC1)c1cc(C(=O)[O-])co1 ZINC001593354609 994995989 /nfs/dbraw/zinc/99/59/89/994995989.db2.gz UXIHQNMNNVGGJK-KPXOXKRLSA-N -1 3 249.310 2.817 20 0 BFADHM C[C@@H](CN(C)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000062015349 349436598 /nfs/dbraw/zinc/43/65/98/349436598.db2.gz XZZQWRVFKBZISP-UWVGGRQHSA-N -1 3 239.290 2.539 20 0 BFADHM Cc1cc(F)cc(NC(=O)[N-]OCC2CC2)c1 ZINC000292817995 178077786 /nfs/dbraw/zinc/07/77/86/178077786.db2.gz XQSDKKMIEZOCKI-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cc(F)ccc1NC(=O)[N-]OCC(C)C ZINC000158324305 178088718 /nfs/dbraw/zinc/08/87/18/178088718.db2.gz GMUKQWCDASACMP-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM O=c1[n-]c([C@H]2CCCCS2)nc2cccnc21 ZINC000491763036 538921912 /nfs/dbraw/zinc/92/19/12/538921912.db2.gz QQLKPCQIPYEMLD-SECBINFHSA-N -1 3 247.323 2.689 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000175424296 365552028 /nfs/dbraw/zinc/55/20/28/365552028.db2.gz 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VIYFUJHOQZRDBM-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000334246544 178396301 /nfs/dbraw/zinc/39/63/01/178396301.db2.gz ILAHVERBPSCELT-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C)C2)c([O-])c1C ZINC000267819300 178397901 /nfs/dbraw/zinc/39/79/01/178397901.db2.gz HOJOZYZEDFWLBU-GHMZBOCLSA-N -1 3 247.338 2.737 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1 ZINC000019837479 178389778 /nfs/dbraw/zinc/38/97/78/178389778.db2.gz VNIRYRTVSXXFRB-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccc(C(=O)NCc2ccco2)c([O-])c1C ZINC000048369341 178416702 /nfs/dbraw/zinc/41/67/02/178416702.db2.gz VKQUTIWKQASMOR-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693016 344002032 /nfs/dbraw/zinc/00/20/32/344002032.db2.gz QIFVNNOWBOQNFT-XPUUQOCRSA-N -1 3 225.675 2.640 20 0 BFADHM CCC(CC)NC(=O)c1cc(C)ccc1[O-] ZINC000019837261 168384485 /nfs/dbraw/zinc/38/44/85/168384485.db2.gz XHRULHNTFYLYFN-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1(C)CCCC1 ZINC000624632988 342804395 /nfs/dbraw/zinc/80/43/95/342804395.db2.gz XTVIBVPFBRGTJY-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CC[C@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000624983949 342840502 /nfs/dbraw/zinc/84/05/02/342840502.db2.gz VMHQJGLYVFAEMM-JTQLQIEISA-N -1 3 221.300 2.571 20 0 BFADHM Cc1[n-]n(Cc2ccc(C)cc2)c(=O)c1C1CC1 ZINC000634589453 342935716 /nfs/dbraw/zinc/93/57/16/342935716.db2.gz YXRHVVIIKJIAHU-AWEZNQCLSA-N -1 3 242.322 2.739 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C1CC1 ZINC000625247777 342937647 /nfs/dbraw/zinc/93/76/47/342937647.db2.gz PFHCYOYWINTHLR-GFCCVEGCSA-N -1 3 245.322 2.715 20 0 BFADHM C[C@H]1CCc2[n-]n(C3CCCCC3)c(=O)c21 ZINC000634593916 342953243 /nfs/dbraw/zinc/95/32/43/342953243.db2.gz DNOVBHJILQJRCY-CABZTGNLSA-N -1 3 220.316 2.563 20 0 BFADHM CCc1cc(C(=O)N2C[C@H](C)C[C@H]2C)ccc1[O-] ZINC000486413577 529515583 /nfs/dbraw/zinc/51/55/83/529515583.db2.gz BTLJPQRHFVVYCN-GHMZBOCLSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(CC2CC2)C(C)C)c1 ZINC000048185930 342958209 /nfs/dbraw/zinc/95/82/09/342958209.db2.gz QHWQHCVBEMBHSA-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM CCCCN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000019838898 342959442 /nfs/dbraw/zinc/95/94/42/342959442.db2.gz AQEATJIPNAAAAA-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000019840066 342959573 /nfs/dbraw/zinc/95/95/73/342959573.db2.gz PPZCHIZYCZGNSC-TXEJJXNPSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000019840029 342959606 /nfs/dbraw/zinc/95/96/06/342959606.db2.gz XYBDIMQUQHGLFH-VXGBXAGGSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042435327 342996710 /nfs/dbraw/zinc/99/67/10/342996710.db2.gz YIYYNRKRDPDWIQ-NXEZZACHSA-N -1 3 221.300 2.557 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042435349 342996802 /nfs/dbraw/zinc/99/68/02/342996802.db2.gz KPCBSVCFHIKQRQ-WDEREUQCSA-N -1 3 235.327 2.865 20 0 BFADHM CCc1[n-]n(-c2ccncc2C)c(=O)c1C(C)C ZINC000634606272 343001750 /nfs/dbraw/zinc/00/17/50/343001750.db2.gz MKJSNDVIMJMJBA-ZDUSSCGKSA-N -1 3 245.326 2.775 20 0 BFADHM CC(C)c1c(-c2ccccc2)[n-]n(C2CC2)c1=O ZINC000634618268 343016349 /nfs/dbraw/zinc/01/63/49/343016349.db2.gz LLWFIMDOTNLZOC-CYBMUJFWSA-N -1 3 242.322 2.668 20 0 BFADHM CCc1[n-]n(-c2ccnc(C)c2)c(=O)c1C(C)C ZINC000634619262 343018360 /nfs/dbraw/zinc/01/83/60/343018360.db2.gz UAFBKUDXINQVMQ-ZDUSSCGKSA-N -1 3 245.326 2.775 20 0 BFADHM CCc1[n-]n([C@H](C)CC)c(=O)c1C(C)C ZINC000634624012 343024591 /nfs/dbraw/zinc/02/45/91/343024591.db2.gz VUTZBBOUDWJRAG-KOLCDFICSA-N -1 3 210.321 2.665 20 0 BFADHM Cc1ccc(CNC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000235768763 343058551 /nfs/dbraw/zinc/05/85/51/343058551.db2.gz ANVWLLQOBZWYLA-UHFFFAOYSA-N -1 3 241.718 2.601 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000334246553 187230014 /nfs/dbraw/zinc/23/00/14/187230014.db2.gz ILAHVERBPSCELT-YPMHNXCESA-N -1 3 245.322 2.715 20 0 BFADHM CC[C@H]1CCCN(c2ccncc2C(=O)[O-])CC1 ZINC000126236044 343169829 /nfs/dbraw/zinc/16/98/29/343169829.db2.gz KOMJIRURXDXWHM-NSHDSACASA-N -1 3 248.326 2.796 20 0 BFADHM CCCCN(CC)Cc1cc(C(=O)[O-])co1 ZINC000051330248 343255632 /nfs/dbraw/zinc/25/56/32/343255632.db2.gz JSNOJGVPALFXNS-UHFFFAOYSA-N -1 3 225.288 2.600 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000035239161 343290924 /nfs/dbraw/zinc/29/09/24/343290924.db2.gz ZOJMLFROGHDHMN-NSHDSACASA-N -1 3 235.327 2.817 20 0 BFADHM CC(C)CC(=O)Nc1ccc([O-])cc1F ZINC000070333178 343325423 /nfs/dbraw/zinc/32/54/23/343325423.db2.gz KOUIHEDEEVZPBG-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM Cc1ccc(C(=O)N2CC(C)=C[C@@H](C)C2)c([O-])c1 ZINC000335701783 136334590 /nfs/dbraw/zinc/33/45/90/136334590.db2.gz LFJGSNFLVAEMLR-LLVKDONJSA-N -1 3 245.322 2.739 20 0 BFADHM Cc1cccc(C(=O)N2CC(C)=C[C@@H](C)C2)c1[O-] ZINC000335709079 136336767 /nfs/dbraw/zinc/33/67/67/136336767.db2.gz JERAPPDANGNUNG-SNVBAGLBSA-N -1 3 245.322 2.739 20 0 BFADHM CCC1CCN(C(=O)c2cccc(C)c2[O-])CC1 ZINC000042355874 343435008 /nfs/dbraw/zinc/43/50/08/343435008.db2.gz GBROLYROMYSJIK-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CN(CCCCC(=O)[O-])Cc1ccccc1F ZINC000042436815 343437741 /nfs/dbraw/zinc/43/77/41/343437741.db2.gz LCVKSFLVVANOQX-UHFFFAOYSA-N -1 3 239.290 2.512 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000185917333 343472976 /nfs/dbraw/zinc/47/29/76/343472976.db2.gz SOBDUVSATZSDNC-MNOVXSKESA-N -1 3 233.311 2.931 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC[C@H]2C)c([O-])c1 ZINC000620210704 343720138 /nfs/dbraw/zinc/72/01/38/343720138.db2.gz CLECJSCVFKRZBY-SNVBAGLBSA-N -1 3 233.311 2.750 20 0 BFADHM Fc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC000236165998 343795368 /nfs/dbraw/zinc/79/53/68/343795368.db2.gz YNRLTVYCERJSPF-UHFFFAOYSA-N -1 3 224.235 2.711 20 0 BFADHM CCN(CC1CC1)C(=O)c1c(C)cccc1[O-] ZINC000625502876 343897676 /nfs/dbraw/zinc/89/76/76/343897676.db2.gz BGQXYVBGRAXZLL-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000625786938 344074052 /nfs/dbraw/zinc/07/40/52/344074052.db2.gz RMDWMFYDYMXTRS-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000625786943 344074675 /nfs/dbraw/zinc/07/46/75/344074675.db2.gz RMDWMFYDYMXTRS-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM CCN(C(=O)c1c(C)cccc1[O-])C1CCC1 ZINC000625729174 344060763 /nfs/dbraw/zinc/06/07/63/344060763.db2.gz ZTKCIEMQCMMURK-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CC1(C)CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000094330178 344328190 /nfs/dbraw/zinc/32/81/90/344328190.db2.gz COCPAZMHHKDDOD-GFCCVEGCSA-N -1 3 233.311 2.701 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@@H]2C[C@H]2C)n1 ZINC000600621790 344341619 /nfs/dbraw/zinc/34/16/19/344341619.db2.gz KGLOXMKDSKZHQD-BDAKNGLRSA-N -1 3 238.356 2.634 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)CC[C@H]1C ZINC000626077081 344723681 /nfs/dbraw/zinc/72/36/81/344723681.db2.gz CNTWCKJCLOXSFN-GHMZBOCLSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CCC(C)(C)C)n1 ZINC000330855703 178801072 /nfs/dbraw/zinc/80/10/72/178801072.db2.gz YSTHZGBLDGUEAX-UHFFFAOYSA-N -1 3 236.315 2.860 20 0 BFADHM Cc1cccc(-c2nc(C3(C)CC3)no2)c1[O-] ZINC000156476639 345163999 /nfs/dbraw/zinc/16/39/99/345163999.db2.gz RXNWDMNCXKHDND-UHFFFAOYSA-N -1 3 230.267 2.802 20 0 BFADHM CCc1cccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000092599563 345640651 /nfs/dbraw/zinc/64/06/51/345640651.db2.gz CHPZZXFGAVXBTQ-QWRGUYRKSA-N -1 3 247.338 2.968 20 0 BFADHM CCc1cccc(C(=O)N2[C@H](C)CC[C@@H]2C)c1[O-] ZINC000092599560 345640832 /nfs/dbraw/zinc/64/08/32/345640832.db2.gz CHPZZXFGAVXBTQ-PHIMTYICSA-N -1 3 247.338 2.968 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(F)c2)n1 ZINC000167785228 345723057 /nfs/dbraw/zinc/72/30/57/345723057.db2.gz CNCYRSSQBBBXOY-HWKANZROSA-N -1 3 248.232 2.939 20 0 BFADHM CCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000141349873 345842483 /nfs/dbraw/zinc/84/24/83/345842483.db2.gz JWXREXHMAPGLPW-UHFFFAOYSA-N -1 3 207.273 2.767 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)CC ZINC000563277431 323107516 /nfs/dbraw/zinc/10/75/16/323107516.db2.gz ICBVVTFONBJWEL-VIFPVBQESA-N -1 3 239.315 2.771 20 0 BFADHM Cc1cccc(C(=O)N2CCCC[C@@H](C)C2)c1[O-] ZINC000186450376 179006657 /nfs/dbraw/zinc/00/66/57/179006657.db2.gz KGZDTRPDFBFSLO-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(C(=O)N2CCC(C)(C)C2)c1[O-] ZINC000091438898 179006666 /nfs/dbraw/zinc/00/66/66/179006666.db2.gz WLFHDIIDCRZUGY-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)CC[C@H]2C)c1[O-] ZINC000088707571 179012985 /nfs/dbraw/zinc/01/29/85/179012985.db2.gz ACTPDIAGMOHJFB-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(NC([O-])=NOCC(C)C)c1F ZINC000271789965 179134679 /nfs/dbraw/zinc/13/46/79/179134679.db2.gz ACKCAQVLYWPBDO-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM Cc1cccc(NC(=O)[N-]OCC(C)C)c1F ZINC000271789965 179134680 /nfs/dbraw/zinc/13/46/80/179134680.db2.gz ACKCAQVLYWPBDO-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM CC(C)(NCc1ncccc1[O-])c1cccs1 ZINC000580636534 365835336 /nfs/dbraw/zinc/83/53/36/365835336.db2.gz XIASDGCLRLSIOA-UHFFFAOYSA-N -1 3 248.351 2.874 20 0 BFADHM Cc1cccc([O-])c1NC(=O)COC1CCCC1 ZINC000272554770 179160221 /nfs/dbraw/zinc/16/02/21/179160221.db2.gz SYWRPPRSGGOGDZ-UHFFFAOYSA-N -1 3 249.310 2.598 20 0 BFADHM Cc1noc(C)c1C(=O)Nc1c(C)cccc1[O-] ZINC000336235080 179160935 /nfs/dbraw/zinc/16/09/35/179160935.db2.gz OSRFIKGJARJMPY-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CC(C)C ZINC000271325987 179161163 /nfs/dbraw/zinc/16/11/63/179161163.db2.gz KYDVOFURGFIBCT-UHFFFAOYSA-N -1 3 207.273 2.685 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCC(C)(C)F)c1 ZINC000618404449 347322454 /nfs/dbraw/zinc/32/24/54/347322454.db2.gz HYCJLQZJDNUPKR-UHFFFAOYSA-N -1 3 239.290 2.569 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)[C@@H]1CC1(F)F ZINC000616939975 347505397 /nfs/dbraw/zinc/50/53/97/347505397.db2.gz QVIQPTRUKWAPMQ-LURJTMIESA-N -1 3 247.628 2.639 20 0 BFADHM O=c1[n-]c(-c2ccccn2)nc2cccc(F)c21 ZINC000591726313 347688920 /nfs/dbraw/zinc/68/89/20/347688920.db2.gz ITZGCUZCMVLGAE-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM Cc1ccccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000175757994 179278730 /nfs/dbraw/zinc/27/87/30/179278730.db2.gz KHDMRNTVXIFEIN-UHFFFAOYSA-N -1 3 249.207 2.512 20 0 BFADHM Cc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271826218 179300202 /nfs/dbraw/zinc/30/02/02/179300202.db2.gz QVOJPJZWFNZRIZ-UHFFFAOYSA-N -1 3 234.299 2.991 20 0 BFADHM Cc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271826218 179300203 /nfs/dbraw/zinc/30/02/03/179300203.db2.gz QVOJPJZWFNZRIZ-UHFFFAOYSA-N -1 3 234.299 2.991 20 0 BFADHM Cc1c2ccccc2c(=O)[n-]c1C(=O)OC(C)C ZINC000594597413 348073737 /nfs/dbraw/zinc/07/37/37/348073737.db2.gz JPPRFMDJASZPDI-UHFFFAOYSA-N -1 3 245.278 2.814 20 0 BFADHM Cc1cccnc1C(=O)Nc1c(C)cccc1[O-] ZINC000336586133 179366750 /nfs/dbraw/zinc/36/67/50/179366750.db2.gz VRZCUSXUPNLPGF-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)c1ccsc1 ZINC000082879344 348917963 /nfs/dbraw/zinc/91/79/63/348917963.db2.gz YEDVPTANJHAICS-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM CCC[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000082879356 348918517 /nfs/dbraw/zinc/91/85/17/348918517.db2.gz BXTOFWOOWAJEII-QMMMGPOBSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC000251611071 349189611 /nfs/dbraw/zinc/18/96/11/349189611.db2.gz CCMZHXYVTVEYBL-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000035207599 358455606 /nfs/dbraw/zinc/45/56/06/358455606.db2.gz SMEGTCACOZBDMN-JTQLQIEISA-N -1 3 233.311 2.571 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@@H]1CCC[C@H](C)C1 ZINC000605076630 350249026 /nfs/dbraw/zinc/24/90/26/350249026.db2.gz QCEBBLKXLRXBHV-DTWKUNHWSA-N -1 3 241.360 2.674 20 0 BFADHM CCCCCC(=O)[N-]OCc1ccccc1 ZINC000041979069 168639645 /nfs/dbraw/zinc/63/96/45/168639645.db2.gz XWZWYZBQIJMERQ-UHFFFAOYSA-N -1 3 221.300 2.815 20 0 BFADHM CC1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000232782832 350666969 /nfs/dbraw/zinc/66/69/69/350666969.db2.gz VSRGZDXUTPWKGS-JTQLQIEISA-N -1 3 239.702 2.574 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000626320877 350967090 /nfs/dbraw/zinc/96/70/90/350967090.db2.gz LMZHYDSSSWLPOC-JQWIXIFHSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C2CC2)C1 ZINC000626311724 350956173 /nfs/dbraw/zinc/95/61/73/350956173.db2.gz PFGDUZDULDQQJZ-LBPRGKRZSA-N -1 3 245.322 2.573 20 0 BFADHM CC[C@@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000264630905 351249106 /nfs/dbraw/zinc/24/91/06/351249106.db2.gz OLVANWALXMJTHO-SNVBAGLBSA-N -1 3 234.255 2.540 20 0 BFADHM CCCC[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000282799775 351944341 /nfs/dbraw/zinc/94/43/41/351944341.db2.gz RVECPZDYBUUFKM-VIFPVBQESA-N -1 3 222.288 2.552 20 0 BFADHM Cc1cccc(C(=O)N2CC(C3CCC3)C2)c1[O-] ZINC000334176097 352760944 /nfs/dbraw/zinc/76/09/44/352760944.db2.gz CWXSRBOXXMWLQC-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)C[C@H]2C)n1 ZINC000412044645 191252471 /nfs/dbraw/zinc/25/24/71/191252471.db2.gz OZJRLPOUYZZOTD-GHMZBOCLSA-N -1 3 249.358 2.672 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000334245407 352835553 /nfs/dbraw/zinc/83/55/53/352835553.db2.gz SUDJVIUTUGOYTA-LURJTMIESA-N -1 3 233.189 2.529 20 0 BFADHM C[C@@H]1CC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000334293635 352930625 /nfs/dbraw/zinc/93/06/25/352930625.db2.gz QSTVRKRFVXUTAE-RKDXNWHRSA-N -1 3 237.274 2.906 20 0 BFADHM CC(C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000334268038 352903632 /nfs/dbraw/zinc/90/36/32/352903632.db2.gz BUANFHIPUVJRHA-UHFFFAOYSA-N -1 3 247.338 2.751 20 0 BFADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000185622188 188000005 /nfs/dbraw/zinc/00/00/05/188000005.db2.gz CUTHOKGDSOIQEY-UWVGGRQHSA-N -1 3 237.274 2.762 20 0 BFADHM O=C(CC1CCC1)Nc1cc(F)ccc1[O-] ZINC000267387967 188022410 /nfs/dbraw/zinc/02/24/10/188022410.db2.gz WHUNISUFIVTQOF-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM COc1ccc(NC(=O)C2=CCCCC2)c([O-])c1 ZINC000135453584 538115395 /nfs/dbraw/zinc/11/53/95/538115395.db2.gz ZLFXPVFKFOIPAU-UHFFFAOYSA-N -1 3 247.294 2.840 20 0 BFADHM COc1ccc(NC(=O)c2occc2C)c([O-])c1 ZINC000135423227 538115427 /nfs/dbraw/zinc/11/54/27/538115427.db2.gz BDUKCNXXRQKHGD-UHFFFAOYSA-N -1 3 247.250 2.555 20 0 BFADHM Cc1ccc(C)c(CC(=O)[N-]OCC(C)C)c1 ZINC000135336642 188332027 /nfs/dbraw/zinc/33/20/27/188332027.db2.gz CMERNCFTTKAJLZ-UHFFFAOYSA-N -1 3 235.327 2.550 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1ccc2c(c1)CCC2 ZINC000158299482 188333533 /nfs/dbraw/zinc/33/35/33/188333533.db2.gz MEEKWEQRFDBPIP-UHFFFAOYSA-N -1 3 248.326 2.884 20 0 BFADHM CC[C@H]1CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000294118457 188392082 /nfs/dbraw/zinc/39/20/82/188392082.db2.gz SQWYDHOAERLJAV-NSHDSACASA-N -1 3 233.311 2.634 20 0 BFADHM CC[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000037915249 358480072 /nfs/dbraw/zinc/48/00/72/358480072.db2.gz SJBXPXAWISZUHG-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM CC1=C[C@H](C)CN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000334596706 354230597 /nfs/dbraw/zinc/23/05/97/354230597.db2.gz SQATXYGRVQLXNS-NSHDSACASA-N -1 3 245.322 2.783 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H]2C2CC2)ccc1[O-] ZINC000334691176 354479524 /nfs/dbraw/zinc/47/95/24/354479524.db2.gz YMHIAXOQPWCYLL-ZDUSSCGKSA-N -1 3 245.322 2.579 20 0 BFADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@H]1F ZINC000335113376 354700824 /nfs/dbraw/zinc/70/08/24/354700824.db2.gz RHXXWUWVICODLM-KOLCDFICSA-N -1 3 243.665 2.732 20 0 BFADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC000335113375 354701009 /nfs/dbraw/zinc/70/10/09/354701009.db2.gz RHXXWUWVICODLM-GXSJLCMTSA-N -1 3 243.665 2.732 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC(C)(C)C2)n1 ZINC000345924327 354809025 /nfs/dbraw/zinc/80/90/25/354809025.db2.gz IJIDHEVGLFRBDK-SNVBAGLBSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H](C)C2)n1 ZINC000345938279 354814338 /nfs/dbraw/zinc/81/43/38/354814338.db2.gz MAXGBPMRZNSACN-GXSJLCMTSA-N -1 3 248.326 2.860 20 0 BFADHM CC[C@@H](C)[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345938247 354814419 /nfs/dbraw/zinc/81/44/19/354814419.db2.gz LYXAJDCTUDYOCK-SCZZXKLOSA-N -1 3 236.315 2.716 20 0 BFADHM CCC[C@@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000345981047 354832672 /nfs/dbraw/zinc/83/26/72/354832672.db2.gz JSGKWUHDXZLQAY-SECBINFHSA-N -1 3 236.315 2.860 20 0 BFADHM Cc1ccc(C(=O)Nc2ccc(C)cc2[O-])n1C ZINC000040421391 358491632 /nfs/dbraw/zinc/49/16/32/358491632.db2.gz UODBPTKHYSBIJL-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC[C@H](F)C1 ZINC000335171797 354936005 /nfs/dbraw/zinc/93/60/05/354936005.db2.gz GDFBNCYMOJKCBO-ZJUUUORDSA-N -1 3 237.274 2.859 20 0 BFADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])C1CC1 ZINC000324110558 356740697 /nfs/dbraw/zinc/74/06/97/356740697.db2.gz NOHDYDQTQAMYFF-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM CCCCCNC(=O)c1c(C)cccc1[O-] ZINC000623346497 356753554 /nfs/dbraw/zinc/75/35/54/356753554.db2.gz TUTSSBNDGMGDGR-UHFFFAOYSA-N -1 3 221.300 2.621 20 0 BFADHM CCCN(CCC)C(=O)c1c(C)cccc1[O-] ZINC000623365215 356832379 /nfs/dbraw/zinc/83/23/79/356832379.db2.gz KMLVDGZKNQHKOE-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C(C)(C)C2CCC2)n1 ZINC000450533086 202190166 /nfs/dbraw/zinc/19/01/66/202190166.db2.gz STCLROXJHLDROH-UHFFFAOYSA-N -1 3 248.326 2.860 20 0 BFADHM CCc1cc(C(=O)OC(C)C)ccc1[O-] ZINC000582272803 356990805 /nfs/dbraw/zinc/99/08/05/356990805.db2.gz KGZZJTALWZEVNC-UHFFFAOYSA-N -1 3 208.257 2.520 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000626529061 357260395 /nfs/dbraw/zinc/26/03/95/357260395.db2.gz ILTRTPWFCXOBBY-RYUDHWBXSA-N -1 3 245.322 2.715 20 0 BFADHM [O-]c1cccc2ccc(/C=C/c3cncnc3)nc12 ZINC000357702765 538832916 /nfs/dbraw/zinc/83/29/16/538832916.db2.gz DEPKWQWJCWVODM-GQCTYLIASA-N -1 3 249.273 2.901 20 0 BFADHM O=C([O-])c1coc(CN(C2CC2)C2CCCC2)c1 ZINC000583209409 357537451 /nfs/dbraw/zinc/53/74/51/357537451.db2.gz OSEJGEOUJGPBEG-UHFFFAOYSA-N -1 3 249.310 2.885 20 0 BFADHM [O-]c1cc(F)cc(CN2C3CCC2CC3)c1 ZINC000398910564 357890927 /nfs/dbraw/zinc/89/09/27/357890927.db2.gz UGDBPOGHFOFVFF-UHFFFAOYSA-N -1 3 221.275 2.658 20 0 BFADHM CCN(C(=O)c1ccccc1[O-])C1CCCC1 ZINC000035208214 357968747 /nfs/dbraw/zinc/96/87/47/357968747.db2.gz JKVSUSBGPGYBLD-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM Cc1cc(C(=O)NCCCC2CC2)ccc1[O-] ZINC000227031635 358347434 /nfs/dbraw/zinc/34/74/34/358347434.db2.gz XRPWMJDUUSCVAI-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM C[C@@H](N(C)Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000042770972 358358779 /nfs/dbraw/zinc/35/87/79/358358779.db2.gz LUMUZRLNJYVZIJ-SECBINFHSA-N -1 3 239.315 2.844 20 0 BFADHM CN(CCCC(=O)[O-])c1ccnc2ccccc21 ZINC000041719818 358514073 /nfs/dbraw/zinc/51/40/73/358514073.db2.gz KHJPAZCBVQNTSN-UHFFFAOYSA-N -1 3 244.294 2.536 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCc2ccsc2)c1 ZINC000042937123 358533132 /nfs/dbraw/zinc/53/31/32/358533132.db2.gz AJLLCJMAYHNECW-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C)c1 ZINC000175833692 134289149 /nfs/dbraw/zinc/28/91/49/134289149.db2.gz UXLMTYYGANXXGU-JTQLQIEISA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccc(CNC(=O)c2cccc([O-])c2)s1 ZINC000050226717 358721394 /nfs/dbraw/zinc/72/13/94/358721394.db2.gz ASEGNOKERJTGCE-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM O=C(c1ccccc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000134278099 358785969 /nfs/dbraw/zinc/78/59/69/358785969.db2.gz YCGAVESVLPMQRM-AAEUAGOBSA-N -1 3 245.322 2.797 20 0 BFADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ncccc1[O-] ZINC000450802975 202271096 /nfs/dbraw/zinc/27/10/96/202271096.db2.gz VZPOPGMBVFIBBF-NOZJJQNGSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000088055524 359933810 /nfs/dbraw/zinc/93/38/10/359933810.db2.gz QEHDZXSKGMGNBS-DTWKUNHWSA-N -1 3 230.267 2.874 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000092599626 360185423 /nfs/dbraw/zinc/18/54/23/360185423.db2.gz CPLZUFMFQJWFMP-QWRGUYRKSA-N -1 3 247.338 2.968 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000092599629 360185505 /nfs/dbraw/zinc/18/55/05/360185505.db2.gz CPLZUFMFQJWFMP-GHMZBOCLSA-N -1 3 247.338 2.968 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@H]1C[C@H]1C ZINC000629099697 360877957 /nfs/dbraw/zinc/87/79/57/360877957.db2.gz GDGDPFMTXCGJDS-RKDXNWHRSA-N -1 3 241.360 2.532 20 0 BFADHM C[C@]12CCCC[C@H]1CN2C(=O)c1ccccc1[O-] ZINC000629615144 361503302 /nfs/dbraw/zinc/50/33/02/361503302.db2.gz RGKKDZRSTWGUNK-NHYWBVRUSA-N -1 3 245.322 2.797 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC000037113706 361677443 /nfs/dbraw/zinc/67/74/43/361677443.db2.gz NDNFJYCYSLDWCV-JTQLQIEISA-N -1 3 221.300 2.653 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1cccc(C)c1[O-] ZINC000037113687 361677465 /nfs/dbraw/zinc/67/74/65/361677465.db2.gz SQXCDTAMXOIZJW-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CCc1ccc(C(=O)NC(C)(C)CC)c([O-])c1 ZINC000436799158 201336282 /nfs/dbraw/zinc/33/62/82/201336282.db2.gz XIMDGEDOLVCRFI-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CCCCN(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436754348 201337421 /nfs/dbraw/zinc/33/74/21/201337421.db2.gz ITSHMFKOHKZSIK-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM CCc1ccc(C(=O)NCC(C)(C)C)c([O-])c1 ZINC000436809416 201339219 /nfs/dbraw/zinc/33/92/19/201339219.db2.gz ONUPSOWSXQQPEE-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000436831384 201339717 /nfs/dbraw/zinc/33/97/17/201339717.db2.gz FWNGNHQWSIILTC-WDEREUQCSA-N -1 3 247.338 2.825 20 0 BFADHM O=C(c1ccccc1[O-])N(CC1CC1)C1CCC1 ZINC000436931138 201339941 /nfs/dbraw/zinc/33/99/41/201339941.db2.gz JNIWIDHQPOBEFY-UHFFFAOYSA-N -1 3 245.322 2.797 20 0 BFADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccccc1[O-] ZINC000436914587 201340073 /nfs/dbraw/zinc/34/00/73/201340073.db2.gz KECVWWVANDXNAG-GHMZBOCLSA-N -1 3 247.338 2.947 20 0 BFADHM CC(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436901172 201340650 /nfs/dbraw/zinc/34/06/50/201340650.db2.gz ADVQIZMBYSNHMR-LBPRGKRZSA-N -1 3 247.338 2.900 20 0 BFADHM Cc1ccc(CNCc2ccc([O-])c(F)c2)cn1 ZINC000156008605 201379814 /nfs/dbraw/zinc/37/98/14/201379814.db2.gz RVDIVPPURONKMR-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM C[C@@H]1CC[C@@H]1NCc1cccc([O-])c1Cl ZINC000328236624 363863025 /nfs/dbraw/zinc/86/30/25/363863025.db2.gz PYWSGWPPMJMYTJ-SCZZXKLOSA-N -1 3 225.719 2.934 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000037173912 363874308 /nfs/dbraw/zinc/87/43/08/363874308.db2.gz DWLHVUBBMOVMSD-SNVBAGLBSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CCC1(C)C ZINC000622122798 370724063 /nfs/dbraw/zinc/72/40/63/370724063.db2.gz TWXNUAAEYZAVNS-JTQLQIEISA-N -1 3 249.358 2.638 20 0 BFADHM COc1ccc(NC(=O)CCC(C)C)c([O-])c1 ZINC000135402841 541364367 /nfs/dbraw/zinc/36/43/67/541364367.db2.gz UEAKSKYJIURXRP-UHFFFAOYSA-N -1 3 237.299 2.776 20 0 BFADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000272745672 364752183 /nfs/dbraw/zinc/75/21/83/364752183.db2.gz MZMFWZVINKHVNW-MFKMUULPSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1oc([C@H](C)N2CCC[C@H]2C)cc1C(=O)[O-] ZINC000574047110 364975927 /nfs/dbraw/zinc/97/59/27/364975927.db2.gz SWGWPEBCFQAIMZ-BDAKNGLRSA-N -1 3 237.299 2.832 20 0 BFADHM Cc1cccc(Cl)c1CN(C)[C@@H](C)C(=O)[O-] ZINC000574524989 365083164 /nfs/dbraw/zinc/08/31/64/365083164.db2.gz MIWNZKCGWCIOTR-VIFPVBQESA-N -1 3 241.718 2.553 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)c([O-])c1C ZINC000444473991 193047813 /nfs/dbraw/zinc/04/78/13/193047813.db2.gz DIIXBCMBFYYIQJ-SKDRFNHKSA-N -1 3 247.338 2.927 20 0 BFADHM C[C@@H]1c2ccccc2CN1Cc1ncccc1[O-] ZINC000575591201 365331866 /nfs/dbraw/zinc/33/18/66/365331866.db2.gz YCBPQFMTRKRPQB-LLVKDONJSA-N -1 3 240.306 2.864 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])c1ccc(F)cc1 ZINC000174885423 365518852 /nfs/dbraw/zinc/51/88/52/365518852.db2.gz QEAKMXMUDDCHDW-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM Cc1nc(C)c(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000183018838 366966618 /nfs/dbraw/zinc/96/66/18/366966618.db2.gz KZIZHVLWKQPKFG-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CCc1cccc(C(=O)NCC2CCCC2)c1[O-] ZINC000622303559 370832750 /nfs/dbraw/zinc/83/27/50/370832750.db2.gz OWHPSFHEFVJFJN-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM C[C@H](CC(C)(C)C)NC(=O)c1cccc([O-])c1 ZINC000384525583 367698040 /nfs/dbraw/zinc/69/80/40/367698040.db2.gz LDIPVSZXXFKKPO-SNVBAGLBSA-N -1 3 235.327 2.947 20 0 BFADHM CCN(CCC1CC1)C(=O)c1ccccc1[O-] ZINC000385868714 367872428 /nfs/dbraw/zinc/87/24/28/367872428.db2.gz MAIQVZQFCLPCCB-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM COc1ccc([O-])c(-c2nc(C(C)C)no2)c1 ZINC000109037169 368611211 /nfs/dbraw/zinc/61/12/11/368611211.db2.gz DBRBUZIUEWRXCU-UHFFFAOYSA-N -1 3 234.255 2.574 20 0 BFADHM CC1CCN(Cc2ccsc2C(=O)[O-])CC1 ZINC000082501586 368689299 /nfs/dbraw/zinc/68/92/99/368689299.db2.gz VYZXZLMGZOWSPQ-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM CCC1CN(C(=O)c2ccc(C(C)C)cc2[O-])C1 ZINC000457275281 203032140 /nfs/dbraw/zinc/03/21/40/203032140.db2.gz KWMWXXANIIVMKK-UHFFFAOYSA-N -1 3 247.338 2.998 20 0 BFADHM O=C([O-])c1cc(F)ccc1CN1CCCCC1 ZINC000110443248 368757742 /nfs/dbraw/zinc/75/77/42/368757742.db2.gz UMSUJQPNMJHXHC-UHFFFAOYSA-N -1 3 237.274 2.510 20 0 BFADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1ccccc1Cl ZINC000086297484 368879036 /nfs/dbraw/zinc/87/90/36/368879036.db2.gz IYXWAVFFZBMDJU-BDAKNGLRSA-N -1 3 241.718 2.539 20 0 BFADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CCC1 ZINC000457677271 203089086 /nfs/dbraw/zinc/08/90/86/203089086.db2.gz SSOXDFQUGZTDTH-MRVPVSSYSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[O-] ZINC000618510281 369163341 /nfs/dbraw/zinc/16/33/41/369163341.db2.gz NZJLKQOATZSAMG-GMXVVIOVSA-N -1 3 245.322 2.558 20 0 BFADHM O=C(NC1(C2CCC2)CCC1)c1ccccc1[O-] ZINC000458228146 203146244 /nfs/dbraw/zinc/14/62/44/203146244.db2.gz BLCZDTPQRSMHRX-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)C1CC1 ZINC000623683056 369399473 /nfs/dbraw/zinc/39/94/73/369399473.db2.gz FVDLLMZPECLLLM-JTQLQIEISA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)NC[C@@H](C)C2CC2)c([O-])c1C ZINC000619652804 369507998 /nfs/dbraw/zinc/50/79/98/369507998.db2.gz BQFJYPJOFOJJJS-SNVBAGLBSA-N -1 3 247.338 2.785 20 0 BFADHM Cc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1C ZINC000619652802 369508161 /nfs/dbraw/zinc/50/81/61/369508161.db2.gz BQFJYPJOFOJJJS-JTQLQIEISA-N -1 3 247.338 2.785 20 0 BFADHM Cc1cccc(C(=O)NCC2=CCCC2)c1[O-] ZINC000620003387 369658066 /nfs/dbraw/zinc/65/80/66/369658066.db2.gz GWCDSMIHYKEXOH-UHFFFAOYSA-N -1 3 231.295 2.541 20 0 BFADHM Clc1nnc2cc(Cl)[n-]c(Cl)c1-2 ZINC000514253338 369712015 /nfs/dbraw/zinc/71/20/15/369712015.db2.gz ZJHKWYCHKYEUEI-UHFFFAOYSA-N -1 3 222.462 2.918 20 0 BFADHM Clc1n[n-]c2cc(Cl)nc(Cl)c12 ZINC000514253338 369712018 /nfs/dbraw/zinc/71/20/18/369712018.db2.gz ZJHKWYCHKYEUEI-UHFFFAOYSA-N -1 3 222.462 2.918 20 0 BFADHM Clc1[n-]nc2cc(Cl)nc(Cl)c12 ZINC000514253338 369712020 /nfs/dbraw/zinc/71/20/20/369712020.db2.gz ZJHKWYCHKYEUEI-UHFFFAOYSA-N -1 3 222.462 2.918 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)C[C@@H]2CC2(C)C)c1 ZINC000621054803 370087917 /nfs/dbraw/zinc/08/79/17/370087917.db2.gz RWTWIICGNWINCY-NSHDSACASA-N -1 3 247.338 2.819 20 0 BFADHM Cc1oc(CN(C)CCC2CC2)cc1C(=O)[O-] ZINC000310372126 370340377 /nfs/dbraw/zinc/34/03/77/370340377.db2.gz YAYWIQNRYLTONS-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000627724828 371897321 /nfs/dbraw/zinc/89/73/21/371897321.db2.gz IUWMJLUILFNFKA-GRYCIOLGSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H](C)[C@H]1C ZINC000627777774 371971522 /nfs/dbraw/zinc/97/15/22/371971522.db2.gz PBTAWIFYLRMAEV-SDDRHHMPSA-N -1 3 247.338 2.817 20 0 BFADHM O=C(C[C@H]1C=CCCC1)[N-]OCc1ccccc1 ZINC000188942049 182026443 /nfs/dbraw/zinc/02/64/43/182026443.db2.gz ROPCVWDEQHUTCN-ZDUSSCGKSA-N -1 3 245.322 2.981 20 0 BFADHM C[C@H](CC1CCC1)NC(=O)c1cccc([O-])c1 ZINC000634365139 374207929 /nfs/dbraw/zinc/20/79/29/374207929.db2.gz JALDJQJSPJPFEQ-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1c2occ([O-])c2ccc1OC[C@@H]1C[C@@H]1C ZINC000634559730 374318480 /nfs/dbraw/zinc/31/84/80/374318480.db2.gz DQNPUBRFGRCGGG-WPRPVWTQSA-N -1 3 232.279 2.605 20 0 BFADHM O=C([N-]OCc1ccc(F)cc1)C1=CCCCC1 ZINC000275941960 182283396 /nfs/dbraw/zinc/28/33/96/182283396.db2.gz ZKTIGFXMESGNIL-UHFFFAOYSA-N -1 3 249.285 2.874 20 0 BFADHM O=C(N[C@H]1CC12CCCCC2)c1cccc([O-])c1 ZINC000182979086 182325466 /nfs/dbraw/zinc/32/54/66/182325466.db2.gz DDSXLLBFCKJOEB-ZDUSSCGKSA-N -1 3 245.322 2.845 20 0 BFADHM CCCN(CC)C(=O)c1ccc(CC)cc1[O-] ZINC000276122668 169117244 /nfs/dbraw/zinc/11/72/44/169117244.db2.gz YRCROPDLABEHOB-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM [O-]c1ccc(CN2CCCC2)c(Cl)c1 ZINC000149461514 183268520 /nfs/dbraw/zinc/26/85/20/183268520.db2.gz CAWIWBGGBCZHQR-UHFFFAOYSA-N -1 3 211.692 2.641 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC[C@H]2CF)c1F ZINC000293896123 183273903 /nfs/dbraw/zinc/27/39/03/183273903.db2.gz FCGQBHZFVYWFLH-QMMMGPOBSA-N -1 3 245.244 2.604 20 0 BFADHM CCCN(CC1CC1)C(=O)c1ccc(C)cc1[O-] ZINC000042208481 169136422 /nfs/dbraw/zinc/13/64/22/169136422.db2.gz SBCNNHDAAZBXQS-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCCN(CCC)C(=O)c1ccc([O-])c(C)c1 ZINC000226715363 169146422 /nfs/dbraw/zinc/14/64/22/169146422.db2.gz DPLWYZLCKMEJPT-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000035239203 383845593 /nfs/dbraw/zinc/84/55/93/383845593.db2.gz STSOGCVSXJNXES-JTQLQIEISA-N -1 3 221.300 2.653 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000087777635 383863825 /nfs/dbraw/zinc/86/38/25/383863825.db2.gz NYVWXFFCSRCVIK-RISCZKNCSA-N -1 3 245.322 2.797 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000087777645 383864856 /nfs/dbraw/zinc/86/48/56/383864856.db2.gz ZAXCMCODIHSEQR-AAEUAGOBSA-N -1 3 245.322 2.797 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@H]3CCCO3)no2)c1 ZINC000087803815 383866899 /nfs/dbraw/zinc/86/68/99/383866899.db2.gz NTWQDDCVYQBJEI-LLVKDONJSA-N -1 3 246.266 2.602 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000087803814 383867044 /nfs/dbraw/zinc/86/70/44/383867044.db2.gz NTWQDDCVYQBJEI-NSHDSACASA-N -1 3 246.266 2.602 20 0 BFADHM O=C(CCC(F)(F)F)[N-]OCc1ccccc1 ZINC000088833935 383924819 /nfs/dbraw/zinc/92/48/19/383924819.db2.gz HLUYPSNPOFSLMQ-UHFFFAOYSA-N -1 3 247.216 2.577 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)C2CC2)c1[O-] ZINC000112641090 383937471 /nfs/dbraw/zinc/93/74/71/383937471.db2.gz WWKMJRYJGCNMBX-UHFFFAOYSA-N -1 3 225.675 2.703 20 0 BFADHM [O-]C(=NOC1CCCC1)Nc1cccc(F)c1 ZINC000091534158 384130577 /nfs/dbraw/zinc/13/05/77/384130577.db2.gz BJKZBYWANKBPSD-UHFFFAOYSA-N -1 3 238.262 2.821 20 0 BFADHM O=C([N-]OC1CCCC1)Nc1cccc(F)c1 ZINC000091534158 384130583 /nfs/dbraw/zinc/13/05/83/384130583.db2.gz BJKZBYWANKBPSD-UHFFFAOYSA-N -1 3 238.262 2.821 20 0 BFADHM CCc1cccc(NC(=O)[N-]OCC(C)C)c1 ZINC000158249387 384212612 /nfs/dbraw/zinc/21/26/12/384212612.db2.gz AHNIVWZXFRZHRL-UHFFFAOYSA-N -1 3 236.315 2.958 20 0 BFADHM CCc1ccccc1NC(=O)[N-]OCC(C)C ZINC000158309376 384219553 /nfs/dbraw/zinc/21/95/53/384219553.db2.gz VNNLPJOOZYHJTA-UHFFFAOYSA-N -1 3 236.315 2.958 20 0 BFADHM CCC1(CC)CN(C(=O)c2cccc(C)c2[O-])C1 ZINC000294043129 384260495 /nfs/dbraw/zinc/26/04/95/384260495.db2.gz FLNLYQKRGFSQQL-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CCC[C@H]2C)n1 ZINC000119922814 384317472 /nfs/dbraw/zinc/31/74/72/384317472.db2.gz LNJOCACPYVNMPY-GHMZBOCLSA-N -1 3 249.358 2.508 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@H]1C1CCC1 ZINC000094105851 384290706 /nfs/dbraw/zinc/29/07/06/384290706.db2.gz CVTGOVZOOWXISG-ZDUSSCGKSA-N -1 3 245.322 2.797 20 0 BFADHM CC(C)CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184215885 384578501 /nfs/dbraw/zinc/57/85/01/384578501.db2.gz UCUZCNOBJLMLEL-UHFFFAOYSA-N -1 3 239.290 2.810 20 0 BFADHM CCCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184217478 384579857 /nfs/dbraw/zinc/57/98/57/384579857.db2.gz VVPAHWBADCHNOD-UHFFFAOYSA-N -1 3 225.263 2.564 20 0 BFADHM CCO[N-]C(=O)Nc1cc(C)ccc1Cl ZINC000184089849 384567034 /nfs/dbraw/zinc/56/70/34/384567034.db2.gz BVYILCBMNGKAJE-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000359913100 384609473 /nfs/dbraw/zinc/60/94/73/384609473.db2.gz QIACIFWSUSCTHM-NXEZZACHSA-N -1 3 219.284 2.767 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC(C2CC2)C2CC2)c1 ZINC000042237501 384634946 /nfs/dbraw/zinc/63/49/46/384634946.db2.gz UKGDYDLBJZTSQZ-UHFFFAOYSA-N -1 3 245.322 2.619 20 0 BFADHM CCO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103066688 384744798 /nfs/dbraw/zinc/74/47/98/384744798.db2.gz OSOKVVACBCSECX-ZDUSSCGKSA-N -1 3 235.327 2.884 20 0 BFADHM CC[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000144205665 384753743 /nfs/dbraw/zinc/75/37/43/384753743.db2.gz YYXPYKQDGXCCSQ-MRVPVSSYSA-N -1 3 207.273 2.685 20 0 BFADHM Cc1ccc([O-])c(CN[C@H](C)c2ccccc2)n1 ZINC000103340693 384762262 /nfs/dbraw/zinc/76/22/62/384762262.db2.gz OFGQCTTVUXUYCE-GFCCVEGCSA-N -1 3 242.322 2.946 20 0 BFADHM C/C(=C\C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000174887643 384845136 /nfs/dbraw/zinc/84/51/36/384845136.db2.gz UABJRZXMIWISIJ-SOFGYWHQSA-N -1 3 235.258 2.826 20 0 BFADHM C[C@H]1CCCN(Cc2occc2C(=O)[O-])[C@H]1C ZINC000252134781 384917168 /nfs/dbraw/zinc/91/71/68/384917168.db2.gz LJBGMEDUAWGPHJ-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@H](F)CCN=c1[n-]cc(C(F)(F)F)s1 ZINC000338752539 384947345 /nfs/dbraw/zinc/94/73/45/384947345.db2.gz RQPYRZHUGVJQOL-YFKPBYRVSA-N -1 3 242.241 2.744 20 0 BFADHM CCN(C(=O)c1ccccc1[O-])[C@@H](C)C(C)C ZINC000557575036 385021395 /nfs/dbraw/zinc/02/13/95/385021395.db2.gz DFPQIIOWQGKRNK-NSHDSACASA-N -1 3 235.327 2.899 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2CC2(C)C)c([O-])c1 ZINC000128001332 384978645 /nfs/dbraw/zinc/97/86/45/384978645.db2.gz QASYSMVEYWKQDJ-VIFPVBQESA-N -1 3 219.284 2.685 20 0 BFADHM CC(C)C1(CNC(=O)c2ccccc2[O-])CC1 ZINC000177400387 385003422 /nfs/dbraw/zinc/00/34/22/385003422.db2.gz SFWQRVZTKKLDBK-UHFFFAOYSA-N -1 3 233.311 2.558 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1 ZINC000188421825 385049476 /nfs/dbraw/zinc/04/94/76/385049476.db2.gz RTHSYLHLIIZEFZ-LLVKDONJSA-N -1 3 247.338 2.827 20 0 BFADHM O=C(CC1CCCC1)[N-]OCc1ccccc1 ZINC000061509075 385118010 /nfs/dbraw/zinc/11/80/10/385118010.db2.gz JZMREQMVIFBORS-UHFFFAOYSA-N -1 3 233.311 2.815 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000190230086 385221818 /nfs/dbraw/zinc/22/18/18/385221818.db2.gz CWFDMLZXSIQPFZ-SNVBAGLBSA-N -1 3 239.290 2.810 20 0 BFADHM CN(CC1CCCC1)C(=O)c1ccccc1[O-] ZINC000064088550 385242634 /nfs/dbraw/zinc/24/26/34/385242634.db2.gz JEXNTICIXZFYCR-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)CC2CCCC2)c1 ZINC000064088463 385243660 /nfs/dbraw/zinc/24/36/60/385243660.db2.gz BMGJNRXVNHTKNR-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153426319 385254997 /nfs/dbraw/zinc/25/49/97/385254997.db2.gz IIFPLMLFRBENJH-UHFFFAOYSA-N -1 3 213.664 2.640 20 0 BFADHM CCCCC[S@@](=O)c1ccc([O-])cc1 ZINC000178821729 385332630 /nfs/dbraw/zinc/33/26/30/385332630.db2.gz WCNVJSKLANFCTQ-CQSZACIVSA-N -1 3 212.314 2.690 20 0 BFADHM CCO[N-]C(=O)/C=C(\CC)c1ccc(OC)cc1 ZINC000178466501 385377169 /nfs/dbraw/zinc/37/71/69/385377169.db2.gz OMIZWTAEAVSBQQ-ZHACJKMWSA-N -1 3 249.310 2.556 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000272707191 385328558 /nfs/dbraw/zinc/32/85/58/385328558.db2.gz XHXKHGGEUDOIHZ-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM CCc1cc(C(=O)N2CC(C(C)C)C2)ccc1[O-] ZINC000644044003 385399413 /nfs/dbraw/zinc/39/94/13/385399413.db2.gz VPJZJKMQLMKIIV-UHFFFAOYSA-N -1 3 247.338 2.683 20 0 BFADHM CCON=C([O-])N1CC2(CCC2)c2ccccc21 ZINC000364500115 385473840 /nfs/dbraw/zinc/47/38/40/385473840.db2.gz JBTQDVBKBULILN-UHFFFAOYSA-N -1 3 246.310 2.589 20 0 BFADHM CCO[N-]C(=O)N1CC2(CCC2)c2ccccc21 ZINC000364500115 385473846 /nfs/dbraw/zinc/47/38/46/385473846.db2.gz JBTQDVBKBULILN-UHFFFAOYSA-N -1 3 246.310 2.589 20 0 BFADHM O=C(CCCC1CC1)Nc1ccccc1[O-] ZINC000643133001 385673233 /nfs/dbraw/zinc/67/32/33/385673233.db2.gz AGFFGWWDEVATKL-UHFFFAOYSA-N -1 3 219.284 2.911 20 0 BFADHM CC/C(C)=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000253463526 385677010 /nfs/dbraw/zinc/67/70/10/385677010.db2.gz OZIRJLRAAUZLOZ-CMDGGOBGSA-N -1 3 219.284 2.995 20 0 BFADHM CC[C@H](SC)C(=O)Nc1c(C)cccc1[O-] ZINC000183025886 385730437 /nfs/dbraw/zinc/73/04/37/385730437.db2.gz PFUWLZZQSXZWAQ-JTQLQIEISA-N -1 3 239.340 2.781 20 0 BFADHM O=[S@](CC1CCCC1)c1ccc([O-])cc1 ZINC000183459473 385763521 /nfs/dbraw/zinc/76/35/21/385763521.db2.gz NDSNFHUPDARMKV-OAHLLOKOSA-N -1 3 224.325 2.690 20 0 BFADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC000271228701 385808375 /nfs/dbraw/zinc/80/83/75/385808375.db2.gz IAECJKJFMZKELW-UHFFFAOYSA-N -1 3 235.327 2.880 20 0 BFADHM CC[C@H](C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647801834 385815998 /nfs/dbraw/zinc/81/59/98/385815998.db2.gz XJHSPSSLBYTOHD-QMMMGPOBSA-N -1 3 247.298 2.643 20 0 BFADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@H]1C ZINC000294202831 385822094 /nfs/dbraw/zinc/82/20/94/385822094.db2.gz KXLDYWPMOPFYIO-BDAKNGLRSA-N -1 3 241.281 2.901 20 0 BFADHM CCCCC(=O)Nc1c(C)cccc1[O-] ZINC000271383809 385822420 /nfs/dbraw/zinc/82/24/20/385822420.db2.gz UBKYMUBADAPZAG-UHFFFAOYSA-N -1 3 207.273 2.829 20 0 BFADHM CC(C)CCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647799160 385797410 /nfs/dbraw/zinc/79/74/10/385797410.db2.gz ZFKJNMOWRAMXNZ-UHFFFAOYSA-N -1 3 247.298 2.643 20 0 BFADHM CCCCCNC(=O)c1cc([O-])ccc1Cl ZINC000232970099 385904887 /nfs/dbraw/zinc/90/48/87/385904887.db2.gz CVKUQRMUOCLFBT-UHFFFAOYSA-N -1 3 241.718 2.966 20 0 BFADHM CC(C)N(C)Cc1c(F)ccc([O-])c1F ZINC000294916035 385916779 /nfs/dbraw/zinc/91/67/79/385916779.db2.gz NTTUISBMQCEPME-UHFFFAOYSA-N -1 3 215.243 2.511 20 0 BFADHM Cc1ccc(C(=O)NOC2CCCC2)c([O-])c1C ZINC000272096772 385875587 /nfs/dbraw/zinc/87/55/87/385875587.db2.gz KOTIELOSZMTMKB-UHFFFAOYSA-N -1 3 249.310 2.613 20 0 BFADHM CC/C(C)=C/C(=O)Nc1c(C)cccc1[O-] ZINC000295025064 385948765 /nfs/dbraw/zinc/94/87/65/385948765.db2.gz VEWHUGMAJWHAOI-CMDGGOBGSA-N -1 3 219.284 2.995 20 0 BFADHM C[C@H](C1CC1)N(C)Cc1c(F)ccc([O-])c1F ZINC000295276567 386005416 /nfs/dbraw/zinc/00/54/16/386005416.db2.gz HZWDADICHCBRGS-MRVPVSSYSA-N -1 3 241.281 2.901 20 0 BFADHM C[C@@H]1C[C@H](C)N1Cc1c(F)ccc([O-])c1F ZINC000334441409 386071472 /nfs/dbraw/zinc/07/14/72/386071472.db2.gz ZUXXKNNBOSQWOW-OCAPTIKFSA-N -1 3 227.254 2.653 20 0 BFADHM CC(F)(F)CC[S@](=O)c1ccc([O-])cc1 ZINC000414224137 386074797 /nfs/dbraw/zinc/07/47/97/386074797.db2.gz AEYIZPQOSHDGNP-HNNXBMFYSA-N -1 3 234.267 2.545 20 0 BFADHM C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000345285924 386089282 /nfs/dbraw/zinc/08/92/82/386089282.db2.gz MOYIPGQLGDVVSL-RKDXNWHRSA-N -1 3 237.274 2.906 20 0 BFADHM [O-]c1ccc(F)c(CN[C@H]2CCC[C@H]2F)c1F ZINC000334447968 386095155 /nfs/dbraw/zinc/09/51/55/386095155.db2.gz QRAPJLNQSGTMLG-ZJUUUORDSA-N -1 3 245.244 2.651 20 0 BFADHM Cc1ccc([O-])c(CN2CC3(C2)CCCCC3)n1 ZINC000297474289 386259481 /nfs/dbraw/zinc/25/94/81/386259481.db2.gz RLAZCYFVBJHJIL-UHFFFAOYSA-N -1 3 246.354 2.862 20 0 BFADHM CC(F)(F)C(=O)[N-][C@H]1CCc2c1cccc2F ZINC000288634057 386222958 /nfs/dbraw/zinc/22/29/58/386222958.db2.gz SZLUUESBCYJLIW-JTQLQIEISA-N -1 3 243.228 2.584 20 0 BFADHM CC(C)c1ccc(C(=O)N2CCCCO2)c([O-])c1 ZINC000276070851 386268844 /nfs/dbraw/zinc/26/88/44/386268844.db2.gz SKUAYTMWTGOGMP-UHFFFAOYSA-N -1 3 249.310 2.683 20 0 BFADHM Cc1cc(C(=O)N[C@H](C)CC(C)C)ccc1[O-] ZINC000227041741 386452098 /nfs/dbraw/zinc/45/20/98/386452098.db2.gz UWZFZICGVOSARL-LLVKDONJSA-N -1 3 235.327 2.865 20 0 BFADHM CCOc1cc(-c2noc(C3CC3)n2)ccc1[O-] ZINC000278067552 386489744 /nfs/dbraw/zinc/48/97/44/386489744.db2.gz MRIDHHRFWJGZGG-UHFFFAOYSA-N -1 3 246.266 2.718 20 0 BFADHM Cc1noc([N-]C(=O)c2cc(C(C)C)no2)c1C ZINC000267134874 386502158 /nfs/dbraw/zinc/50/21/58/386502158.db2.gz WSLPKVFBOSEOMD-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM CCc1ccc(C(=O)Nc2cccnc2)c([O-])c1 ZINC000188441492 386522510 /nfs/dbraw/zinc/52/25/10/386522510.db2.gz OIDMMVQNZIJRJZ-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)c([O-])c1 ZINC000278769086 386582036 /nfs/dbraw/zinc/58/20/36/386582036.db2.gz KUAKZOZVHNWRTP-LBPRGKRZSA-N -1 3 249.310 2.597 20 0 BFADHM Cc1ccc(NC(=O)C2(C)CCC2)c([O-])c1 ZINC000267457712 386546200 /nfs/dbraw/zinc/54/62/00/386546200.db2.gz GVEFMFZVTHAMCE-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM CCc1cc(C(=O)N2CCCC[C@H]2C)ccc1[O-] ZINC000291466441 386547916 /nfs/dbraw/zinc/54/79/16/386547916.db2.gz OJQQHOPMIQFUIV-LLVKDONJSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1ccnc(Sc2ccc([O-])cc2)n1 ZINC000061859753 386550169 /nfs/dbraw/zinc/55/01/69/386550169.db2.gz CPUPIEQLZPVYDX-UHFFFAOYSA-N -1 3 218.281 2.642 20 0 BFADHM CCc1ccc(C(=O)N(C)C(C)(C)C)c([O-])c1 ZINC000335514586 386651676 /nfs/dbraw/zinc/65/16/76/386651676.db2.gz RGVAHHYEISUHGK-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM CC[C@@H](C)CON=C([O-])Nc1ccccc1F ZINC000291918658 386599889 /nfs/dbraw/zinc/59/98/89/386599889.db2.gz RLQUFKHYWXILIY-SECBINFHSA-N -1 3 240.278 2.925 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1F ZINC000291918658 386599897 /nfs/dbraw/zinc/59/98/97/386599897.db2.gz RLQUFKHYWXILIY-SECBINFHSA-N -1 3 240.278 2.925 20 0 BFADHM CCc1cccc(C(=O)NCCC2(C)CC2)c1[O-] ZINC000526935329 386703089 /nfs/dbraw/zinc/70/30/89/386703089.db2.gz ZQKPMDHQNJXJPS-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM Cc1ccc(NC([O-])=NOCC2CC2)c(F)c1 ZINC000292666651 386706726 /nfs/dbraw/zinc/70/67/26/386706726.db2.gz DDFQSBMWSOGSNG-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC2CC2)c(F)c1 ZINC000292666651 386706728 /nfs/dbraw/zinc/70/67/28/386706728.db2.gz DDFQSBMWSOGSNG-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CCC2)c([O-])c1 ZINC000325314969 386780641 /nfs/dbraw/zinc/78/06/41/386780641.db2.gz BHTJLKYOBVHVQR-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H](C(=O)[O-])N1CCC[C@H]1c1cccs1 ZINC000248963933 386808289 /nfs/dbraw/zinc/80/82/89/386808289.db2.gz NHFXOVUHFLIUHH-UWVGGRQHSA-N -1 3 239.340 2.748 20 0 BFADHM C[C@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293795502 386882049 /nfs/dbraw/zinc/88/20/49/386882049.db2.gz OZPJZRZPIIPDOF-LLVKDONJSA-N -1 3 233.311 2.638 20 0 BFADHM Cc1o[n-]c(=NC(=O)c2cc(C)ccc2C)c1C ZINC000334855926 386907666 /nfs/dbraw/zinc/90/76/66/386907666.db2.gz JWMJTQUJWQLKKQ-UHFFFAOYSA-N -1 3 244.294 2.582 20 0 BFADHM Cc1o[n-]c(=NC(=O)c2ccc(C)cc2C)c1C ZINC000334856375 386908884 /nfs/dbraw/zinc/90/88/84/386908884.db2.gz OJISCRDIGPUGRA-UHFFFAOYSA-N -1 3 244.294 2.582 20 0 BFADHM O=C([N-]c1cc(F)ccc1F)c1cncs1 ZINC000334816539 386942334 /nfs/dbraw/zinc/94/23/34/386942334.db2.gz HQDGPPBCTHSYGQ-UHFFFAOYSA-N -1 3 240.234 2.674 20 0 BFADHM CS[C@@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000358550890 386979064 /nfs/dbraw/zinc/97/90/64/386979064.db2.gz CSZBCOLDTXGYFM-VIFPVBQESA-N -1 3 239.340 2.862 20 0 BFADHM Cc1n[nH]cc1[N-]c1nc2cc(C)ccc2o1 ZINC000358871131 387027756 /nfs/dbraw/zinc/02/77/56/387027756.db2.gz NYFAJNPFHDUFQG-UHFFFAOYSA-N -1 3 228.255 2.911 20 0 BFADHM COC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188737061 387087752 /nfs/dbraw/zinc/08/77/52/387087752.db2.gz BXRYZMVVYJXEHK-UHFFFAOYSA-N -1 3 242.687 2.578 20 0 BFADHM CCc1cc(C(=O)N2CC[C@@H]2C(C)C)ccc1[O-] ZINC000335003257 387097497 /nfs/dbraw/zinc/09/74/97/387097497.db2.gz QBTNOMMLYMXWSQ-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM COc1ccc(NC(=O)[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000571788475 387169015 /nfs/dbraw/zinc/16/90/15/387169015.db2.gz WZRRVIXSKHIMMM-YMTOWFKASA-N -1 3 247.294 2.530 20 0 BFADHM [O-]c1cccnc1CSCc1ccco1 ZINC000572100226 387233074 /nfs/dbraw/zinc/23/30/74/387233074.db2.gz FGJHJXFZPCMLRC-UHFFFAOYSA-N -1 3 221.281 2.814 20 0 BFADHM CCc1[nH]ccc1C(=O)Nc1ccccc1[O-] ZINC000336442645 387270960 /nfs/dbraw/zinc/27/09/60/387270960.db2.gz ZGSYGKXABSUXRC-UHFFFAOYSA-N -1 3 230.267 2.535 20 0 BFADHM Cc1cccc(C(=O)NC(C)(C)C(C)C)c1[O-] ZINC000514803418 387294893 /nfs/dbraw/zinc/29/48/93/387294893.db2.gz BEPHCJWOOMFUSD-UHFFFAOYSA-N -1 3 235.327 2.865 20 0 BFADHM CCN(CC1CCC1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000361482610 387470122 /nfs/dbraw/zinc/47/01/22/387470122.db2.gz 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388005401 /nfs/dbraw/zinc/00/54/01/388005401.db2.gz HVRPDNSLWIPNFA-UHFFFAOYSA-N -1 3 245.706 2.524 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cccc(F)c1F ZINC000082271091 388020332 /nfs/dbraw/zinc/02/03/32/388020332.db2.gz NPUSVMVATSZMMB-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000071209717 388079121 /nfs/dbraw/zinc/07/91/21/388079121.db2.gz OYXKITICHUDCCO-CMPLNLGQSA-N -1 3 233.311 2.619 20 0 BFADHM CC(C)(C(=O)Nc1ncccc1[O-])C1CCC1 ZINC000449107228 388143725 /nfs/dbraw/zinc/14/37/25/388143725.db2.gz LUQIAZBJTGRQDF-UHFFFAOYSA-N -1 3 234.299 2.552 20 0 BFADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000462189661 388264353 /nfs/dbraw/zinc/26/43/53/388264353.db2.gz PUFMDLRDXKHMFP-PSASIEDQSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(/C=C\C1CCC1)Nc1ccccc1[O-] ZINC000492305770 388341272 /nfs/dbraw/zinc/34/12/72/388341272.db2.gz XPCWQHFUPVNNQQ-HJWRWDBZSA-N -1 3 217.268 2.687 20 0 BFADHM Cc1cc(C(=O)N2CCCCCC2)ccc1[O-] ZINC000226713417 388354395 /nfs/dbraw/zinc/35/43/95/388354395.db2.gz YYGGQPCWOSECBT-UHFFFAOYSA-N -1 3 233.311 2.717 20 0 BFADHM CCC1(CC)CN(C(=O)c2ccccc2[O-])C1 ZINC000294563299 388402352 /nfs/dbraw/zinc/40/23/52/388402352.db2.gz WYGVRHUWUHAXBZ-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM Cc1ccc(NC(=O)C[C@@H]2C=CCC2)c([O-])c1 ZINC000008241863 388402980 /nfs/dbraw/zinc/40/29/80/388402980.db2.gz NSFCOKUFWPLFHB-LLVKDONJSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1ccoc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000334604554 388445598 /nfs/dbraw/zinc/44/55/98/388445598.db2.gz IVUCOWBYIYTLKV-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000335971455 388455668 /nfs/dbraw/zinc/45/56/68/388455668.db2.gz XUZMKQKEGMIPHU-CQSZACIVSA-N -1 3 233.311 2.654 20 0 BFADHM CO[C@H](C)[C@@H](C)NCc1cccc([O-])c1Cl ZINC000339369265 388482899 /nfs/dbraw/zinc/48/28/99/388482899.db2.gz DLDRDYFDVJLNKS-RKDXNWHRSA-N -1 3 243.734 2.559 20 0 BFADHM CCCC(C)(C)NC(=O)c1ccccc1[O-] ZINC000123548951 388655357 /nfs/dbraw/zinc/65/53/57/388655357.db2.gz CLLPUZKJNLWZII-UHFFFAOYSA-N -1 3 221.300 2.701 20 0 BFADHM CC1(C)CCN1Cc1c(F)ccc([O-])c1F ZINC000552050334 388663606 /nfs/dbraw/zinc/66/36/06/388663606.db2.gz VTXABLLSGJRECT-UHFFFAOYSA-N -1 3 227.254 2.655 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1cccc(F)c1 ZINC000128276248 388743080 /nfs/dbraw/zinc/74/30/80/388743080.db2.gz KYHFPLAYBMWNTM-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000128349508 388749955 /nfs/dbraw/zinc/74/99/55/388749955.db2.gz WCHKLBHJBWCFQJ-SDBXPKJASA-N -1 3 237.274 2.906 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2C)c1 ZINC000539841324 388785116 /nfs/dbraw/zinc/78/51/16/388785116.db2.gz NSUVKWBQJUKQRF-MNOVXSKESA-N -1 3 247.338 2.825 20 0 BFADHM C[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000230428749 388826708 /nfs/dbraw/zinc/82/67/08/388826708.db2.gz LOYVICNTKMWZNU-WDEREUQCSA-N -1 3 233.311 2.558 20 0 BFADHM CCC(C)(C)CNC(=O)c1cccc(C)c1[O-] ZINC000232847221 388859887 /nfs/dbraw/zinc/85/98/87/388859887.db2.gz LLNWBDYHOYURJO-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CC[C@@]1(C)CCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000556087473 388866388 /nfs/dbraw/zinc/86/63/88/388866388.db2.gz ZBSKORUMJCUHRT-RISCZKNCSA-N -1 3 249.358 2.674 20 0 BFADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000232386270 388850392 /nfs/dbraw/zinc/85/03/92/388850392.db2.gz KOARREJGYHDPKA-PWSUYJOCSA-N -1 3 247.338 2.867 20 0 BFADHM CCc1cc(C(=O)N2C3CCC2CC3)ccc1[O-] ZINC000555490217 388851324 /nfs/dbraw/zinc/85/13/24/388851324.db2.gz PNLNTTVXQZSBLK-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM O=C([O-])[C@H]1CC12CCN(CC1=CCCCC1)CC2 ZINC000564738865 388886393 /nfs/dbraw/zinc/88/63/93/388886393.db2.gz SYDYCLUWFPFTCQ-CYBMUJFWSA-N -1 3 249.354 2.674 20 0 BFADHM O=C([O-])c1ccc(CN(C2CC2)C2CCCC2)o1 ZINC000565101855 388915353 /nfs/dbraw/zinc/91/53/53/388915353.db2.gz ZEGGZTCVWTVTKK-UHFFFAOYSA-N -1 3 249.310 2.885 20 0 BFADHM CC(C)(C)C1=CCN(Cc2ncccc2[O-])CC1 ZINC000565685455 388961493 /nfs/dbraw/zinc/96/14/93/388961493.db2.gz XYWWCGCCHIHRSJ-UHFFFAOYSA-N -1 3 246.354 2.965 20 0 BFADHM CC[C@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000272745671 389036199 /nfs/dbraw/zinc/03/61/99/389036199.db2.gz MZMFWZVINKHVNW-GXFFZTMASA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cc(C(=O)N2CC(C3CCC3)C2)ccc1[O-] ZINC000335952693 134022220 /nfs/dbraw/zinc/02/22/20/134022220.db2.gz AMKDFUJRLWXXOC-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC000351972816 134025009 /nfs/dbraw/zinc/02/50/09/134025009.db2.gz VGKQNHXGZPMDCZ-NSHDSACASA-N -1 3 241.281 2.901 20 0 BFADHM Cc1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000336157640 134106519 /nfs/dbraw/zinc/10/65/19/134106519.db2.gz UQRCTPYYJKXAAU-GWCFXTLKSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(CC1CC(F)(F)C1)Nc1ccccc1[O-] ZINC000336212940 134135320 /nfs/dbraw/zinc/13/53/20/134135320.db2.gz ZJPXFHOCXFWRHX-UHFFFAOYSA-N -1 3 241.237 2.766 20 0 BFADHM [O-]c1ccc(F)c(CN2CC[C@@H]2C2CC2)c1F ZINC000336216349 134137184 /nfs/dbraw/zinc/13/71/84/134137184.db2.gz UOVBMVDCCDZXHQ-LLVKDONJSA-N -1 3 239.265 2.655 20 0 BFADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1cccc([O-])c1 ZINC000182459656 134341838 /nfs/dbraw/zinc/34/18/38/134341838.db2.gz DGDMPDRLVLWZIM-QWRGUYRKSA-N -1 3 247.338 2.947 20 0 BFADHM C[C@H](NCc1cc([O-])cc(F)c1)c1cccnc1 ZINC000184134043 134359186 /nfs/dbraw/zinc/35/91/86/134359186.db2.gz NXTQQIPSFWHPSN-JTQLQIEISA-N -1 3 246.285 2.777 20 0 BFADHM Cc1cc(C(=O)N(C)c2ccccc2)ccc1[O-] ZINC000226950761 134370691 /nfs/dbraw/zinc/37/06/91/134370691.db2.gz XTUYDUKNVOOTPA-UHFFFAOYSA-N -1 3 241.290 2.977 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C)ccc1[O-] ZINC000226996437 134371118 /nfs/dbraw/zinc/37/11/18/134371118.db2.gz LHEVJAMLCIZTPQ-SKDRFNHKSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000226954377 134371194 /nfs/dbraw/zinc/37/11/94/134371194.db2.gz RCJLFYVLIVMJNS-SNVBAGLBSA-N -1 3 249.310 2.503 20 0 BFADHM Cc1cc(C(=O)NC2C(C)(C)C2(C)C)ccc1[O-] ZINC000227038060 134373679 /nfs/dbraw/zinc/37/36/79/134373679.db2.gz MZUHRYYKWHSWBI-UHFFFAOYSA-N -1 3 247.338 2.865 20 0 BFADHM Cc1cnccc1NC(=O)c1ccc([O-])c(C)c1 ZINC000227027514 134373782 /nfs/dbraw/zinc/37/37/82/134373782.db2.gz WXUWHQNULHQFEI-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC(C)(C)CCNC(=O)c1cccc([O-])c1 ZINC000163665503 135040439 /nfs/dbraw/zinc/04/04/39/135040439.db2.gz OEFQTEJRWDWXOI-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM O=C([O-])c1cccc(CNCC2=CCCCC2)c1 ZINC000263359387 135348755 /nfs/dbraw/zinc/34/87/55/135348755.db2.gz SYHAAKGQKGUERI-UHFFFAOYSA-N -1 3 245.322 2.975 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263491991 135357141 /nfs/dbraw/zinc/35/71/41/135357141.db2.gz RLPNUWHELCEENO-ZDUSSCGKSA-N -1 3 233.311 2.615 20 0 BFADHM Cc1coc(C)c1C(=O)Nc1cccc([O-])c1F ZINC000334365878 135373660 /nfs/dbraw/zinc/37/36/60/135373660.db2.gz OUOLDCIUUCHNIZ-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM Cc1ccc(CNCc2ncccc2[O-])cc1F ZINC000347926781 136018582 /nfs/dbraw/zinc/01/85/82/136018582.db2.gz SYAWAFVSLARNBI-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM C[C@H]1C[C@@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000335331459 136053553 /nfs/dbraw/zinc/05/35/53/136053553.db2.gz IGUIFKBBHRIPME-CMPLNLGQSA-N -1 3 245.322 2.718 20 0 BFADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335347912 136067407 /nfs/dbraw/zinc/06/74/07/136067407.db2.gz SCNSZYZNPIZOHY-UWVGGRQHSA-N -1 3 237.274 2.762 20 0 BFADHM Cc1ccc(C(=O)N2CCC23CCC3)c([O-])c1C ZINC000335384296 136088409 /nfs/dbraw/zinc/08/84/09/136088409.db2.gz PRFRTIOQWYMEEQ-UHFFFAOYSA-N -1 3 245.322 2.778 20 0 BFADHM Cc1ccc(NC(=O)[C@@]2(C)CCCCO2)c([O-])c1 ZINC000335578917 136111924 /nfs/dbraw/zinc/11/19/24/136111924.db2.gz JONWMFUFBHDJAB-CQSZACIVSA-N -1 3 249.310 2.598 20 0 BFADHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000649577221 397966298 /nfs/dbraw/zinc/96/62/98/397966298.db2.gz ZYXDFUVWBRRGAE-SECBINFHSA-N -1 3 247.385 2.523 20 0 BFADHM Cc1oc(CN(C)C(C)(C)C)cc1C(=O)[O-] ZINC000382228017 397923895 /nfs/dbraw/zinc/92/38/95/397923895.db2.gz GNFKWMWZUFDBIW-UHFFFAOYSA-N -1 3 225.288 2.517 20 0 BFADHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]OC(C)C ZINC000295523562 398134684 /nfs/dbraw/zinc/13/46/84/398134684.db2.gz IUTPREQFKSYRJY-NXEZZACHSA-N -1 3 239.340 2.616 20 0 BFADHM CN(CCC(C)(C)C)Cc1ccoc1C(=O)[O-] ZINC000258684652 487613989 /nfs/dbraw/zinc/61/39/89/487613989.db2.gz JEZGUQYMKMVYMC-UHFFFAOYSA-N -1 3 239.315 2.846 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2(C3CCC3)CC2)c1 ZINC000650667778 410291273 /nfs/dbraw/zinc/29/12/73/410291273.db2.gz TUEZLRFMVVXYNE-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CC(C)Sc1ccccc1[N-]S(C)(=O)=O ZINC000336623365 167339311 /nfs/dbraw/zinc/33/93/11/167339311.db2.gz VTDLLIFVBQIVQK-UHFFFAOYSA-N -1 3 245.369 2.559 20 0 BFADHM CCCCN(C)Cc1csc(C(=O)[O-])c1 ZINC000652367490 411219547 /nfs/dbraw/zinc/21/95/47/411219547.db2.gz ILEBCIUGJIOYHW-UHFFFAOYSA-N -1 3 227.329 2.678 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000403318444 411338671 /nfs/dbraw/zinc/33/86/71/411338671.db2.gz ATPFFOPTUMQYSH-IJLUTSLNSA-N -1 3 245.322 2.619 20 0 BFADHM CCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000125339436 168243519 /nfs/dbraw/zinc/24/35/19/168243519.db2.gz WHEGGOAECAEKNQ-UHFFFAOYSA-N -1 3 233.189 2.760 20 0 BFADHM CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000078751583 168244734 /nfs/dbraw/zinc/24/47/34/168244734.db2.gz REGQGPXKJBOWHA-UHFFFAOYSA-N -1 3 244.088 2.503 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000227031528 168284551 /nfs/dbraw/zinc/28/45/51/168284551.db2.gz OZGCFYNGSZXMQG-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM Cc1cc([C@H](C)N2CC[C@@H]3C[C@@H]3C2)oc1C(=O)[O-] ZINC000659799782 411457622 /nfs/dbraw/zinc/45/76/22/411457622.db2.gz HWADWHOKLBYXLA-HBNTYKKESA-N -1 3 249.310 2.689 20 0 BFADHM CCO[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000171524722 170461966 /nfs/dbraw/zinc/46/19/66/170461966.db2.gz JRZJZVBLWJJKLF-LLVKDONJSA-N -1 3 221.300 2.638 20 0 BFADHM CC/C=C/CCOc1ccc2c([O-])coc2c1 ZINC000664135507 411866451 /nfs/dbraw/zinc/86/64/51/411866451.db2.gz MIHBQUJEPGVEAE-ONEGZZNKSA-N -1 3 232.279 2.997 20 0 BFADHM [O-]c1coc2cc(OC[C@@H]3C[C@H]4C[C@H]4C3)ccc12 ZINC000664135839 411866805 /nfs/dbraw/zinc/86/68/05/411866805.db2.gz OBSDXJRYOASRKI-JGPRNRPPSA-N -1 3 244.290 2.687 20 0 BFADHM CC[C@@H]1CC[C@@H](C(=O)Nc2c(C)cccc2[O-])O1 ZINC000272598825 171032367 /nfs/dbraw/zinc/03/23/67/171032367.db2.gz YGXYUDCVXJCSRD-PWSUYJOCSA-N -1 3 249.310 2.597 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000336221021 171131903 /nfs/dbraw/zinc/13/19/03/171131903.db2.gz URENDUSPARHCKV-VXNVDRBHSA-N -1 3 223.247 2.516 20 0 BFADHM CC[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000233944052 171140001 /nfs/dbraw/zinc/14/00/01/171140001.db2.gz WMFHDYIFZSVQDS-RDDDGLTNSA-N -1 3 239.702 2.574 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC000336311146 171200403 /nfs/dbraw/zinc/20/04/03/171200403.db2.gz FDMISFNHMLCUMZ-AWEZNQCLSA-N -1 3 233.311 2.654 20 0 BFADHM CC[C@H](C)CCC(=O)Nc1nc(C)ccc1[O-] ZINC000355499280 171268809 /nfs/dbraw/zinc/26/88/09/171268809.db2.gz KXFOXYKLIGTNDS-VIFPVBQESA-N -1 3 236.315 2.860 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1cccc(C)c1[O-] ZINC000037173903 171271538 /nfs/dbraw/zinc/27/15/38/171271538.db2.gz FUQFNOMWZWJTJH-JTQLQIEISA-N -1 3 235.327 2.819 20 0 BFADHM CCOC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000665204090 412135711 /nfs/dbraw/zinc/13/57/11/412135711.db2.gz ZBHOZMGTSWBHIJ-UHFFFAOYSA-N -1 3 249.310 2.598 20 0 BFADHM CN(C(=O)c1cccc([O-])c1)C1(C)CCCC1 ZINC000336540747 172341980 /nfs/dbraw/zinc/34/19/80/172341980.db2.gz JWCLHVACDBWLFW-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM CN(C(=O)c1cccc([O-])c1)c1ccccc1 ZINC000019837334 172342350 /nfs/dbraw/zinc/34/23/50/172342350.db2.gz ICHBNPAKBOFRCT-UHFFFAOYSA-N -1 3 227.263 2.669 20 0 BFADHM CN(C(=O)c1cccc([O-])c1)c1ccc(F)cc1 ZINC000049965999 172342669 /nfs/dbraw/zinc/34/26/69/172342669.db2.gz KWODYFFIMIMAAJ-UHFFFAOYSA-N -1 3 245.253 2.808 20 0 BFADHM COCCCCNCc1cccc([O-])c1Cl ZINC000293978060 174200662 /nfs/dbraw/zinc/20/06/62/174200662.db2.gz DNGFGLUXLVEYQJ-UHFFFAOYSA-N -1 3 243.734 2.562 20 0 BFADHM COc1ccc(-c2ccc(=S)[n-]n2)c(OC)c1 ZINC000041300674 175032169 /nfs/dbraw/zinc/03/21/69/175032169.db2.gz OGJGHTRDIXDZQF-UHFFFAOYSA-N -1 3 248.307 2.823 20 0 BFADHM COc1ccc(C)cc1-c1cncc([O-])c1 ZINC000065339148 175072492 /nfs/dbraw/zinc/07/24/92/175072492.db2.gz USJLVVIGVWHORQ-UHFFFAOYSA-N -1 3 215.252 2.771 20 0 BFADHM COc1ccc([O-])c(C(=O)Nc2ccccc2)c1 ZINC000033816388 175157680 /nfs/dbraw/zinc/15/76/80/175157680.db2.gz MPCVKCTZPRZKRR-UHFFFAOYSA-N -1 3 243.262 2.653 20 0 BFADHM COc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000019838005 175336578 /nfs/dbraw/zinc/33/65/78/175336578.db2.gz QAYNNYKSEOOCQK-UHFFFAOYSA-N -1 3 243.262 2.653 20 0 BFADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)C(C)(F)F ZINC000328223526 175620640 /nfs/dbraw/zinc/62/06/40/175620640.db2.gz ZHVMAJHMJZZWOS-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000285012937 176060069 /nfs/dbraw/zinc/06/00/69/176060069.db2.gz HTNRYTCABGSPHA-GHMZBOCLSA-N -1 3 231.295 2.933 20 0 BFADHM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000096790796 176095517 /nfs/dbraw/zinc/09/55/17/176095517.db2.gz GIZGIJCJVWPHGX-LLVKDONJSA-N -1 3 233.311 2.654 20 0 BFADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000037256978 176122588 /nfs/dbraw/zinc/12/25/88/176122588.db2.gz FEKUFAVPOOBCII-ZYHUDNBSSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCC[C@@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000104151495 176123750 /nfs/dbraw/zinc/12/37/50/176123750.db2.gz HFGPMIFGJUYGRU-NXEZZACHSA-N -1 3 237.299 2.646 20 0 BFADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2[O-])C1 ZINC000019840004 176361184 /nfs/dbraw/zinc/36/11/84/176361184.db2.gz SPTQARSSDUHYOR-GHMZBOCLSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@H](c1ccco1)N(C)C(=O)c1ccccc1[O-] ZINC000123956429 177048062 /nfs/dbraw/zinc/04/80/62/177048062.db2.gz YSROIZSVEIHCLG-SNVBAGLBSA-N -1 3 245.278 2.818 20 0 BFADHM C[C@H]1CCC[C@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000356142082 177132319 /nfs/dbraw/zinc/13/23/19/177132319.db2.gz DOJNCGWQZCDONG-QWRGUYRKSA-N -1 3 248.326 2.942 20 0 BFADHM C[C@H]1CC[C@@H](CCC(=O)Nc2ccccc2[O-])O1 ZINC000175083074 177188583 /nfs/dbraw/zinc/18/85/83/177188583.db2.gz CDWGZGNRLBXISK-QWRGUYRKSA-N -1 3 249.310 2.678 20 0 BFADHM C[C@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000336299700 177191845 /nfs/dbraw/zinc/19/18/45/177191845.db2.gz JXJRHAVNLBHDEI-CMPLNLGQSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2[O-])C1 ZINC000019840006 177311901 /nfs/dbraw/zinc/31/19/01/177311901.db2.gz SPTQARSSDUHYOR-PHIMTYICSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000051734494 177355030 /nfs/dbraw/zinc/35/50/30/177355030.db2.gz YLVLJFKDLQNWRJ-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM O=C(/C=C\Sc1ccccc1)[N-]OCC1CC1 ZINC000492849288 226065884 /nfs/dbraw/zinc/06/58/84/226065884.db2.gz BSNRSZDIINRMQM-HJWRWDBZSA-N -1 3 249.335 2.750 20 0 BFADHM O=C(/C=C/Sc1ccccc1)[N-]OC1CCC1 ZINC000492989314 226098369 /nfs/dbraw/zinc/09/83/69/226098369.db2.gz OSUPQYLDNAAKND-MDZDMXLPSA-N -1 3 249.335 2.893 20 0 BFADHM CCC[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087616225 487671820 /nfs/dbraw/zinc/67/18/20/487671820.db2.gz ISQYZXNJUIPELS-BXUZGUMPSA-N -1 3 247.338 2.859 20 0 BFADHM C[C@H]1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000195621956 229168277 /nfs/dbraw/zinc/16/82/77/229168277.db2.gz MJPPOIUAKCPTAP-NWDGAFQWSA-N -1 3 247.338 2.948 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2CC23CCC3)c([O-])c1 ZINC000675336673 487713169 /nfs/dbraw/zinc/71/31/69/487713169.db2.gz UZSLVACKSZHEPR-JTQLQIEISA-N -1 3 231.295 2.829 20 0 BFADHM CC(C)c1ccc(C(=O)NC2CC=CC2)c([O-])c1 ZINC000675414584 487723910 /nfs/dbraw/zinc/72/39/10/487723910.db2.gz CZLFTGAEHWUIGQ-UHFFFAOYSA-N -1 3 245.322 2.964 20 0 BFADHM CC(C)c1ccc(C(=O)NCCCF)c([O-])c1 ZINC000676063451 487807204 /nfs/dbraw/zinc/80/72/04/487807204.db2.gz DMLBUZGZGIRYSR-UHFFFAOYSA-N -1 3 239.290 2.605 20 0 BFADHM CC(C)C(C)(C)C(=O)[N-]OC1CCCC1 ZINC000784461504 585860860 /nfs/dbraw/zinc/86/08/60/585860860.db2.gz IAEQKHDCNOIJDP-UHFFFAOYSA-N -1 3 213.321 2.659 20 0 BFADHM CCC[C@H](C)CC(=O)[N-]OCCC1CC1 ZINC000817393031 586800352 /nfs/dbraw/zinc/80/03/52/586800352.db2.gz HGOWFTCTJKNBQY-JTQLQIEISA-N -1 3 213.321 2.661 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CC[C@H](C)C2)c1[O-] ZINC000132934150 323016711 /nfs/dbraw/zinc/01/67/11/323016711.db2.gz QUVGYZKNBQHCCP-ONGXEEELSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H]1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000160603313 323073451 /nfs/dbraw/zinc/07/34/51/323073451.db2.gz XMQOVNGBMAHRNO-UWVGGRQHSA-N -1 3 237.299 2.771 20 0 BFADHM C[C@@H]1CC(C)(C)CN1Cc1cc(C(=O)[O-])co1 ZINC000563280148 323107887 /nfs/dbraw/zinc/10/78/87/323107887.db2.gz LNOWJHBWRASDJA-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CCCCN1Cc1csc(C(=O)[O-])c1 ZINC000563279320 323107948 /nfs/dbraw/zinc/10/79/48/323107948.db2.gz RPOGYSMVDKRDQM-SECBINFHSA-N -1 3 239.340 2.821 20 0 BFADHM Cc1oc([C@H](C)N2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000571291906 323140446 /nfs/dbraw/zinc/14/04/46/323140446.db2.gz WTQOCPQWXGSJFO-IUCAKERBSA-N -1 3 237.299 2.689 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc[nH]1 ZINC000188687244 323142498 /nfs/dbraw/zinc/14/24/98/323142498.db2.gz GPYAOPASIPSUAO-BQYQJAHWSA-N -1 3 242.278 2.681 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC[C@H](F)C2)c1F ZINC000571453303 323145375 /nfs/dbraw/zinc/14/53/75/323145375.db2.gz PYQBMYNASBIWOD-QMMMGPOBSA-N -1 3 245.244 2.604 20 0 BFADHM CCCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000048517681 323153701 /nfs/dbraw/zinc/15/37/01/323153701.db2.gz JSJRMVKSKAIXJJ-UHFFFAOYSA-N -1 3 235.327 2.929 20 0 BFADHM Cc1cccc(C(=O)N(C)CC2CCCC2)c1[O-] ZINC000070158373 323169657 /nfs/dbraw/zinc/16/96/57/323169657.db2.gz MMVNENXDKVXFDI-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1nc([N-]C(=O)c2cc(C3CC3)no2)cs1 ZINC000563856885 323181141 /nfs/dbraw/zinc/18/11/41/323181141.db2.gz UIAYJGYXRBCLOL-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM C[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC000070308301 323186220 /nfs/dbraw/zinc/18/62/20/323186220.db2.gz BRKKZPZFUPREHC-JTQLQIEISA-N -1 3 233.311 2.701 20 0 BFADHM Cc1ccc(CC(=O)Nc2ccc(C)cc2[O-])o1 ZINC000536084548 323195818 /nfs/dbraw/zinc/19/58/18/323195818.db2.gz VPGPJTJFPWVJLT-UHFFFAOYSA-N -1 3 245.278 2.783 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000399309065 323203349 /nfs/dbraw/zinc/20/33/49/323203349.db2.gz QVTRGOFNJVWJKI-HNNXBMFYSA-N -1 3 247.338 2.963 20 0 BFADHM CS[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000162854514 324127016 /nfs/dbraw/zinc/12/70/16/324127016.db2.gz LCVISVKJTQICQK-SECBINFHSA-N -1 3 239.340 2.781 20 0 BFADHM O=C([N-]OCC1CC1)Nc1ccc2occc2c1 ZINC000529277823 324268717 /nfs/dbraw/zinc/26/87/17/324268717.db2.gz BOPVXNHVQLWBFF-UHFFFAOYSA-N -1 3 246.266 2.896 20 0 BFADHM CC1(C(=O)[N-]OCC2CC2)CCC(F)(F)CC1 ZINC000529422648 324292591 /nfs/dbraw/zinc/29/25/91/324292591.db2.gz BXWCDCYPFDUUCV-UHFFFAOYSA-N -1 3 247.285 2.660 20 0 BFADHM CCC(CC)CC(=O)Nc1ncccc1[O-] ZINC000128656917 324864785 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326215364 /nfs/dbraw/zinc/21/53/64/326215364.db2.gz BLQKCAJKOSEGKG-SNVBAGLBSA-N -1 3 237.299 2.670 20 0 BFADHM CCCN(C(=O)c1cc([O-])ccc1F)C(C)C ZINC000568763570 326375381 /nfs/dbraw/zinc/37/53/81/326375381.db2.gz PVFYIPNYLGUNHW-UHFFFAOYSA-N -1 3 239.290 2.792 20 0 BFADHM CN(CCC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000399820544 487544286 /nfs/dbraw/zinc/54/42/86/487544286.db2.gz PPWMNGDBKTULAY-UHFFFAOYSA-N -1 3 235.327 2.900 20 0 BFADHM CC[C@@]1(C)CCN(Cc2occc2C(=O)[O-])C1 ZINC000399504491 487488527 /nfs/dbraw/zinc/48/85/27/487488527.db2.gz YXONVSTZHBAWPU-ZDUSSCGKSA-N -1 3 237.299 2.600 20 0 BFADHM C[C@@H](C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000674134796 487524701 /nfs/dbraw/zinc/52/47/01/487524701.db2.gz KCIIDJVFQPLOPN-SECBINFHSA-N -1 3 234.299 2.552 20 0 BFADHM CO[C@H](C)[C@H](C)[N-]c1nc(-c2ccccc2)no1 ZINC000682416070 487952446 /nfs/dbraw/zinc/95/24/46/487952446.db2.gz XAYIUFUKUOSLRG-VHSXEESVSA-N -1 3 247.298 2.572 20 0 BFADHM O=c1[n-]c(-c2cscn2)nc2cccc(F)c12 ZINC000683920818 488245387 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2.662 20 0 BFADHM CCC[C@@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838140766 585046990 /nfs/dbraw/zinc/04/69/90/585046990.db2.gz BOQNHTXBNCIYTG-SECBINFHSA-N -1 3 240.274 2.806 20 0 BFADHM C[C@H]1CN(C([O-])=NOCC2CC2)c2ccccc21 ZINC000838604647 585061320 /nfs/dbraw/zinc/06/13/20/585061320.db2.gz OUIMWWXZXVNYHU-JTQLQIEISA-N -1 3 246.310 2.661 20 0 BFADHM C[C@H]1CN(C(=O)[N-]OCC2CC2)c2ccccc21 ZINC000838604647 585061321 /nfs/dbraw/zinc/06/13/21/585061321.db2.gz OUIMWWXZXVNYHU-JTQLQIEISA-N -1 3 246.310 2.661 20 0 BFADHM Cc1cccc([C@@H](C)C[N-]C(=O)C(F)(F)F)c1 ZINC000741236665 585111283 /nfs/dbraw/zinc/11/12/83/585111283.db2.gz ZRYDFYWHBVPCJO-VIFPVBQESA-N -1 3 245.244 2.777 20 0 BFADHM CCOc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742221328 585123322 /nfs/dbraw/zinc/12/33/22/585123322.db2.gz ITEWXNBFLZLJON-YVMONPNESA-N -1 3 242.278 2.751 20 0 BFADHM O=c1ccnc(C=Cc2cc(F)ccc2F)[n-]1 ZINC000742221428 585123447 /nfs/dbraw/zinc/12/34/47/585123447.db2.gz JSUIVQQBGOCCAP-DAFODLJHSA-N -1 3 234.205 2.631 20 0 BFADHM CCC1(C(=O)[N-]OCc2cccnc2)CCCC1 ZINC000747166619 585176078 /nfs/dbraw/zinc/17/60/78/585176078.db2.gz CRHFCFYCDMOZFA-UHFFFAOYSA-N -1 3 248.326 2.600 20 0 BFADHM O=C([N-]OCc1ccccc1)[C@H]1CC12CCCC2 ZINC000747350354 585178249 /nfs/dbraw/zinc/17/82/49/585178249.db2.gz TYCBBYPTJFWVQH-CYBMUJFWSA-N -1 3 245.322 2.815 20 0 BFADHM CCO[N-]C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000747412215 585178670 /nfs/dbraw/zinc/17/86/70/585178670.db2.gz MPFIJKSRLFWXBX-GHMZBOCLSA-N -1 3 239.702 2.511 20 0 BFADHM CCCC[C@@H](CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000749619295 585204227 /nfs/dbraw/zinc/20/42/27/585204227.db2.gz MMUYFBKOHOPBLI-VXGBXAGGSA-N -1 3 243.347 2.777 20 0 BFADHM CCc1cc(NC(=O)c2cc3occc3[n-]2)no1 ZINC000750887709 585221067 /nfs/dbraw/zinc/22/10/67/585221067.db2.gz WTGXUTROHSHXQZ-UHFFFAOYSA-N -1 3 245.238 2.564 20 0 BFADHM CS/C=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000751532429 585232016 /nfs/dbraw/zinc/23/20/16/585232016.db2.gz BOARTHQFDLVVGV-AATRIKPKSA-N -1 3 223.297 2.516 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2Cl)n1 ZINC000752888526 585251026 /nfs/dbraw/zinc/25/10/26/585251026.db2.gz ZQMHDXJSQUJRCS-PLNGDYQASA-N -1 3 247.685 2.709 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C=C2CCCC2)n1 ZINC000753466018 585259254 /nfs/dbraw/zinc/25/92/54/585259254.db2.gz PBPJXRNNHYBRFV-UHFFFAOYSA-N -1 3 232.283 2.535 20 0 BFADHM CCC(CC)OC(=O)c1ccc([O-])cc1 ZINC000754753892 585290439 /nfs/dbraw/zinc/29/04/39/585290439.db2.gz WGQJRNLKFLABMN-UHFFFAOYSA-N -1 3 208.257 2.738 20 0 BFADHM Cc1csc(COC(=O)c2ccc([O-])cc2)n1 ZINC000756338297 585318037 /nfs/dbraw/zinc/31/80/37/585318037.db2.gz XKTMZUGQKDPBLQ-UHFFFAOYSA-N -1 3 249.291 2.514 20 0 BFADHM CON(C(=O)c1cc(C)ccc1[O-])C1CCCC1 ZINC000757636986 585343550 /nfs/dbraw/zinc/34/35/50/585343550.db2.gz HYPOWIWQVAXJFI-UHFFFAOYSA-N -1 3 249.310 2.647 20 0 BFADHM O=C([N-]c1nncs1)c1cc(Cl)cs1 ZINC000757896572 585346463 /nfs/dbraw/zinc/34/64/63/585346463.db2.gz FURNEUYOHNNDJI-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM CCSCCOC(=O)c1ccc([O-])cc1C ZINC000758513919 585356867 /nfs/dbraw/zinc/35/68/67/585356867.db2.gz GHCCRWOABPULDA-UHFFFAOYSA-N -1 3 240.324 2.611 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OC/C=C\Cl ZINC000758534561 585356990 /nfs/dbraw/zinc/35/69/90/585356990.db2.gz DBAPGKYRUUSCNX-DJWKRKHSSA-N -1 3 226.659 2.610 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OCCC(F)(F)F ZINC000758532963 585357122 /nfs/dbraw/zinc/35/71/22/585357122.db2.gz ZVJVCAFTIXIELA-UHFFFAOYSA-N -1 3 248.200 2.810 20 0 BFADHM CCCCC[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000759331940 585368269 /nfs/dbraw/zinc/36/82/69/585368269.db2.gz WDHQQXLBKGESBY-SECBINFHSA-N -1 3 237.290 2.906 20 0 BFADHM CC(C)CC1(C(=O)[N-]OCC(F)F)CCC1 ZINC000759340618 585369398 /nfs/dbraw/zinc/36/93/98/585369398.db2.gz XPDQLMGJDILKSF-UHFFFAOYSA-N -1 3 235.274 2.516 20 0 BFADHM Cc1cccc(C(=O)N[C@@H](C)c2ccc[nH]2)c1[O-] ZINC000760731274 585396549 /nfs/dbraw/zinc/39/65/49/585396549.db2.gz YFBXHTDPXRZGCD-JTQLQIEISA-N -1 3 244.294 2.520 20 0 BFADHM CCC1(CC)CCN(Cc2nc(C)cc(=O)[n-]2)C1 ZINC000761907095 585422866 /nfs/dbraw/zinc/42/28/66/585422866.db2.gz XTZBFKRKSTYFAG-UHFFFAOYSA-N -1 3 249.358 2.503 20 0 BFADHM O=C(C=C1CCCC1)Nc1cc(F)ccc1[O-] ZINC000762818528 585437803 /nfs/dbraw/zinc/43/78/03/585437803.db2.gz MCXZAOVTGXTTHQ-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM O=C(OC/C(Cl)=C/Cl)c1ccc([O-])cc1 ZINC000763864015 585455657 /nfs/dbraw/zinc/45/56/57/585455657.db2.gz ZWDCFVRHDIBQDW-YVMONPNESA-N -1 3 247.077 2.868 20 0 BFADHM O=C(OCC1CC1)c1cc(-c2cccs2)[n-]n1 ZINC000763934548 585457384 /nfs/dbraw/zinc/45/73/84/585457384.db2.gz MZQOKDDCXNUDQO-UHFFFAOYSA-N -1 3 248.307 2.705 20 0 BFADHM O=C(OCC1CC1)c1cc(-c2cccs2)n[n-]1 ZINC000763934548 585457385 /nfs/dbraw/zinc/45/73/85/585457385.db2.gz MZQOKDDCXNUDQO-UHFFFAOYSA-N -1 3 248.307 2.705 20 0 BFADHM Cc1ccc(F)c(C=Cc2nccc(=O)[n-]2)c1 ZINC000764433112 585465301 /nfs/dbraw/zinc/46/53/01/585465301.db2.gz CFNBMNRSQIMCOA-HYXAFXHYSA-N -1 3 230.242 2.800 20 0 BFADHM Cc1cc(C=Cc2nccc(=O)[n-]2)cc(C)c1O ZINC000764435703 585465625 /nfs/dbraw/zinc/46/56/25/585465625.db2.gz PIBZSUMADACNMB-ARJAWSKDSA-N -1 3 242.278 2.675 20 0 BFADHM C/C=C\C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000768662946 585541692 /nfs/dbraw/zinc/54/16/92/585541692.db2.gz DXFVEMLWDPJOHC-ATPLWMGHSA-N -1 3 231.295 2.809 20 0 BFADHM C/C=C/C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000768662950 585541699 /nfs/dbraw/zinc/54/16/99/585541699.db2.gz DXFVEMLWDPJOHC-RXNUUUNCSA-N -1 3 231.295 2.809 20 0 BFADHM Cc1cc(NC(=O)c2ccc(C)c(C)c2[O-])no1 ZINC000769627267 585560921 /nfs/dbraw/zinc/56/09/21/585560921.db2.gz IBGZZVZNWQKOEI-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM Cc1noc([N-]C(=O)[C@H](F)c2ccccc2)c1C ZINC000769654093 585561159 /nfs/dbraw/zinc/56/11/59/585561159.db2.gz QREYPCHBLKMRPP-LLVKDONJSA-N -1 3 248.257 2.941 20 0 BFADHM CCCCC[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000769688201 585561811 /nfs/dbraw/zinc/56/18/11/585561811.db2.gz IVZHUXWKIXNENI-QMMMGPOBSA-N -1 3 242.344 2.547 20 0 BFADHM Cc1cc(=O)[n-]c(CN(CC2CCC2)C(C)C)n1 ZINC000769924271 585566629 /nfs/dbraw/zinc/56/66/29/585566629.db2.gz CMFZHXZMKJIIMH-UHFFFAOYSA-N -1 3 249.358 2.501 20 0 BFADHM CCC[C@H](C)OC(=O)c1c([O-])cccc1F ZINC000772583618 585618566 /nfs/dbraw/zinc/61/85/66/585618566.db2.gz YGVDGTSHCYBSTC-QMMMGPOBSA-N -1 3 226.247 2.877 20 0 BFADHM O=C(OC1CCCC1)c1c([O-])cccc1F ZINC000772594514 585618703 /nfs/dbraw/zinc/61/87/03/585618703.db2.gz VGWZHYXOSAQWJA-UHFFFAOYSA-N -1 3 224.231 2.631 20 0 BFADHM CCN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000773771762 585643579 /nfs/dbraw/zinc/64/35/79/585643579.db2.gz LYCMCZUCXOGMSH-UHFFFAOYSA-N -1 3 235.308 2.699 20 0 BFADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]OC1CCCC1 ZINC000773865795 585645262 /nfs/dbraw/zinc/64/52/62/585645262.db2.gz MHMVWKPLLHVWFS-AAEUAGOBSA-N -1 3 225.332 2.659 20 0 BFADHM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]OC1CCCC1 ZINC000773865797 585645322 /nfs/dbraw/zinc/64/53/22/585645322.db2.gz MHMVWKPLLHVWFS-WCQYABFASA-N -1 3 225.332 2.659 20 0 BFADHM O=C(CCc1ccco1)[N-]OC1CCCCC1 ZINC000777959936 585724466 /nfs/dbraw/zinc/72/44/66/585724466.db2.gz KCNFFYBEEVJFKP-UHFFFAOYSA-N -1 3 237.299 2.593 20 0 BFADHM Cc1cc(C(=O)OCc2cscn2)ccc1[O-] ZINC000778855279 585741499 /nfs/dbraw/zinc/74/14/99/585741499.db2.gz AQJWEYWEXKITHP-UHFFFAOYSA-N -1 3 249.291 2.514 20 0 BFADHM CCSCCOC(=O)c1ccc([O-])c(C)c1 ZINC000778852276 585741587 /nfs/dbraw/zinc/74/15/87/585741587.db2.gz BXTAUKMQMXRENJ-UHFFFAOYSA-N -1 3 240.324 2.611 20 0 BFADHM O=C([N-]OC1CCCCC1)C12CCC(CC1)C2 ZINC000779318913 585750888 /nfs/dbraw/zinc/75/08/88/585750888.db2.gz ZPXTWJBPGUIECI-UHFFFAOYSA-N -1 3 237.343 2.947 20 0 BFADHM Cc1cccc(O)c1NC(=O)c1cccc([O-])c1 ZINC000781013645 585788561 /nfs/dbraw/zinc/78/85/61/585788561.db2.gz DMYPHTOINMSUCD-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CCc1cccc(C(=O)N[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000781616495 585800491 /nfs/dbraw/zinc/80/04/91/585800491.db2.gz OYIOFYAPIQZCJO-PWSUYJOCSA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000781616496 585800594 /nfs/dbraw/zinc/80/05/94/585800594.db2.gz OYIOFYAPIQZCJO-ZYHUDNBSSA-N -1 3 247.338 2.873 20 0 BFADHM CC(=O)[N-]OCCc1cc(Cl)ccc1Cl ZINC000783030268 585827057 /nfs/dbraw/zinc/82/70/57/585827057.db2.gz QPTPAGSKWOISHK-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM CCC/C=C/C(=O)Nc1ccc(OC)cc1[O-] ZINC000785427309 585873630 /nfs/dbraw/zinc/87/36/30/585873630.db2.gz JTXCEBNZJDDXTN-AATRIKPKSA-N -1 3 235.283 2.696 20 0 BFADHM CC(C)COC(=O)c1cc([O-])ccc1Cl ZINC000785868568 585882266 /nfs/dbraw/zinc/88/22/66/585882266.db2.gz HVIKJNICVORCRN-UHFFFAOYSA-N -1 3 228.675 2.858 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC1CCCC1 ZINC000786342760 585890054 /nfs/dbraw/zinc/89/00/54/585890054.db2.gz JXFWBQCFCDAGRS-UHFFFAOYSA-N -1 3 236.315 2.941 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OC1CCCC1 ZINC000786342760 585890055 /nfs/dbraw/zinc/89/00/55/585890055.db2.gz JXFWBQCFCDAGRS-UHFFFAOYSA-N -1 3 236.315 2.941 20 0 BFADHM C/C=C(/CC)C(=O)Nc1ccc(OC)cc1[O-] ZINC000789853702 585951504 /nfs/dbraw/zinc/95/15/04/585951504.db2.gz QYKBRQYXPWNODY-WTKPLQERSA-N -1 3 235.283 2.696 20 0 BFADHM O=C(OCCCCCF)c1ccc([O-])cc1 ZINC000791497900 585982311 /nfs/dbraw/zinc/98/23/11/585982311.db2.gz SXUUGOBKQTXOEP-UHFFFAOYSA-N -1 3 226.247 2.689 20 0 BFADHM CC1CCC(C)(C[N-]C(=O)C(F)(F)F)CC1 ZINC000794022513 586030901 /nfs/dbraw/zinc/03/09/01/586030901.db2.gz UZFKRHAOIAIMMD-UHFFFAOYSA-N -1 3 237.265 2.881 20 0 BFADHM CCCC[C@@H](C)C(=O)[N-]OC[C@@H](C)CC ZINC000794842517 586050420 /nfs/dbraw/zinc/05/04/20/586050420.db2.gz KMYAOLPGEQCHAG-WDEREUQCSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC1CC(C)(C)C1 ZINC000794841444 586050537 /nfs/dbraw/zinc/05/05/37/586050537.db2.gz CYKMJFDDFGWYOC-JTQLQIEISA-N -1 3 227.348 2.907 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC1CCCC1 ZINC000794849289 586050796 /nfs/dbraw/zinc/05/07/96/586050796.db2.gz FSVYZVKTNNROIJ-SNVBAGLBSA-N -1 3 213.321 2.661 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccccc1 ZINC000794843964 586050851 /nfs/dbraw/zinc/05/08/51/586050851.db2.gz UBGDPGAXYMOWIX-GFCCVEGCSA-N -1 3 235.327 2.713 20 0 BFADHM CCc1ccccc1CC(=O)[N-]OC[C@@H](C)CC ZINC000794854865 586051383 /nfs/dbraw/zinc/05/13/83/586051383.db2.gz SPMUZMHNRXHUHK-LBPRGKRZSA-N -1 3 249.354 2.885 20 0 BFADHM CC[C@H](C)CCC(=O)[N-]OC1CCCC1 ZINC000803030529 586331769 /nfs/dbraw/zinc/33/17/69/586331769.db2.gz XGWUKBKERFNMFB-JTQLQIEISA-N -1 3 213.321 2.803 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OCCCCF ZINC000803454445 586357842 /nfs/dbraw/zinc/35/78/42/586357842.db2.gz DSNVMCXZEVUIOM-UHFFFAOYSA-N -1 3 242.294 2.748 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OCCCCF ZINC000803454445 586357846 /nfs/dbraw/zinc/35/78/46/586357846.db2.gz DSNVMCXZEVUIOM-UHFFFAOYSA-N -1 3 242.294 2.748 20 0 BFADHM O=C(OCCCCF)c1cc([O-])ccc1Cl ZINC000803493272 586361513 /nfs/dbraw/zinc/36/15/13/586361513.db2.gz KLXNCSZRFXQIKK-UHFFFAOYSA-N -1 3 246.665 2.952 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OC[C@H]1C[C@H]1C ZINC000859611063 589048668 /nfs/dbraw/zinc/04/86/68/589048668.db2.gz MSAKVKNANCVRSK-PSASIEDQSA-N -1 3 220.268 2.513 20 0 BFADHM 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/nfs/dbraw/zinc/66/92/19/529669219.db2.gz DKEMHFDKHQLIQA-DMEOUFDRSA-N -1 3 237.299 2.695 20 0 BFADHM Cc1cc(C)nc(NC(=O)c2cccc([O-])c2)c1 ZINC000130184639 343180183 /nfs/dbraw/zinc/18/01/83/343180183.db2.gz HXJZRIHWOWESEF-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(C(=O)Nc2cc(C)ccn2)c([O-])c1 ZINC000019844298 187243755 /nfs/dbraw/zinc/24/37/55/187243755.db2.gz ITHSBJNRGFGIMU-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H](CNc1ccnc2ccccc21)CC(=O)[O-] ZINC000147434589 343197862 /nfs/dbraw/zinc/19/78/62/343197862.db2.gz VGKGOQCULHHJLU-SNVBAGLBSA-N -1 3 244.294 2.758 20 0 BFADHM C[C@@H](NC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000133961524 343186866 /nfs/dbraw/zinc/18/68/66/343186866.db2.gz RRGHMCGVOPZHOX-SECBINFHSA-N -1 3 221.300 2.557 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC=CCC2)c1 ZINC000625311179 343231992 /nfs/dbraw/zinc/23/19/92/343231992.db2.gz WLABWIMZUJQQGP-UHFFFAOYSA-N -1 3 223.703 2.808 20 0 BFADHM CCCCN(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000051330601 343255932 /nfs/dbraw/zinc/25/59/32/343255932.db2.gz MUBKLGXCXVIQFG-UHFFFAOYSA-N -1 3 237.299 2.742 20 0 BFADHM CC[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000037022029 343331142 /nfs/dbraw/zinc/33/11/42/343331142.db2.gz CPRZWXNEMCCFJM-LBPRGKRZSA-N -1 3 233.311 2.797 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000134989734 343352214 /nfs/dbraw/zinc/35/22/14/343352214.db2.gz XVDBILXXJMNWIW-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(NC(=O)C[C@H]2C[C@H]2C)c([O-])c1 ZINC000335673454 136317578 /nfs/dbraw/zinc/31/75/78/136317578.db2.gz IKWVSECLESTISU-NXEZZACHSA-N -1 3 219.284 2.685 20 0 BFADHM CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000042341060 343435140 /nfs/dbraw/zinc/43/51/40/343435140.db2.gz MUBNRMGYWCOMKE-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM Cc1cc(C(=O)N(C)C2CC(C)(C)C2)ccc1[O-] ZINC000335655298 136376389 /nfs/dbraw/zinc/37/63/89/136376389.db2.gz DBSJTUVYZMVSQU-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000049357537 343596672 /nfs/dbraw/zinc/59/66/72/343596672.db2.gz JSAFEXZGTHMPTA-NKWVEPMBSA-N -1 3 245.681 2.603 20 0 BFADHM CCCNc1[n-]c(=O)c(Cl)cc1Cl ZINC000226626685 343740604 /nfs/dbraw/zinc/74/06/04/343740604.db2.gz VTWQSBZKZPCCKI-UHFFFAOYSA-N -1 3 221.087 2.916 20 0 BFADHM C[C@H]1CN(Cc2cc([O-])ccc2Cl)[C@H]1C ZINC000625447870 343772080 /nfs/dbraw/zinc/77/20/80/343772080.db2.gz AUDMBGLKNYRMNG-IUCAKERBSA-N -1 3 225.719 2.886 20 0 BFADHM Cc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1C1CC1 ZINC000634599062 537833691 /nfs/dbraw/zinc/83/36/91/537833691.db2.gz ZVNQCXZOJSCQEZ-SMDDNHRTSA-N -1 3 242.322 2.992 20 0 BFADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC000628102346 343941089 /nfs/dbraw/zinc/94/10/89/343941089.db2.gz WFDRQECRBJDAMI-LLVKDONJSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000625786936 344074174 /nfs/dbraw/zinc/07/41/74/344074174.db2.gz RMDWMFYDYMXTRS-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC=CCC1 ZINC000625721380 344055473 /nfs/dbraw/zinc/05/54/73/344055473.db2.gz LHQOWWUFZDYGSA-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM CCc1onc(C)c1C(=O)Nc1ccccc1[O-] ZINC000132568528 344481840 /nfs/dbraw/zinc/48/18/40/344481840.db2.gz SRHZMHVRWDWFFJ-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000160605312 323073587 /nfs/dbraw/zinc/07/35/87/323073587.db2.gz CROZHNAYSLIWHO-JTQLQIEISA-N -1 3 237.299 2.518 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1c(C)cccc1[O-] ZINC000625958313 344597324 /nfs/dbraw/zinc/59/73/24/344597324.db2.gz XFULCDKAMICROP-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@@H]1C ZINC000625986826 344652452 /nfs/dbraw/zinc/65/24/52/344652452.db2.gz VIZDWMDBUSWWPU-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)C[C@@H]1CC1(C)C ZINC000628167481 344877981 /nfs/dbraw/zinc/87/79/81/344877981.db2.gz PFFWFFRHEYJDGI-NSHDSACASA-N -1 3 247.338 2.819 20 0 BFADHM CC(C)CO[N-]C(=O)c1c(F)cccc1Cl ZINC000135162087 187298499 /nfs/dbraw/zinc/29/84/99/187298499.db2.gz ZNXNKCMNVNGKPJ-UHFFFAOYSA-N -1 3 245.681 2.797 20 0 BFADHM O=C([O-])CCCCNCc1sccc1Cl ZINC000635312564 345303595 /nfs/dbraw/zinc/30/35/95/345303595.db2.gz BCZLEWWJIGVTTD-UHFFFAOYSA-N -1 3 247.747 2.746 20 0 BFADHM [O-]c1cc(F)cc(CNCCC(F)(F)F)c1 ZINC000159600642 345445565 /nfs/dbraw/zinc/44/55/65/345445565.db2.gz CMSNCMHVBHMXRO-UHFFFAOYSA-N -1 3 237.196 2.573 20 0 BFADHM CCCCN(C)C(=O)c1cccc(CC)c1[O-] ZINC000081932495 345504325 /nfs/dbraw/zinc/50/43/25/345504325.db2.gz UKBNLOBCMVGDRC-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM O=C([O-])c1cccc(CN2CCCC2)c1Cl ZINC000211252572 345736995 /nfs/dbraw/zinc/73/69/95/345736995.db2.gz WMXQILGCKZXKNG-UHFFFAOYSA-N -1 3 239.702 2.634 20 0 BFADHM FC(F)(F)c1c[n-]c(=NC[C@H]2CC23CC3)s1 ZINC000418973256 192092972 /nfs/dbraw/zinc/09/29/72/192092972.db2.gz DEPBUGTUICJFLO-ZCFIWIBFSA-N -1 3 248.273 2.796 20 0 BFADHM FC(F)(F)c1c[n-]c(=NC[C@@H]2CC23CC3)s1 ZINC000418973255 192093086 /nfs/dbraw/zinc/09/30/86/192093086.db2.gz DEPBUGTUICJFLO-LURJTMIESA-N -1 3 248.273 2.796 20 0 BFADHM Cc1cccc(C(=O)N(C)CC2CCC2)c1[O-] ZINC000061482191 179003893 /nfs/dbraw/zinc/00/38/93/179003893.db2.gz UQQYFVGDPDOGTN-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N2CCCCCC2)c1[O-] ZINC000019837518 179007662 /nfs/dbraw/zinc/00/76/62/179007662.db2.gz CHRHWVCQELOHBK-UHFFFAOYSA-N -1 3 233.311 2.717 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000050566641 179008370 /nfs/dbraw/zinc/00/83/70/179008370.db2.gz BZBYOTOCUROLIM-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c1[O-] ZINC000153726429 179011125 /nfs/dbraw/zinc/01/11/25/179011125.db2.gz GMMGHQHHGOLVEU-JQWIXIFHSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000019840062 179012213 /nfs/dbraw/zinc/01/22/13/179012213.db2.gz ZUMRDLRXCZDXKB-QWRGUYRKSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1[C@@H]2CCC[C@H]12 ZINC000179560471 179159940 /nfs/dbraw/zinc/15/99/40/179159940.db2.gz ACUODLOKSGQHSR-DHHPTOIESA-N -1 3 231.295 2.685 20 0 BFADHM Cc1ccc(CC(=O)Nc2ccccc2[O-])s1 ZINC000067287694 370652578 /nfs/dbraw/zinc/65/25/78/370652578.db2.gz WMLNEYCXEUWKPC-UHFFFAOYSA-N -1 3 247.319 2.943 20 0 BFADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])nc1 ZINC000019836549 347294277 /nfs/dbraw/zinc/29/42/77/347294277.db2.gz CYXGOBCXRRPDCV-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)c1cccs1 ZINC000082879348 348917781 /nfs/dbraw/zinc/91/77/81/348917781.db2.gz YLHSZEXYXSGLSW-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM CCC(CC)CNC(=O)c1ccc(C)cc1[O-] ZINC000134382570 323201963 /nfs/dbraw/zinc/20/19/63/323201963.db2.gz IJLLTZRTTMTPNR-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)[C@H]1C ZINC000251611076 349189742 /nfs/dbraw/zinc/18/97/42/349189742.db2.gz CCMZHXYVTVEYBL-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM CCc1cc(C(=O)NC[C@H](C)CC)ccc1[O-] ZINC000421907222 192405833 /nfs/dbraw/zinc/40/58/33/192405833.db2.gz CLFXNGPIDHEUHQ-SNVBAGLBSA-N -1 3 235.327 2.731 20 0 BFADHM C[C@H]1CCCN(Cc2ccoc2C(=O)[O-])[C@H]1C ZINC000252218488 349199103 /nfs/dbraw/zinc/19/91/03/349199103.db2.gz YKBYOKDGEKMKDI-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM CCO[N-]C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000268760690 490279795 /nfs/dbraw/zinc/27/97/95/490279795.db2.gz ZYUCCCCYKQDGEY-UHFFFAOYSA-N -1 3 235.327 2.594 20 0 BFADHM Cc1ncccc1NCc1cc([O-])cc(F)c1 ZINC000223138919 180226882 /nfs/dbraw/zinc/22/68/82/180226882.db2.gz HBZRKOPHBRQZNZ-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000035238846 358456638 /nfs/dbraw/zinc/45/66/38/358456638.db2.gz GSWLGFZMSTZVQF-LLVKDONJSA-N -1 3 233.311 2.654 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000226716228 350450023 /nfs/dbraw/zinc/45/00/23/350450023.db2.gz NTBBKZKDLFFWDZ-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1C1CCC1 ZINC000563252199 350738997 /nfs/dbraw/zinc/73/89/97/350738997.db2.gz BHEXUGPPTJBLEX-WDEREUQCSA-N -1 3 249.285 2.906 20 0 BFADHM CC(C)c1coc([N-]C(=O)c2nccs2)n1 ZINC000637633187 351007045 /nfs/dbraw/zinc/00/70/45/351007045.db2.gz VVGTXMPGOSCWTN-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM CC(C)(C)Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000335847260 538101212 /nfs/dbraw/zinc/10/12/12/538101212.db2.gz PVBUTNKZSBVSIR-UHFFFAOYSA-N -1 3 232.283 2.630 20 0 BFADHM CCCC[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000282799773 351944609 /nfs/dbraw/zinc/94/46/09/351944609.db2.gz RVECPZDYBUUFKM-SECBINFHSA-N -1 3 222.288 2.552 20 0 BFADHM CCc1cc(C(=O)N[C@@H](CC)C2CC2)ccc1[O-] ZINC000618873874 351989403 /nfs/dbraw/zinc/98/94/03/351989403.db2.gz HLEXUNSZIFTECO-ZDUSSCGKSA-N -1 3 247.338 2.873 20 0 BFADHM CC(C)c1cc(C(=O)Nc2ccccc2[O-])on1 ZINC000073067251 352005518 /nfs/dbraw/zinc/00/55/18/352005518.db2.gz MPFVTOJCLHKOTG-UHFFFAOYSA-N -1 3 246.266 2.756 20 0 BFADHM CC1(C)CC[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000613331672 363111000 /nfs/dbraw/zinc/11/10/00/363111000.db2.gz MFPQKZVYKHESBG-SECBINFHSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613332858 363112783 /nfs/dbraw/zinc/11/27/83/363112783.db2.gz YGBZYYVFPXKYPC-BRPSZJMVSA-N -1 3 235.258 2.516 20 0 BFADHM CCC(CC)(CC)C[N-]C(=O)C(F)(F)F ZINC000307353077 352298144 /nfs/dbraw/zinc/29/81/44/352298144.db2.gz VTEOWNJDBHEDBX-UHFFFAOYSA-N -1 3 225.254 2.881 20 0 BFADHM Cc1ccc(NC(=O)[C@@H](C)CC(F)F)c([O-])c1 ZINC000411197257 191169599 /nfs/dbraw/zinc/16/95/99/191169599.db2.gz COXRZJFWBDYZHX-QMMMGPOBSA-N -1 3 243.253 2.930 20 0 BFADHM Cc1coc(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC000334251639 352887765 /nfs/dbraw/zinc/88/77/65/352887765.db2.gz KPVOAYGHQRFLNJ-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CCN(C(=O)c1ccc([O-])c(C)c1)C1CCC1 ZINC000334311709 352943589 /nfs/dbraw/zinc/94/35/89/352943589.db2.gz GWRANFRATBTUQF-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CC(C)CO[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC000156536355 188334087 /nfs/dbraw/zinc/33/40/87/188334087.db2.gz XMJOUWWDFFUFMR-UHFFFAOYSA-N -1 3 247.338 2.713 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000334804749 354561234 /nfs/dbraw/zinc/56/12/34/354561234.db2.gz SVIGADJRZGGTKH-APPZFPTMSA-N -1 3 241.237 2.540 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC[C@@H](C)C2)n1 ZINC000345938281 354814398 /nfs/dbraw/zinc/81/43/98/354814398.db2.gz MAXGBPMRZNSACN-KOLCDFICSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000345938284 354814486 /nfs/dbraw/zinc/81/44/86/354814486.db2.gz MAXGBPMRZNSACN-MWLCHTKSSA-N -1 3 248.326 2.860 20 0 BFADHM CCC1(C(=O)Nc2nc(C)ccc2[O-])CCC1 ZINC000346004267 354837733 /nfs/dbraw/zinc/83/77/33/354837733.db2.gz YCNGBMAVCICOLG-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CCC[C@@H](F)C1 ZINC000335171796 354936309 /nfs/dbraw/zinc/93/63/09/354936309.db2.gz GDFBNCYMOJKCBO-VHSXEESVSA-N -1 3 237.274 2.859 20 0 BFADHM C[C@H]1C[C@H]1CC(=O)Nc1cccc([O-])c1F ZINC000335185393 355083891 /nfs/dbraw/zinc/08/38/91/355083891.db2.gz CFYCHFBHBUDRMA-YUMQZZPRSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1nc(C(=O)Nc2ccc(C)cc2[O-])c(C)o1 ZINC000335836683 355564783 /nfs/dbraw/zinc/56/47/83/355564783.db2.gz NQMMMYGBOZZAPN-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CCc1occc1C(=O)Nc1cc(F)ccc1[O-] ZINC000335865901 355629969 /nfs/dbraw/zinc/62/99/69/355629969.db2.gz YSCVFMREFXKQBV-UHFFFAOYSA-N -1 3 249.241 2.939 20 0 BFADHM CCN(C(=O)c1cc(C)ccc1[O-])C1CCC1 ZINC000336144223 134101474 /nfs/dbraw/zinc/10/14/74/134101474.db2.gz WQLNPQBXFWINJO-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CCN(C(=O)c1cccc(C)c1[O-])C1CCC1 ZINC000336144222 134101532 /nfs/dbraw/zinc/10/15/32/134101532.db2.gz WOPCGLKEVDWWSI-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1ncoc1C(=O)[N-]c1ccsc1Cl ZINC000336162067 134111675 /nfs/dbraw/zinc/11/16/75/134111675.db2.gz RPPBYOCSNPMDGZ-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM Cc1cccc([O-])c1NC(=O)Cc1cccs1 ZINC000179558372 366269326 /nfs/dbraw/zinc/26/93/26/366269326.db2.gz LODINUAOLSNURG-UHFFFAOYSA-N -1 3 247.319 2.943 20 0 BFADHM CCO[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000350580035 366303192 /nfs/dbraw/zinc/30/31/92/366303192.db2.gz OPRJTTLYOJDIDC-MRVPVSSYSA-N -1 3 234.255 2.540 20 0 BFADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cc(F)ccc1[O-] ZINC000450044923 202071263 /nfs/dbraw/zinc/07/12/63/202071263.db2.gz OOANUDFVRZVIRZ-ATZCPNFKSA-N -1 3 249.285 2.906 20 0 BFADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C1CC1 ZINC000324110557 356740945 /nfs/dbraw/zinc/74/09/45/356740945.db2.gz NOHDYDQTQAMYFF-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM CCCN(CC1CC1)C(=O)c1c(C)cccc1[O-] ZINC000623400982 357042712 /nfs/dbraw/zinc/04/27/12/357042712.db2.gz MBUNQJWLCVNUMW-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(Cl)c1CN(C)CCC(=O)[O-] ZINC000583705248 357284379 /nfs/dbraw/zinc/28/43/79/357284379.db2.gz OTHGULCTXUWWGO-UHFFFAOYSA-N -1 3 241.718 2.555 20 0 BFADHM CC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000011639228 357441359 /nfs/dbraw/zinc/44/13/59/357441359.db2.gz OKHKYXDZZOREDZ-NSHDSACASA-N -1 3 233.311 2.797 20 0 BFADHM [O-]c1cccnc1CNC1(c2ccccc2)CC1 ZINC000582752138 357380786 /nfs/dbraw/zinc/38/07/86/357380786.db2.gz ODGCLQUDDMHNGG-UHFFFAOYSA-N -1 3 240.306 2.566 20 0 BFADHM C[C@H]1CC[C@H](c2noc(-c3ccccc3[O-])n2)O1 ZINC000398336272 357883549 /nfs/dbraw/zinc/88/35/49/357883549.db2.gz IFXVKEPUSWNAJO-GZMMTYOYSA-N -1 3 246.266 2.682 20 0 BFADHM CC1(C)CCN1Cc1cc([O-])cc(F)c1 ZINC000546741834 325307934 /nfs/dbraw/zinc/30/79/34/325307934.db2.gz DFEPCYKUBYODIO-UHFFFAOYSA-N -1 3 209.264 2.516 20 0 BFADHM CCCN(Cc1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC000036812842 358053056 /nfs/dbraw/zinc/05/30/56/358053056.db2.gz JOUNKHGAKCYTEL-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM Cc1ccc(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000085203782 134248297 /nfs/dbraw/zinc/24/82/97/134248297.db2.gz AREKSVFCSBRGLQ-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM Cc1nocc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000584786224 358182922 /nfs/dbraw/zinc/18/29/22/358182922.db2.gz DNNFKDSVLWEPJA-SNAWJCMRSA-N -1 3 243.266 2.526 20 0 BFADHM C[C@H](CN(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC000042489052 358349701 /nfs/dbraw/zinc/34/97/01/358349701.db2.gz XMUUHMPVVYQZMJ-SSDOTTSWSA-N -1 3 247.747 2.554 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1C[C@H](C)C[C@H]1C ZINC000229313490 358402447 /nfs/dbraw/zinc/40/24/47/358402447.db2.gz AVXXVVCBXYWBKP-RKDXNWHRSA-N -1 3 237.299 2.517 20 0 BFADHM CCc1cc2c([n-]c(-c3ccco3)nc2=O)s1 ZINC000047681995 358598056 /nfs/dbraw/zinc/59/80/56/358598056.db2.gz BNGBGEMDOUAZDF-UHFFFAOYSA-N -1 3 246.291 2.807 20 0 BFADHM Cc1ccc(C(=O)Nc2cnccc2C)c([O-])c1 ZINC000071414415 359079431 /nfs/dbraw/zinc/07/94/31/359079431.db2.gz OWNMAYTUJGMLCG-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000247438484 359221078 /nfs/dbraw/zinc/22/10/78/359221078.db2.gz IRSIBBJJBFRDAY-FOGDFJRCSA-N -1 3 249.358 2.530 20 0 BFADHM C[C@@H](C1CC1)N(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000572889203 359352369 /nfs/dbraw/zinc/35/23/69/359352369.db2.gz CYDFWMKGGLCCSI-VIFPVBQESA-N -1 3 249.310 2.741 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC(C)=C(C)C1 ZINC000626807103 359722171 /nfs/dbraw/zinc/72/21/71/359722171.db2.gz BHTKYULQIFVGFH-UHFFFAOYSA-N -1 3 245.322 2.883 20 0 BFADHM c1coc(-c2cc(-c3nc(C4CC4)no3)n[n-]2)c1 ZINC000045894612 359743089 /nfs/dbraw/zinc/74/30/89/359743089.db2.gz AIUDROCBXXXDPL-UHFFFAOYSA-N -1 3 242.238 2.597 20 0 BFADHM c1coc(-c2cc(-c3nc(C4CC4)no3)[n-]n2)c1 ZINC000045894612 359743097 /nfs/dbraw/zinc/74/30/97/359743097.db2.gz AIUDROCBXXXDPL-UHFFFAOYSA-N -1 3 242.238 2.597 20 0 BFADHM Cc1cc([C@H](C)N2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000578899734 366671282 /nfs/dbraw/zinc/67/12/82/366671282.db2.gz DHTYEAJGOAOKPP-SCZZXKLOSA-N -1 3 237.299 2.689 20 0 BFADHM O=C(CCCF)Nc1ccc(Cl)cc1[O-] ZINC000613027609 360293706 /nfs/dbraw/zinc/29/37/06/360293706.db2.gz LJKZFWVSIHQFSQ-UHFFFAOYSA-N -1 3 231.654 2.734 20 0 BFADHM CC1(C)CC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000613111141 360365065 /nfs/dbraw/zinc/36/50/65/360365065.db2.gz ZQOHTGNDXFQJNW-QMMMGPOBSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@H]1C[C@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000629157995 360911024 /nfs/dbraw/zinc/91/10/24/360911024.db2.gz TVQUTOUCTHPRFO-IUCAKERBSA-N -1 3 246.339 2.615 20 0 BFADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640379056 361191072 /nfs/dbraw/zinc/19/10/72/361191072.db2.gz CAGKIROLOKMTLU-BDAKNGLRSA-N -1 3 246.314 2.579 20 0 BFADHM Cc1cc2c([n-]c(-c3cncs3)nc2=O)s1 ZINC000426123491 200970433 /nfs/dbraw/zinc/97/04/33/200970433.db2.gz NOLJDJPHCLOWIZ-UHFFFAOYSA-N -1 3 249.320 2.829 20 0 BFADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000170190449 361407153 /nfs/dbraw/zinc/40/71/53/361407153.db2.gz ITTCCZUZSMGXTB-RYUDHWBXSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1ccoc1CN(C)Cc1nc(C)ccc1[O-] ZINC000430136691 201146988 /nfs/dbraw/zinc/14/69/88/201146988.db2.gz UALCOMOWKBTYPM-UHFFFAOYSA-N -1 3 246.310 2.629 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1cc(C)ccc1[O-] ZINC000037113697 361677344 /nfs/dbraw/zinc/67/73/44/361677344.db2.gz JOIIKYRYCSEXLS-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC000436568310 201332365 /nfs/dbraw/zinc/33/23/65/201332365.db2.gz SEMOAINULCZSGJ-LBPRGKRZSA-N -1 3 235.327 2.947 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)CC2CC2)c([O-])c1C ZINC000436553922 201331065 /nfs/dbraw/zinc/33/10/65/201331065.db2.gz INMJVLXTKRRNNA-SNVBAGLBSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@H]2C)c([O-])c1C ZINC000436708375 201334221 /nfs/dbraw/zinc/33/42/21/201334221.db2.gz JODMQKKTVQYSFX-SKDRFNHKSA-N -1 3 233.311 2.537 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@@H]2CC)c([O-])c1 ZINC000436818602 201338122 /nfs/dbraw/zinc/33/81/22/201338122.db2.gz GHDRXOJXQVNORQ-LBPRGKRZSA-N -1 3 247.338 2.969 20 0 BFADHM CCCCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000436847672 201338967 /nfs/dbraw/zinc/33/89/67/201338967.db2.gz KWFXUBLQPFOGEM-UHFFFAOYSA-N -1 3 235.327 2.875 20 0 BFADHM [O-]c1cccc(CNCCCCF)c1Cl ZINC000328241186 363862824 /nfs/dbraw/zinc/86/28/24/363862824.db2.gz QYUUCWBVSQLQTL-UHFFFAOYSA-N -1 3 231.698 2.885 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2CCCC2)c1 ZINC000037176262 363873841 /nfs/dbraw/zinc/87/38/41/363873841.db2.gz CNMVDPBFLPGLPZ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1cc([C@@H](C)N2CCC[C@H]2C)oc1C(=O)[O-] ZINC000573808194 364921038 /nfs/dbraw/zinc/92/10/38/364921038.db2.gz HZJRARRMCFHGRG-NXEZZACHSA-N -1 3 237.299 2.832 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C=CCCC2)c([O-])c1 ZINC000157593930 193004186 /nfs/dbraw/zinc/00/41/86/193004186.db2.gz UQNDSUSSSHITDS-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1ccoc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174896763 365518886 /nfs/dbraw/zinc/51/88/86/365518886.db2.gz ZBYSDAAPGDHHMR-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])c1cccc(F)c1 ZINC000174871434 365519125 /nfs/dbraw/zinc/51/91/25/365519125.db2.gz AOAGVYCXICVSHE-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM Cc1cccc(CNCc2cc([O-])cc(F)c2)n1 ZINC000184142055 367066307 /nfs/dbraw/zinc/06/63/07/367066307.db2.gz GDQQSGBCSRRLRS-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000385704285 367857484 /nfs/dbraw/zinc/85/74/84/367857484.db2.gz QBEQZEAMWOPYFH-DGCLKSJQSA-N -1 3 233.311 2.557 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000035874880 368265844 /nfs/dbraw/zinc/26/58/44/368265844.db2.gz KISIDUOOADNTOU-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CCCN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000082501622 368689984 /nfs/dbraw/zinc/68/99/84/368689984.db2.gz DKWMVFIPSSUNRI-UHFFFAOYSA-N -1 3 239.340 2.821 20 0 BFADHM CCc1cccc(C(=O)NCC2(C)CCC2)c1[O-] ZINC000622416944 370909537 /nfs/dbraw/zinc/90/95/37/370909537.db2.gz RKYJRTSEFLQIQW-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM COCC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000457455809 203064382 /nfs/dbraw/zinc/06/43/82/203064382.db2.gz MCKFRVNVVRGMMY-UHFFFAOYSA-N -1 3 249.310 2.538 20 0 BFADHM C[C@H](CC(F)(F)F)C(=O)Nc1ccccc1[O-] ZINC000457462480 203066748 /nfs/dbraw/zinc/06/67/48/203066748.db2.gz UDTBEPYJUFNZAJ-SSDOTTSWSA-N -1 3 247.216 2.919 20 0 BFADHM CC(C)(C)C1CC(C(=O)Nc2ncccc2[O-])C1 ZINC000457724443 203094974 /nfs/dbraw/zinc/09/49/74/203094974.db2.gz YIAQOQBLHQNVKH-UHFFFAOYSA-N -1 3 248.326 2.798 20 0 BFADHM CCc1cc(C(=O)NCC2=CCCC2)ccc1[O-] ZINC000620008053 369664589 /nfs/dbraw/zinc/66/45/89/369664589.db2.gz MXLWSLBQQSXOQK-UHFFFAOYSA-N -1 3 245.322 2.795 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)C[C@H]2CC2(C)C)c1 ZINC000621054801 370087404 /nfs/dbraw/zinc/08/74/04/370087404.db2.gz RWTWIICGNWINCY-LLVKDONJSA-N -1 3 247.338 2.819 20 0 BFADHM CCC1(C)CN(C(=O)c2c(C)cccc2[O-])C1 ZINC000627435525 371617479 /nfs/dbraw/zinc/61/74/79/371617479.db2.gz SVUOLUAKYGJZHV-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(C(C)(C)C)C1 ZINC000627711248 371870033 /nfs/dbraw/zinc/87/00/33/371870033.db2.gz CBOZJAFASYIIQE-UHFFFAOYSA-N -1 3 247.338 2.819 20 0 BFADHM O=C(NCC1CCC1)c1cc([O-])ccc1Cl ZINC000236610625 182143683 /nfs/dbraw/zinc/14/36/83/182143683.db2.gz JRZIVYHKQOPRIW-UHFFFAOYSA-N -1 3 239.702 2.576 20 0 BFADHM CCC(C)(C)CCNC(=O)c1cccc([O-])c1 ZINC000633967194 373865052 /nfs/dbraw/zinc/86/50/52/373865052.db2.gz ILZWXPKUHVGJPF-UHFFFAOYSA-N -1 3 235.327 2.948 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@]12C[C@H]1CCCC2 ZINC000634085147 373950072 /nfs/dbraw/zinc/95/00/72/373950072.db2.gz XWBZWKTWPDXTNU-IAQYHMDHSA-N -1 3 245.322 2.763 20 0 BFADHM CCc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c([O-])c1 ZINC000188330115 205831411 /nfs/dbraw/zinc/83/14/11/205831411.db2.gz BWPYZPVYVABJMT-QWRGUYRKSA-N -1 3 247.338 2.968 20 0 BFADHM O=C([N-]OCc1cccnc1)C1=CCCCCC1 ZINC000186807857 182284696 /nfs/dbraw/zinc/28/46/96/182284696.db2.gz DRKCHRRMQVCRDB-UHFFFAOYSA-N -1 3 246.310 2.520 20 0 BFADHM CC1(NC(=O)c2ccc(O)cc2[O-])CCCCC1 ZINC000194846292 206112060 /nfs/dbraw/zinc/11/20/60/206112060.db2.gz NLCKXWZLJHKAJX-UHFFFAOYSA-N -1 3 249.310 2.550 20 0 BFADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000166850709 206140816 /nfs/dbraw/zinc/14/08/16/206140816.db2.gz UVZFJADSBZPJTF-WOPDTQHZSA-N -1 3 247.338 2.899 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC1(F)F ZINC000294912884 182348417 /nfs/dbraw/zinc/34/84/17/182348417.db2.gz SMMFIYAINOFUQR-LURJTMIESA-N -1 3 247.628 2.639 20 0 BFADHM CCCN(CC(=O)[O-])Cc1ccccc1Cl ZINC000032099975 169099192 /nfs/dbraw/zinc/09/91/92/169099192.db2.gz GTASHRXBEJOYKU-UHFFFAOYSA-N -1 3 241.718 2.637 20 0 BFADHM [O-]c1ccc(-c2noc(-c3ccoc3)n2)cc1 ZINC000034956063 183265395 /nfs/dbraw/zinc/26/53/95/183265395.db2.gz AOODAFWMGSMMQU-UHFFFAOYSA-N -1 3 228.207 2.702 20 0 BFADHM [O-]c1ccc(-c2noc(-c3ccncc3)n2)cc1 ZINC000034956093 183265715 /nfs/dbraw/zinc/26/57/15/183265715.db2.gz UOEXXHFLFSAURN-UHFFFAOYSA-N -1 3 239.234 2.504 20 0 BFADHM CCCN(CCC)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000297690640 169150328 /nfs/dbraw/zinc/15/03/28/169150328.db2.gz AHCUMWJRSGAAOV-NSHDSACASA-N -1 3 237.347 2.674 20 0 BFADHM [O-]c1ccc(F)c(CNC2CCCC2)c1F ZINC000336435967 183273366 /nfs/dbraw/zinc/27/33/66/183273366.db2.gz FFLCEKNCVPTOKJ-UHFFFAOYSA-N -1 3 227.254 2.703 20 0 BFADHM [O-]c1cc(F)cc(CN2CCC3(CCC3)C2)c1 ZINC000186230371 183258575 /nfs/dbraw/zinc/25/85/75/183258575.db2.gz LMXJKYKPJXIWFV-UHFFFAOYSA-N -1 3 235.302 2.907 20 0 BFADHM CCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361416 169365239 /nfs/dbraw/zinc/36/52/39/169365239.db2.gz HLFSELOHLZXJCE-SECBINFHSA-N -1 3 239.315 2.907 20 0 BFADHM O=C(CC[C@H]1CCCCO1)Nc1ccccc1[O-] ZINC000111546519 383867763 /nfs/dbraw/zinc/86/77/63/383867763.db2.gz XIMQOPBCWGYHGE-LLVKDONJSA-N -1 3 249.310 2.680 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000036791575 383909666 /nfs/dbraw/zinc/90/96/66/383909666.db2.gz HGCUKWXTWLSWQP-JTQLQIEISA-N -1 3 221.300 2.653 20 0 BFADHM C[C@@H](c1ccco1)N(C)Cc1ncccc1[O-] ZINC000558398269 383980894 /nfs/dbraw/zinc/98/08/94/383980894.db2.gz QOJQBHHEHLJVOY-JTQLQIEISA-N -1 3 232.283 2.573 20 0 BFADHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000050566607 384085600 /nfs/dbraw/zinc/08/56/00/384085600.db2.gz XEMFRZUNONOGEE-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM CO[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000092878367 384197375 /nfs/dbraw/zinc/19/73/75/384197375.db2.gz GXXOACYNZIFWJZ-SECBINFHSA-N -1 3 241.718 2.586 20 0 BFADHM Cc1ccc([O-])c(CNc2cnoc2C2CC2)n1 ZINC000556472885 384405797 /nfs/dbraw/zinc/40/57/97/384405797.db2.gz CTDWKRKAZGSYKX-UHFFFAOYSA-N -1 3 245.282 2.573 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)c([O-])c1 ZINC000334246546 384410804 /nfs/dbraw/zinc/41/08/04/384410804.db2.gz ILAHVERBPSCELT-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM CC[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000077938350 384422562 /nfs/dbraw/zinc/42/25/62/384422562.db2.gz LBHZEXNWEDMTSR-MRVPVSSYSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000048369397 384486066 /nfs/dbraw/zinc/48/60/66/384486066.db2.gz ADOWFROQGWOVPD-SECBINFHSA-N -1 3 221.300 2.537 20 0 BFADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000149859445 384484974 /nfs/dbraw/zinc/48/49/74/384484974.db2.gz OAECDPCFMQDWJN-QMMMGPOBSA-N -1 3 230.267 2.956 20 0 BFADHM O=C(Nc1ccsc1)c1cccc([O-])c1 ZINC000085535739 384532641 /nfs/dbraw/zinc/53/26/41/384532641.db2.gz JTBKHIDVJSBWQW-UHFFFAOYSA-N -1 3 219.265 2.706 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(SCC)c1 ZINC000184024480 384553181 /nfs/dbraw/zinc/55/31/81/384553181.db2.gz FRQXRGBSPZVBEU-UHFFFAOYSA-N -1 3 240.328 2.872 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)CCC2CC2)c1 ZINC000154000731 384572445 /nfs/dbraw/zinc/57/24/45/384572445.db2.gz QGTKQUJTRFRRAU-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC23CCCC3)ccc1[O-] ZINC000335891717 384566622 /nfs/dbraw/zinc/56/66/22/384566622.db2.gz FEYUVZBLHRODJJ-CYBMUJFWSA-N -1 3 245.322 2.763 20 0 BFADHM CCC[C@H](CC)NC(=O)c1cccc([O-])c1 ZINC000050406262 384624430 /nfs/dbraw/zinc/62/44/30/384624430.db2.gz YOYOHHYUHSCENX-NSHDSACASA-N -1 3 221.300 2.701 20 0 BFADHM CN(C[C@H]1CC=CCC1)C(=O)c1ccccc1[O-] ZINC000336539628 384697726 /nfs/dbraw/zinc/69/77/26/384697726.db2.gz JVMFLMXYVSYDAT-LBPRGKRZSA-N -1 3 245.322 2.821 20 0 BFADHM Cc1cccc(C(=O)N2CCC(C)(C)CC2)c1[O-] ZINC000061804088 384750511 /nfs/dbraw/zinc/75/05/11/384750511.db2.gz DDUULJJBMMHTKN-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCC[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000536461841 384852690 /nfs/dbraw/zinc/85/26/90/384852690.db2.gz BJTPGCSJZPQGHU-QMMMGPOBSA-N -1 3 225.263 2.906 20 0 BFADHM O=C(CC1=CCCCC1)Nc1ncccc1[O-] ZINC000106901878 384942591 /nfs/dbraw/zinc/94/25/91/384942591.db2.gz QOGHURVHGBDRKV-UHFFFAOYSA-N -1 3 232.283 2.616 20 0 BFADHM Cc1ccoc1CNCc1cc([O-])cc(F)c1 ZINC000310457164 385074865 /nfs/dbraw/zinc/07/48/65/385074865.db2.gz XAGBGYJKLNAEPQ-UHFFFAOYSA-N -1 3 235.258 2.723 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC3(CC3)CC2)c1 ZINC000370874261 385083483 /nfs/dbraw/zinc/08/34/83/385083483.db2.gz XOJSJVUISPHMNH-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM CCCCN(C)C(=O)c1ccc(CC)cc1[O-] ZINC000189076598 385121092 /nfs/dbraw/zinc/12/10/92/385121092.db2.gz KUPIRSURYAGARU-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM Cc1cccc(-c2nc(CC(C)C)no2)c1[O-] ZINC000109037115 385131258 /nfs/dbraw/zinc/13/12/58/385131258.db2.gz XRNRNPYSJHZCLJ-UHFFFAOYSA-N -1 3 232.283 2.949 20 0 BFADHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([O-])c1 ZINC000403315899 385173393 /nfs/dbraw/zinc/17/33/93/385173393.db2.gz BWCCZQIWAJFSSC-NTZNESFSSA-N -1 3 245.322 2.558 20 0 BFADHM CC(C)(C)CCC(=O)Nc1ncccc1[O-] ZINC000130200561 385228428 /nfs/dbraw/zinc/22/84/28/385228428.db2.gz KAWYHMWGEOTQFI-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000153773261 385279118 /nfs/dbraw/zinc/27/91/18/385279118.db2.gz WVQVRHAUUHXRBT-NEPJUHHUSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1cccs1 ZINC000191399025 385301830 /nfs/dbraw/zinc/30/18/30/385301830.db2.gz NHFXOVUHFLIUHH-VHSXEESVSA-N -1 3 239.340 2.748 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000272707190 385327889 /nfs/dbraw/zinc/32/78/89/385327889.db2.gz XHXKHGGEUDOIHZ-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000155466204 385391831 /nfs/dbraw/zinc/39/18/31/385391831.db2.gz UFGIUVRFQRZIBY-LLVKDONJSA-N -1 3 235.327 2.810 20 0 BFADHM C[C@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000182203185 385434387 /nfs/dbraw/zinc/43/43/87/385434387.db2.gz QFGHEVBVFQBYPP-RYUDHWBXSA-N -1 3 247.338 2.948 20 0 BFADHM CC(C)c1noc([N-][C@@H](C)c2ccccn2)n1 ZINC000171808172 385519087 /nfs/dbraw/zinc/51/90/87/385519087.db2.gz YOHAZYNGYDTAEL-VIFPVBQESA-N -1 3 232.287 2.761 20 0 BFADHM CCCO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 ZINC000493108918 385519867 /nfs/dbraw/zinc/51/98/67/385519867.db2.gz UHSUSZWDDVRONR-LCMYJQKYSA-N -1 3 249.310 2.874 20 0 BFADHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450966515 385601974 /nfs/dbraw/zinc/60/19/74/385601974.db2.gz GHZNSDQLQLBOTA-UHFFFAOYSA-N -1 3 247.385 2.523 20 0 BFADHM CC(C(=O)[N-]OCC(C)C)=C1CCCC1 ZINC000269714041 385628413 /nfs/dbraw/zinc/62/84/13/385628413.db2.gz PJOAFOZSJNZYTH-UHFFFAOYSA-N -1 3 211.305 2.581 20 0 BFADHM C/C=C(/C=C\C(=O)[N-]OCc1cccnc1)CC ZINC000493729050 385608625 /nfs/dbraw/zinc/60/86/25/385608625.db2.gz SXBKONWCEDYCIK-SODSMJNWSA-N -1 3 246.310 2.542 20 0 BFADHM O=C(/C=C/C1CC1)Nc1cc(Cl)ccc1[O-] ZINC000253467295 385678779 /nfs/dbraw/zinc/67/87/79/385678779.db2.gz ZAYADEONNXMZHJ-ZZXKWVIFSA-N -1 3 237.686 2.950 20 0 BFADHM CCCC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000340102630 385686740 /nfs/dbraw/zinc/68/67/40/385686740.db2.gz ORIVPBAQRCFURR-UHFFFAOYSA-N -1 3 219.284 2.911 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC000185481711 385728771 /nfs/dbraw/zinc/72/87/71/385728771.db2.gz WSSFDLNIAPAEGW-PWSUYJOCSA-N -1 3 233.311 2.653 20 0 BFADHM CS[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000183015160 385730132 /nfs/dbraw/zinc/73/01/32/385730132.db2.gz CHFOMDLRPIJILR-VIFPVBQESA-N -1 3 239.340 2.781 20 0 BFADHM CCCN(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185674505 385731750 /nfs/dbraw/zinc/73/17/50/385731750.db2.gz OHZADGQUNAILDM-UHFFFAOYSA-N -1 3 247.338 2.753 20 0 BFADHM C/C(=C\C(=O)Nc1c(C)cccc1[O-])C1CC1 ZINC000183052745 385731863 /nfs/dbraw/zinc/73/18/63/385731863.db2.gz IKCFITMJOSSWIT-CSKARUKUSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)CC(F)F ZINC000413664249 385854288 /nfs/dbraw/zinc/85/42/88/385854288.db2.gz DIZXQXAPRMGZBZ-QMMMGPOBSA-N -1 3 243.253 2.930 20 0 BFADHM Cc1cccc(C(=O)NCCC2=CCCC2)c1[O-] ZINC000229000369 385884305 /nfs/dbraw/zinc/88/43/05/385884305.db2.gz JFPSTNDLZVUHDG-UHFFFAOYSA-N -1 3 245.322 2.931 20 0 BFADHM C[C@H](C1CC1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272740404 385929014 /nfs/dbraw/zinc/92/90/14/385929014.db2.gz IIVZGRGKTBNIAU-SNVBAGLBSA-N -1 3 245.322 2.795 20 0 BFADHM CC[C@H]1CC[C@@H](C(=O)Nc2c(C)cccc2[O-])O1 ZINC000272598823 385917428 /nfs/dbraw/zinc/91/74/28/385917428.db2.gz YGXYUDCVXJCSRD-JQWIXIFHSA-N -1 3 249.310 2.597 20 0 BFADHM COc1ccc(NC(=O)CCCC2CC2)c([O-])c1 ZINC000643252820 385985576 /nfs/dbraw/zinc/98/55/76/385985576.db2.gz YHZGKVYZYFHEMK-UHFFFAOYSA-N -1 3 249.310 2.920 20 0 BFADHM CC(C)(C)c1nc(C=Cc2cocn2)cc(=O)[n-]1 ZINC000414078343 385950243 /nfs/dbraw/zinc/95/02/43/385950243.db2.gz QVYFAGKEJUWJAZ-PLNGDYQASA-N -1 3 245.282 2.638 20 0 BFADHM CC(F)(F)C(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000295110855 385970559 /nfs/dbraw/zinc/97/05/59/385970559.db2.gz XIDMEENHYUFGGF-UHFFFAOYSA-N -1 3 245.244 2.832 20 0 BFADHM COc1cc(C)cc(-c2nc(C3CC3)no2)c1[O-] ZINC000273413414 385998936 /nfs/dbraw/zinc/99/89/36/385998936.db2.gz NCIUWZCYWQLDOV-UHFFFAOYSA-N -1 3 246.266 2.637 20 0 BFADHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000453004465 386010583 /nfs/dbraw/zinc/01/05/83/386010583.db2.gz SZNJHYXTEZKBKS-YPMHNXCESA-N -1 3 247.338 2.948 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)CC1CC1 ZINC000295429789 386028405 /nfs/dbraw/zinc/02/84/05/386028405.db2.gz SXNMUDIEDVXPJI-UHFFFAOYSA-N -1 3 227.254 2.512 20 0 BFADHM [O-]c1ccc(-c2noc([C@]34C[C@H]3CCC4)n2)cc1 ZINC000643278453 386034316 /nfs/dbraw/zinc/03/43/16/386034316.db2.gz VZWTUTVKUPJVSI-QMTHXVAHSA-N -1 3 242.278 2.884 20 0 BFADHM O=C([O-])c1cccc(CN[C@@H]2C=CCCC2)c1 ZINC000414642366 386035517 /nfs/dbraw/zinc/03/55/17/386035517.db2.gz VSIAZUVBQNKQSL-CYBMUJFWSA-N -1 3 231.295 2.583 20 0 BFADHM O=C([O-])c1cccc(CN[C@H]2C=CCCC2)c1 ZINC000414642367 386035617 /nfs/dbraw/zinc/03/56/17/386035617.db2.gz VSIAZUVBQNKQSL-ZDUSSCGKSA-N -1 3 231.295 2.583 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C)=C[C@H](C)C2)c1 ZINC000335072957 386065898 /nfs/dbraw/zinc/06/58/98/386065898.db2.gz JDRWQGLHEJWSJY-NSHDSACASA-N -1 3 245.322 2.739 20 0 BFADHM [O-]c1ccc(F)c(CN[C@@H]2CC[C@H](F)C2)c1F ZINC000334475424 386151403 /nfs/dbraw/zinc/15/14/03/386151403.db2.gz MFZCATSNZZTSIR-JGVFFNPUSA-N -1 3 245.244 2.651 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC=CC[C@@H]2C)n1 ZINC000355489582 386151566 /nfs/dbraw/zinc/15/15/66/386151566.db2.gz HQRLMXIRQWFBQQ-GXSJLCMTSA-N -1 3 246.310 2.636 20 0 BFADHM Cc1ccc(NC([O-])=NOC(C)C)c(C)c1 ZINC000296127564 386140143 /nfs/dbraw/zinc/14/01/43/386140143.db2.gz IQLUYTINVLIWSM-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC(C)C)c(C)c1 ZINC000296127564 386140149 /nfs/dbraw/zinc/14/01/49/386140149.db2.gz IQLUYTINVLIWSM-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@H]1CC1(C)C ZINC000416279561 386255634 /nfs/dbraw/zinc/25/56/34/386255634.db2.gz ULJVHLCTWOTZIQ-OLZOCXBDSA-N -1 3 247.338 2.947 20 0 BFADHM CS[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000264637716 386257896 /nfs/dbraw/zinc/25/78/96/386257896.db2.gz PQNVFFVWWQRBPY-ZETCQYMHSA-N -1 3 236.296 2.866 20 0 BFADHM CC(C)(C(=O)Nc1ccccc1[O-])C1CC1 ZINC000289122938 386262365 /nfs/dbraw/zinc/26/23/65/386262365.db2.gz RPSYFOIOEKTRNU-UHFFFAOYSA-N -1 3 219.284 2.767 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C(C)C)C2CC2)c1 ZINC000298439735 386344354 /nfs/dbraw/zinc/34/43/54/386344354.db2.gz YSSXMODEELWVQQ-UHFFFAOYSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H](C)C(C)C)ccc1[O-] ZINC000227016596 386448878 /nfs/dbraw/zinc/44/88/78/386448878.db2.gz FKHNWROERYHZBE-NSHDSACASA-N -1 3 235.327 2.817 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC=CCC2)ccc1[O-] ZINC000227031767 386451164 /nfs/dbraw/zinc/45/11/64/386451164.db2.gz NVMLQIFQUISYAF-GFCCVEGCSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)ccc1[O-] ZINC000227036872 386451443 /nfs/dbraw/zinc/45/14/43/386451443.db2.gz DYACDSZFJYDKBL-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM CCC1(NC(=O)c2ccc([O-])c(C)c2)CCC1 ZINC000227037770 386451728 /nfs/dbraw/zinc/45/17/28/386451728.db2.gz KEIAWKCETGMNHL-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274781201 386417266 /nfs/dbraw/zinc/41/72/66/386417266.db2.gz KRCAAWSQBNJUBZ-MFKMUULPSA-N -1 3 233.311 2.653 20 0 BFADHM CCCCCC(=O)Nc1ccccc1[O-] ZINC000058637679 386468433 /nfs/dbraw/zinc/46/84/33/386468433.db2.gz ZZGWRBFQPZAFLB-UHFFFAOYSA-N -1 3 207.273 2.911 20 0 BFADHM O=C(CC1=CCCCC1)[N-]OC/C=C/Cl ZINC000291880448 386596779 /nfs/dbraw/zinc/59/67/79/386596779.db2.gz QGVYDSWIIDQWOE-QPJJXVBHSA-N -1 3 229.707 2.677 20 0 BFADHM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000457228886 386549391 /nfs/dbraw/zinc/54/93/91/386549391.db2.gz HDQIKWHEWYJTBM-ZFWWWQNUSA-N -1 3 247.338 2.947 20 0 BFADHM CCc1cc(C(=O)N2CCCCCC2)ccc1[O-] ZINC000291478069 386551574 /nfs/dbraw/zinc/55/15/74/386551574.db2.gz QKXHZRULSVPFBM-UHFFFAOYSA-N -1 3 247.338 2.971 20 0 BFADHM O=C(C=C1CCCCC1)Nc1ncccc1[O-] ZINC000268589860 386668970 /nfs/dbraw/zinc/66/89/70/386668970.db2.gz PFYLHMPTXWSKIE-UHFFFAOYSA-N -1 3 232.283 2.616 20 0 BFADHM CO[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000279740213 386730327 /nfs/dbraw/zinc/73/03/27/386730327.db2.gz OSZUZEQMOYFPQB-FZMZJTMJSA-N -1 3 247.338 2.981 20 0 BFADHM CC(C)c1noc([N-]Cc2ccnn2C(C)C)n1 ZINC000279976311 386763957 /nfs/dbraw/zinc/76/39/57/386763957.db2.gz DVYMJTTWLVQKDN-UHFFFAOYSA-N -1 3 249.318 2.583 20 0 BFADHM CC(C)c1occc1C(=O)[N-]c1nncs1 ZINC000280063178 386774845 /nfs/dbraw/zinc/77/48/45/386774845.db2.gz TVRKWZPJBUEASE-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM CC[C@@H](C)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350487783 386799109 /nfs/dbraw/zinc/79/91/09/386799109.db2.gz QDFRSUOCJNHKRC-SSDOTTSWSA-N -1 3 243.270 2.521 20 0 BFADHM O=C([N-]c1nncs1)c1coc2ccccc12 ZINC000113018991 386829015 /nfs/dbraw/zinc/82/90/15/386829015.db2.gz KUZUWOZQSNYNSX-UHFFFAOYSA-N -1 3 245.263 2.537 20 0 BFADHM CO[C@@H]1CCCC[C@@H]1[N-]c1nc(C(C)C)no1 ZINC000301457535 386846055 /nfs/dbraw/zinc/84/60/55/386846055.db2.gz NGUBBTNAKYFJNK-VHSXEESVSA-N -1 3 239.319 2.563 20 0 BFADHM CC(F)(F)c1ccc(C[N-]C(=O)C(F)F)cc1 ZINC000293751964 386871372 /nfs/dbraw/zinc/87/13/72/386871372.db2.gz KIKPRGHVYUCHRC-UHFFFAOYSA-N -1 3 249.207 2.680 20 0 BFADHM C[C@@H]1C[C@@H](C)N1Cc1cc([O-])cc(F)c1 ZINC000334842928 386888244 /nfs/dbraw/zinc/88/82/44/386888244.db2.gz BTAOJUDAWSPVAL-RKDXNWHRSA-N -1 3 209.264 2.514 20 0 BFADHM CC(C)c1ccc(C(=O)N(C)CCF)c([O-])c1 ZINC000293891582 386898886 /nfs/dbraw/zinc/89/88/86/386898886.db2.gz LWBIJEQKPNQJRZ-UHFFFAOYSA-N -1 3 239.290 2.557 20 0 BFADHM CCCn1c(SCCC(C)(C)C)n[n-]c1=O ZINC000126120516 386975040 /nfs/dbraw/zinc/97/50/40/386975040.db2.gz ZWGGZBYIDCFHMD-UHFFFAOYSA-N -1 3 243.376 2.922 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@H]2C=CCCC2)n1 ZINC000188625426 387072949 /nfs/dbraw/zinc/07/29/49/387072949.db2.gz UGDGVUCECILDTF-NSHDSACASA-N -1 3 246.310 2.781 20 0 BFADHM CC1(C)CC(C(=O)Nc2cccc([O-])c2F)C1 ZINC000336317589 387143764 /nfs/dbraw/zinc/14/37/64/387143764.db2.gz SNADJGWNVGFPOR-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(c1ccccc1[O-])N1CC(C2CCCC2)C1 ZINC000336362572 387194048 /nfs/dbraw/zinc/19/40/48/387194048.db2.gz FENVNBARZVGQQK-UHFFFAOYSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1cccc(C(=O)NCC2(C3CC3)CC2)c1[O-] ZINC000120575512 387191469 /nfs/dbraw/zinc/19/14/69/387191469.db2.gz VISYRIGACNKPKE-UHFFFAOYSA-N -1 3 245.322 2.621 20 0 BFADHM CCCC[C@@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000162057979 387309842 /nfs/dbraw/zinc/30/98/42/387309842.db2.gz SUBHXZKCUAQBHZ-NSHDSACASA-N -1 3 241.356 2.823 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])s1)[C@H]1CC1(C)C ZINC000514945720 387312697 /nfs/dbraw/zinc/31/26/97/387312697.db2.gz XCJXMKYEOACZGE-JTQLQIEISA-N -1 3 239.340 2.677 20 0 BFADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])C[C@H]2C[C@H]2C1 ZINC000336485796 387313890 /nfs/dbraw/zinc/31/38/90/387313890.db2.gz GMEGILZPUVTERU-QRJZZWFUSA-N -1 3 249.285 2.906 20 0 BFADHM Cc1cc(C(=O)N(C)[C@H]2CC2(C)C)ccc1[O-] ZINC000336545972 387367570 /nfs/dbraw/zinc/36/75/70/387367570.db2.gz FWPVJAGAKGLMIY-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM CC(C)=Cc1nc(-c2ccc([O-])cc2)no1 ZINC000336498665 387323143 /nfs/dbraw/zinc/32/31/43/387323143.db2.gz YUPFPKRKJGRWLR-UHFFFAOYSA-N -1 3 216.240 2.865 20 0 BFADHM Cc1ccc(F)cc1CNCc1ncccc1[O-] ZINC000355307619 387517285 /nfs/dbraw/zinc/51/72/85/387517285.db2.gz DONDJUWQCFNZGJ-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM CNc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000336625774 387480146 /nfs/dbraw/zinc/48/01/46/387480146.db2.gz VOGOVKHTCXJDRL-UHFFFAOYSA-N -1 3 242.278 2.686 20 0 BFADHM CCc1cc(C(=O)NC[C@@H](C)CC)ccc1[O-] ZINC000421907221 387481099 /nfs/dbraw/zinc/48/10/99/387481099.db2.gz CLFXNGPIDHEUHQ-JTQLQIEISA-N -1 3 235.327 2.731 20 0 BFADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000399579732 387555478 /nfs/dbraw/zinc/55/54/78/387555478.db2.gz RGUUAHCONSOOIQ-OUAUKWLOSA-N -1 3 233.311 2.509 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc(C)c1[O-] ZINC000399704818 387567159 /nfs/dbraw/zinc/56/71/59/387567159.db2.gz XDAVVKAVYXFNOT-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc(C)c1[O-] ZINC000399704820 387567694 /nfs/dbraw/zinc/56/76/94/387567694.db2.gz XDAVVKAVYXFNOT-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125257593 387649938 /nfs/dbraw/zinc/64/99/38/387649938.db2.gz HDGMVZAIIAXOAP-UHFFFAOYSA-N -1 3 233.189 2.760 20 0 BFADHM O=C(c1cccc([O-])c1)N1Cc2ccccc2C1 ZINC000050912620 387796699 /nfs/dbraw/zinc/79/66/99/387796699.db2.gz KRCHDNCUCUIUFS-UHFFFAOYSA-N -1 3 239.274 2.548 20 0 BFADHM CC/C=C\CCSc1ncc(C(=O)OC)[n-]1 ZINC000432672906 387810433 /nfs/dbraw/zinc/81/04/33/387810433.db2.gz VJFOTXVFFUTUES-PLNGDYQASA-N -1 3 240.328 2.645 20 0 BFADHM O=C(Nc1ccncc1)c1cc([O-])ccc1Cl ZINC000236559263 387895667 /nfs/dbraw/zinc/89/56/67/387895667.db2.gz IEHBKNQJMQDJGN-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CCc1ccc(C(=O)NC2(CC)CC2)c([O-])c1 ZINC000452842645 387929049 /nfs/dbraw/zinc/92/90/49/387929049.db2.gz ATQAMIVFVCRTOK-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM Cc1cccc(CC(=O)Nc2ccccc2[O-])c1 ZINC000244396294 387937932 /nfs/dbraw/zinc/93/79/32/387937932.db2.gz YHSMNHORRXDBRK-UHFFFAOYSA-N -1 3 241.290 2.882 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246133885 388012174 /nfs/dbraw/zinc/01/21/74/388012174.db2.gz FLJYUEQIHZCAOC-IWIIMEHWSA-N -1 3 231.295 2.767 20 0 BFADHM CCC1CN(Cc2cccc([O-])c2Cl)C1 ZINC000453619495 388093139 /nfs/dbraw/zinc/09/31/39/388093139.db2.gz UKYBUVICRCLHTI-UHFFFAOYSA-N -1 3 225.719 2.887 20 0 BFADHM O=C(COCC1CCCC1)Nc1ccccc1[O-] ZINC000454927015 388140715 /nfs/dbraw/zinc/14/07/15/388140715.db2.gz OHZTYMFFAHRAPG-UHFFFAOYSA-N -1 3 249.310 2.538 20 0 BFADHM CC[C@@H](CC(C)C)C(=O)Nc1ncccc1[O-] ZINC000449107215 388143743 /nfs/dbraw/zinc/14/37/43/388143743.db2.gz LRAOBCNDZYTIEB-JTQLQIEISA-N -1 3 236.315 2.798 20 0 BFADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000449107792 388143773 /nfs/dbraw/zinc/14/37/73/388143773.db2.gz NYTZWXWTKIGIPP-NXEZZACHSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@]2(C)CC=CCC2)n1 ZINC000451484290 388277069 /nfs/dbraw/zinc/27/70/69/388277069.db2.gz GTXJGFMVLZENGE-CQSZACIVSA-N -1 3 246.310 2.781 20 0 BFADHM O=C(/C=C\c1ccccc1)[N-]OC1CCCC1 ZINC000492317308 388341326 /nfs/dbraw/zinc/34/13/26/388341326.db2.gz AZOMYOUJJMSBQX-KHPPLWFESA-N -1 3 231.295 2.690 20 0 BFADHM C/C=C/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000492337993 388341974 /nfs/dbraw/zinc/34/19/74/388341974.db2.gz BCJGZSHJBBWDEE-BEHOXYOFSA-N -1 3 217.268 2.771 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1ccc[nH]1 ZINC000519784047 256658564 /nfs/dbraw/zinc/65/85/64/256658564.db2.gz BOKFRAILBOCFSH-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM CCC1(CC)CN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000294102829 388395145 /nfs/dbraw/zinc/39/51/45/388395145.db2.gz JESTYXUVLVSZNG-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM O=C(/C=C/c1ccsc1)Nc1ncccc1[O-] ZINC000492270110 388339805 /nfs/dbraw/zinc/33/98/05/388339805.db2.gz IZOXQTVLOJSDGF-ONEGZZNKSA-N -1 3 246.291 2.501 20 0 BFADHM CC(C)(C)C(C)(C)NC(=O)c1cccc([O-])c1 ZINC000336731454 388471510 /nfs/dbraw/zinc/47/15/10/388471510.db2.gz YWBMRVHNFFGAGE-UHFFFAOYSA-N -1 3 235.327 2.947 20 0 BFADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175024386 388430350 /nfs/dbraw/zinc/43/03/50/388430350.db2.gz WTJFKWOVYUXNFA-NXEZZACHSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H]1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175024399 388430876 /nfs/dbraw/zinc/43/08/76/388430876.db2.gz WTJFKWOVYUXNFA-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM CCN(CCC1CC1)C(=O)c1cccc([O-])c1 ZINC000355114306 388544677 /nfs/dbraw/zinc/54/46/77/388544677.db2.gz CZHXGWCIWGKWGT-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM CCC1(NC(=O)c2cc(C)ccc2[O-])CCC1 ZINC000135589812 388501234 /nfs/dbraw/zinc/50/12/34/388501234.db2.gz OUDMUOSDTQJSLK-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000135776582 388508818 /nfs/dbraw/zinc/50/88/18/388508818.db2.gz AWLCQOZPEFOXHD-TVQRCGJNSA-N -1 3 219.284 2.767 20 0 BFADHM COc1ccnc(NCc2cc([O-])cc(F)c2)c1 ZINC000185611482 388589161 /nfs/dbraw/zinc/58/91/61/388589161.db2.gz WFKPXURNCJQAKT-UHFFFAOYSA-N -1 3 248.257 2.547 20 0 BFADHM O=C(NCC[C@H]1CC=CCC1)c1cccc([O-])c1 ZINC000529867830 388594934 /nfs/dbraw/zinc/59/49/34/388594934.db2.gz FOJPLPHGRAQSGJ-LBPRGKRZSA-N -1 3 245.322 2.868 20 0 BFADHM CCN(CC)Cc1cccc([O-])c1Cl ZINC000328310293 388598161 /nfs/dbraw/zinc/59/81/61/388598161.db2.gz AZALFUCSAJMNSU-UHFFFAOYSA-N -1 3 213.708 2.887 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245715503 388600820 /nfs/dbraw/zinc/60/08/20/388600820.db2.gz QCESLJMZGFOFST-VROVMSAKSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])co1 ZINC000188924684 388613425 /nfs/dbraw/zinc/61/34/25/388613425.db2.gz GAIOKHXKOQGHKM-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM CC/C=C\CCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165916 388618493 /nfs/dbraw/zinc/61/84/93/388618493.db2.gz KCWDQEWFZVGRLB-DHCBQETCSA-N -1 3 249.310 2.620 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC=CCC2)c1 ZINC000080110339 388552712 /nfs/dbraw/zinc/55/27/12/388552712.db2.gz DUOKIMODWVHSBT-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1ccc(C(=O)NC[C@H](C)C(C)C)c([O-])c1 ZINC000081066892 388566909 /nfs/dbraw/zinc/56/69/09/388566909.db2.gz NOJAEAQIVSBGPA-NSHDSACASA-N -1 3 235.327 2.723 20 0 BFADHM CCc1noc(C)c1NC(=O)c1cccc([O-])c1 ZINC000182903577 388568879 /nfs/dbraw/zinc/56/88/79/388568879.db2.gz SPKYRUGQXULCPM-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM C[C@@H]1[C@H](C(=O)Nc2cccc([O-])c2F)[C@H]1C1CC1 ZINC000528918410 388583224 /nfs/dbraw/zinc/58/32/24/388583224.db2.gz MMAHAWLKZKQSLQ-BPTDKIDVSA-N -1 3 249.285 2.762 20 0 BFADHM CCN(C(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000192455680 388678120 /nfs/dbraw/zinc/67/81/20/388678120.db2.gz WRDIFTNOLJIYHM-UHFFFAOYSA-N -1 3 249.310 2.503 20 0 BFADHM CSC1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000190004833 388646327 /nfs/dbraw/zinc/64/63/27/388646327.db2.gz NXUXMVGNFMQFOY-UHFFFAOYSA-N -1 3 237.324 2.535 20 0 BFADHM Cc1ccn(C)c1C(=O)Nc1c(C)cccc1[O-] ZINC000190400893 388650387 /nfs/dbraw/zinc/65/03/87/388650387.db2.gz VXNKBVLFMUJFPL-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM Cc1ccc(NC(=O)C2=CCCC2)c([O-])c1 ZINC000126330563 388693296 /nfs/dbraw/zinc/69/32/96/388693296.db2.gz GKCMHLNQBNPAPZ-UHFFFAOYSA-N -1 3 217.268 2.749 20 0 BFADHM CC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000226433176 388719143 /nfs/dbraw/zinc/71/91/43/388719143.db2.gz ZKCQMMJIYZJRNV-UHFFFAOYSA-N -1 3 227.691 2.574 20 0 BFADHM CCc1cccc(C(=O)NC2(C3CC3)CC2)c1[O-] ZINC000538782601 388724000 /nfs/dbraw/zinc/72/40/00/388724000.db2.gz UXOOQYCXIKHAOM-UHFFFAOYSA-N -1 3 245.322 2.627 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)ccc1[O-] ZINC000226714163 388728039 /nfs/dbraw/zinc/72/80/39/388728039.db2.gz VARDHFCBXNEBPT-PHIMTYICSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@H](SC)C(=O)Nc1cccc([O-])c1F ZINC000128930987 388804153 /nfs/dbraw/zinc/80/41/53/388804153.db2.gz WIVMTVXCYNFDIX-VIFPVBQESA-N -1 3 243.303 2.611 20 0 BFADHM CCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC000230163197 388818067 /nfs/dbraw/zinc/81/80/67/388818067.db2.gz FYXLPIARPCSCSD-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CCN(CC1CCC1)C(=O)c1ccccc1[O-] ZINC000230319122 388823309 /nfs/dbraw/zinc/82/33/09/388823309.db2.gz JKDFQJCKPNWNDJ-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM CCCCN(Cc1ncccc1[O-])C1CC1 ZINC000554849296 388833126 /nfs/dbraw/zinc/83/31/26/388833126.db2.gz SEQVSJPAGDESRV-UHFFFAOYSA-N -1 3 220.316 2.552 20 0 BFADHM CC[C@]1(C)CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000556087474 388867180 /nfs/dbraw/zinc/86/71/80/388867180.db2.gz ZBSKORUMJCUHRT-SMDDNHRTSA-N -1 3 249.358 2.674 20 0 BFADHM CC[C@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)o1 ZINC000564578161 388879290 /nfs/dbraw/zinc/87/92/90/388879290.db2.gz UXMWKLAHUSLBJM-GHMZBOCLSA-N -1 3 237.299 2.588 20 0 BFADHM C[C@@H](C(=O)[O-])[C@H](C)NCc1sccc1Cl ZINC000565104964 388915145 /nfs/dbraw/zinc/91/51/45/388915145.db2.gz WXAQBODWILGEIL-RQJHMYQMSA-N -1 3 247.747 2.600 20 0 BFADHM C[C@H]1C[C@H](C[N-]C(=O)C(F)(F)F)C[C@@H](C)C1 ZINC000575497083 388979410 /nfs/dbraw/zinc/97/94/10/388979410.db2.gz VSSAFCSCBXYDKL-BRPSZJMVSA-N -1 3 237.265 2.737 20 0 BFADHM CCC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000267446527 389000613 /nfs/dbraw/zinc/00/06/13/389000613.db2.gz QAUIUTCNNWSDQH-UHFFFAOYSA-N -1 3 230.267 2.884 20 0 BFADHM CC(C)(F)c1nc(-c2ccc([O-])cc2)no1 ZINC000271057467 389017825 /nfs/dbraw/zinc/01/78/25/389017825.db2.gz UMOAUYJUJPRDOW-UHFFFAOYSA-N -1 3 222.219 2.647 20 0 BFADHM C[C@H](N(C)C(=O)c1cccc([O-])c1)C1(C)CC1 ZINC000272550242 389033849 /nfs/dbraw/zinc/03/38/49/389033849.db2.gz ASJFGMQIXXBXOW-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccccc2)n1 ZINC000352029153 134044466 /nfs/dbraw/zinc/04/44/66/134044466.db2.gz XTAZVNBZBXXROE-VTBWALSUSA-N -1 3 238.290 2.805 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCCCC2)c1 ZINC000336033758 134059174 /nfs/dbraw/zinc/05/91/74/134059174.db2.gz JVUUZFDAQXKTBC-UHFFFAOYSA-N -1 3 233.311 2.581 20 0 BFADHM Cc1cc(C(=O)N2CC3(C2)CCCC3)ccc1[O-] ZINC000336110040 134085667 /nfs/dbraw/zinc/08/56/67/134085667.db2.gz WNDGMDBEBLUEJJ-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1cc([O-])c(C(C)C)cc1C(=O)N1CCCO1 ZINC000336160933 134111117 /nfs/dbraw/zinc/11/11/17/134111117.db2.gz WFCSOGUKXHVNFJ-UHFFFAOYSA-N -1 3 249.310 2.602 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c([O-])c1 ZINC000175856424 134288015 /nfs/dbraw/zinc/28/80/15/134288015.db2.gz SVFQWOGFGWIFOC-MNOVXSKESA-N -1 3 231.295 2.685 20 0 BFADHM [O-]c1cc(F)cc(CNCc2ccccc2)c1 ZINC000184130908 134359276 /nfs/dbraw/zinc/35/92/76/134359276.db2.gz DYEWLCTYGIVGPJ-UHFFFAOYSA-N -1 3 231.270 2.821 20 0 BFADHM Cc1cc(C(=O)NC(C)(C)C2CC2)ccc1[O-] ZINC000227034581 134373834 /nfs/dbraw/zinc/37/38/34/134373834.db2.gz ACEYAOPOYLRRBG-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cccc([O-])c1 ZINC000248407546 135006057 /nfs/dbraw/zinc/00/60/57/135006057.db2.gz DGDMPDRLVLWZIM-YABSGUDNSA-N -1 3 247.338 2.947 20 0 BFADHM CCC[C@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000261531037 135159050 /nfs/dbraw/zinc/15/90/50/135159050.db2.gz DYLFMQYRHYKVDH-QMMMGPOBSA-N -1 3 247.747 2.744 20 0 BFADHM Cc1cc2cc(CNCCC(=O)[O-])oc2cc1C ZINC000261947344 135265569 /nfs/dbraw/zinc/26/55/69/135265569.db2.gz FNGAPOUQRJUFGM-UHFFFAOYSA-N -1 3 247.294 2.614 20 0 BFADHM C[C@@H]1C[C@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000335331461 136053895 /nfs/dbraw/zinc/05/38/95/136053895.db2.gz IGUIFKBBHRIPME-PWSUYJOCSA-N -1 3 245.322 2.718 20 0 BFADHM Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)c([O-])c1 ZINC000335569300 136108731 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C[C@H](NC/C=C/Cl)c1cc([O-])cc(F)c1 ZINC000903445473 584769179 /nfs/dbraw/zinc/76/91/79/584769179.db2.gz UJURQAPDZCHWAR-SGJFDWMWSA-N -1 3 229.682 2.934 20 0 BFADHM C[C@@H](NC/C=C/Cl)c1cc([O-])cc(F)c1 ZINC000903445474 584769557 /nfs/dbraw/zinc/76/95/57/584769557.db2.gz UJURQAPDZCHWAR-UFUPEUMYSA-N -1 3 229.682 2.934 20 0 BFADHM C[C@H](NC/C=C/Cl)c1cccc([O-])c1F ZINC000903445757 584770131 /nfs/dbraw/zinc/77/01/31/584770131.db2.gz VLEXQHUHLPMSPO-HFSLJOEWSA-N -1 3 229.682 2.934 20 0 BFADHM C[C@@H](NC/C=C\Cl)c1cccc([O-])c1F ZINC000903445759 584770157 /nfs/dbraw/zinc/77/01/57/584770157.db2.gz VLEXQHUHLPMSPO-WAXIIBMWSA-N -1 3 229.682 2.934 20 0 BFADHM O=C([O-])C1(CCN2Cc3ccccc3C2)CCC1 ZINC000903695730 584789795 /nfs/dbraw/zinc/78/97/95/584789795.db2.gz HLRUIFSNGRKYCS-UHFFFAOYSA-N -1 3 245.322 2.647 20 0 BFADHM C/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759695146 584907068 /nfs/dbraw/zinc/90/70/68/584907068.db2.gz AAXRIAJZKQJBTN-NSCUHMNNSA-N -1 3 211.648 2.560 20 0 BFADHM CCc1ccc(CN(C)C/C=C(/C)C(=O)[O-])cc1 ZINC000830250204 584908283 /nfs/dbraw/zinc/90/82/83/584908283.db2.gz WWAOIQLMSQDMLQ-XFXZXTDPSA-N -1 3 247.338 2.712 20 0 BFADHM O=C([N-]OCC(F)F)C1[C@H]2CCCCCC[C@H]12 ZINC000832187581 584911217 /nfs/dbraw/zinc/91/12/17/584911217.db2.gz YOQMFEZIONHJEB-IUCAKERBSA-N -1 3 247.285 2.516 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153467284 584912639 /nfs/dbraw/zinc/91/26/39/584912639.db2.gz HCECQHNQYPUEIR-HTRCEHHLSA-N -1 3 225.675 2.640 20 0 BFADHM C[C@@H](CNCc1c(F)ccc([O-])c1F)C1CC1 ZINC000816538766 584981084 /nfs/dbraw/zinc/98/10/84/584981084.db2.gz GCMVQGHPWPAFHI-QMMMGPOBSA-N -1 3 241.281 2.806 20 0 BFADHM C=C/C(C)=C\CC(=O)[N-]OC[C@@H](C)CC ZINC000816977561 584982250 /nfs/dbraw/zinc/98/22/50/584982250.db2.gz CGODDYMROWIVIA-BRNRAETOSA-N -1 3 211.305 2.603 20 0 BFADHM C=C/C(C)=C/CC(=O)[N-]OC[C@H](C)CC ZINC000816977563 584982336 /nfs/dbraw/zinc/98/23/36/584982336.db2.gz CGODDYMROWIVIA-PFEDMVJOSA-N -1 3 211.305 2.603 20 0 BFADHM CCCCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838143505 585047083 /nfs/dbraw/zinc/04/70/83/585047083.db2.gz WVFVRRWYTJJTFO-UHFFFAOYSA-N -1 3 240.274 2.807 20 0 BFADHM Cc1cccc([C@H](C)C[N-]C(=O)C(F)(F)F)c1 ZINC000741236664 585111402 /nfs/dbraw/zinc/11/14/02/585111402.db2.gz ZRYDFYWHBVPCJO-SECBINFHSA-N -1 3 245.244 2.777 20 0 BFADHM O=c1ccnc(C=Cc2ccc(F)c(F)c2)[n-]1 ZINC000742221809 585123529 /nfs/dbraw/zinc/12/35/29/585123529.db2.gz UCFUQWPSZJTRQK-DUXPYHPUSA-N -1 3 234.205 2.631 20 0 BFADHM O=C(OCCC1CC1)c1cc(-c2ccco2)n[n-]1 ZINC000744284245 585147233 /nfs/dbraw/zinc/14/72/33/585147233.db2.gz FNYADXKWQKRYPM-UHFFFAOYSA-N -1 3 246.266 2.627 20 0 BFADHM O=C(OCCC1CC1)c1cc(-c2ccco2)[n-]n1 ZINC000744284245 585147234 /nfs/dbraw/zinc/14/72/34/585147234.db2.gz FNYADXKWQKRYPM-UHFFFAOYSA-N -1 3 246.266 2.627 20 0 BFADHM CCO[N-]C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000747412216 585178829 /nfs/dbraw/zinc/17/88/29/585178829.db2.gz MPFIJKSRLFWXBX-MNOVXSKESA-N -1 3 239.702 2.511 20 0 BFADHM CC(C)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748479213 585193262 /nfs/dbraw/zinc/19/32/62/585193262.db2.gz ZVPIDDXIYVEDQR-UHFFFAOYSA-N -1 3 246.665 2.998 20 0 BFADHM CCCC1(C(=O)[N-]OCC(C)C)CCC1 ZINC000750232924 585212067 /nfs/dbraw/zinc/21/20/67/585212067.db2.gz MGOZSXXTTIXTMJ-UHFFFAOYSA-N -1 3 213.321 2.661 20 0 BFADHM CCC(CC)(CC)C(=O)[N-]OCC(C)C ZINC000750234176 585212569 /nfs/dbraw/zinc/21/25/69/585212569.db2.gz UYNQVCUVSTZIHA-UHFFFAOYSA-N -1 3 215.337 2.907 20 0 BFADHM Cc1ccc2c(c1)N(C([O-])=NOCC(C)C)CC2 ZINC000750460076 585214962 /nfs/dbraw/zinc/21/49/62/585214962.db2.gz LBYKLCJVRPFYGK-UHFFFAOYSA-N -1 3 248.326 2.655 20 0 BFADHM Cc1ccc2c(c1)N(C(=O)[N-]OCC(C)C)CC2 ZINC000750460076 585214963 /nfs/dbraw/zinc/21/49/63/585214963.db2.gz LBYKLCJVRPFYGK-UHFFFAOYSA-N -1 3 248.326 2.655 20 0 BFADHM CC(C)=C(C)C(=O)Nc1ccccc1[O-] ZINC000751199161 585225583 /nfs/dbraw/zinc/22/55/83/585225583.db2.gz RQOLYCUDRNDZMD-UHFFFAOYSA-N -1 3 205.257 2.687 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)nc2)n1 ZINC000752881216 585251187 /nfs/dbraw/zinc/25/11/87/585251187.db2.gz KKZMWHJEJNLHRJ-HWKANZROSA-N -1 3 247.685 2.709 20 0 BFADHM Cc1cc(C(=O)NC23CCC(CC2)C3)ccc1[O-] ZINC000753133291 585254077 /nfs/dbraw/zinc/25/40/77/585254077.db2.gz SPBKKUNZZYRKDG-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1cc(=O)[n-]c(CSCc2ccccc2)n1 ZINC000754456840 585284726 /nfs/dbraw/zinc/28/47/26/585284726.db2.gz HDDGZLCCJFIMQP-UHFFFAOYSA-N -1 3 246.335 2.924 20 0 BFADHM Cc1ccoc1CN[C@@H](CC(=O)[O-])C(C)(C)C ZINC000756363200 585318357 /nfs/dbraw/zinc/31/83/57/585318357.db2.gz VMZUYBRBVCLPAT-NSHDSACASA-N -1 3 239.315 2.567 20 0 BFADHM O=C(Cc1cccc(C2CC2)c1)[N-]OC1CCC1 ZINC000839776451 585341150 /nfs/dbraw/zinc/34/11/50/585341150.db2.gz LLSRSKKWKKVYME-UHFFFAOYSA-N -1 3 245.322 2.707 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OCc1cscn1 ZINC000758528716 585356862 /nfs/dbraw/zinc/35/68/62/585356862.db2.gz BTJOEKLQDKRKCO-UHFFFAOYSA-N -1 3 249.291 2.514 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OC/C=C/Cl ZINC000758534562 585356922 /nfs/dbraw/zinc/35/69/22/585356922.db2.gz DBAPGKYRUUSCNX-GORDUTHDSA-N -1 3 226.659 2.610 20 0 BFADHM CC(C)(C(=O)[N-]OCC(F)F)C1CCCCC1 ZINC000759334602 585367403 /nfs/dbraw/zinc/36/74/03/585367403.db2.gz MHTNNCWXCKOXDQ-UHFFFAOYSA-N -1 3 249.301 2.906 20 0 BFADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OCC(F)F ZINC000759348697 585370703 /nfs/dbraw/zinc/37/07/03/585370703.db2.gz DOSPIAHGYZNCAG-SECBINFHSA-N -1 3 249.301 2.906 20 0 BFADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OCC(F)F ZINC000759350892 585371080 /nfs/dbraw/zinc/37/10/80/585371080.db2.gz IPDRYJPEIKYEGR-IUCAKERBSA-N -1 3 235.274 2.516 20 0 BFADHM COCCc1csc(-c2ccccc2[O-])n1 ZINC000761795613 585418746 /nfs/dbraw/zinc/41/87/46/585418746.db2.gz XKODQJVKCCLCEH-UHFFFAOYSA-N -1 3 235.308 2.705 20 0 BFADHM Cc1cc(=O)[n-]c(CN2CCCC[C@H]2C(C)C)n1 ZINC000761875572 585421526 /nfs/dbraw/zinc/42/15/26/585421526.db2.gz NRWGHFQVIMREAJ-LBPRGKRZSA-N -1 3 249.358 2.501 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1F ZINC000764442265 585465510 /nfs/dbraw/zinc/46/55/10/585465510.db2.gz MCFCLLOXYYSHBT-PLNGDYQASA-N -1 3 230.242 2.800 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1F ZINC000764442266 585465671 /nfs/dbraw/zinc/46/56/71/585465671.db2.gz MCFCLLOXYYSHBT-SNAWJCMRSA-N -1 3 230.242 2.800 20 0 BFADHM CC(=O)[N-]OCc1ccc(-c2ccsc2)cc1 ZINC000766711696 585506311 /nfs/dbraw/zinc/50/63/11/585506311.db2.gz PXTXHCAODYCWDG-UHFFFAOYSA-N -1 3 247.319 2.983 20 0 BFADHM O=C([N-]CCC1=CCCCCC1)C(F)(F)F ZINC000768550366 585540389 /nfs/dbraw/zinc/54/03/89/585540389.db2.gz BDUYEBNHWDBPQN-UHFFFAOYSA-N -1 3 235.249 2.946 20 0 BFADHM CC(C)CO[N-]C(=O)C[C@H]1CCC[C@H]1C ZINC000769011618 585547514 /nfs/dbraw/zinc/54/75/14/585547514.db2.gz SCRMILOLSYIBCI-GHMZBOCLSA-N -1 3 213.321 2.517 20 0 BFADHM O=c1ccnc(C=Cc2cncc3ccccc23)[n-]1 ZINC000772805089 585624536 /nfs/dbraw/zinc/62/45/36/585624536.db2.gz FQNWMUUZHSMHAC-AATRIKPKSA-N -1 3 249.273 2.901 20 0 BFADHM O=C([N-]Oc1ccccc1)c1cccc(F)c1F ZINC000773472551 585637720 /nfs/dbraw/zinc/63/77/20/585637720.db2.gz WZUYWRVXBKDNGU-UHFFFAOYSA-N -1 3 249.216 2.689 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@@H]1CC12CCCC2 ZINC000777963659 585724559 /nfs/dbraw/zinc/72/45/59/585724559.db2.gz XAECZVOSANVXSI-LBPRGKRZSA-N -1 3 237.343 2.947 20 0 BFADHM O=C(CCc1ccccc1)[N-]OC1CCCCC1 ZINC000777968098 585724724 /nfs/dbraw/zinc/72/47/24/585724724.db2.gz RXNKDLSQIZDUGM-UHFFFAOYSA-N -1 3 247.338 3.000 20 0 BFADHM Cc1cc(C(=O)OCc2nccs2)ccc1[O-] ZINC000778852603 585741788 /nfs/dbraw/zinc/74/17/88/585741788.db2.gz IRDDYGVMGPQNPI-UHFFFAOYSA-N -1 3 249.291 2.514 20 0 BFADHM Cc1cc(C(=O)OCC2CCC2)ccc1[O-] ZINC000778855395 585741794 /nfs/dbraw/zinc/74/17/94/585741794.db2.gz JBKHHTFCCUVYRX-UHFFFAOYSA-N -1 3 220.268 2.658 20 0 BFADHM CCC/C=C\C(=O)Nc1c(C)cccc1[O-] ZINC000778958830 585742924 /nfs/dbraw/zinc/74/29/24/585742924.db2.gz SBFXOXTVSRZWRQ-UITAMQMPSA-N -1 3 219.284 2.995 20 0 BFADHM Cc1ccc(C(=O)NOC2CCCCC2)c([O-])c1 ZINC000779321696 585751008 /nfs/dbraw/zinc/75/10/08/585751008.db2.gz MMRFRDVAPADQKQ-UHFFFAOYSA-N -1 3 249.310 2.695 20 0 BFADHM CC/C(C)=C(/C)C(=O)[N-]OCc1ccccc1 ZINC000780855380 585785448 /nfs/dbraw/zinc/78/54/48/585785448.db2.gz JROUXLCMIBTOKW-QXMHVHEDSA-N -1 3 233.311 2.981 20 0 BFADHM CC/C(C)=C(\C)C(=O)[N-]OC1CCCC1 ZINC000781015413 585788735 /nfs/dbraw/zinc/78/87/35/585788735.db2.gz VVMUYRQZNKBWCK-MDZDMXLPSA-N -1 3 211.305 2.723 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000781616493 585800693 /nfs/dbraw/zinc/80/06/93/585800693.db2.gz OYIOFYAPIQZCJO-CMPLNLGQSA-N -1 3 247.338 2.873 20 0 BFADHM O=C(C=C1CCCC1)Nc1ccc([O-])cc1F ZINC000782852741 585824910 /nfs/dbraw/zinc/82/49/10/585824910.db2.gz KPUXQMLRPHNTOF-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM CSCCOC(=O)c1cc([O-])ccc1Cl ZINC000785870227 585882304 /nfs/dbraw/zinc/88/23/04/585882304.db2.gz NAKDSUKJHQDJHL-UHFFFAOYSA-N -1 3 246.715 2.565 20 0 BFADHM CCCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786343797 585890260 /nfs/dbraw/zinc/89/02/60/585890260.db2.gz MMVATYUFNPTDSK-UHFFFAOYSA-N -1 3 224.304 2.798 20 0 BFADHM CCCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786343797 585890261 /nfs/dbraw/zinc/89/02/61/585890261.db2.gz MMVATYUFNPTDSK-UHFFFAOYSA-N -1 3 224.304 2.798 20 0 BFADHM CC/C(C)=C(/C)C(=O)Nc1nc(C)ccc1[O-] ZINC000790071944 585957335 /nfs/dbraw/zinc/95/73/35/585957335.db2.gz BYVBRHOITSLIDX-NTMALXAHSA-N -1 3 234.299 2.781 20 0 BFADHM CCC[C@@](C)(CC)C(=O)[N-]OCC(F)(F)F ZINC000793679465 586024986 /nfs/dbraw/zinc/02/49/86/586024986.db2.gz JCZPPQDTVKOAFG-SECBINFHSA-N -1 3 241.253 2.813 20 0 BFADHM CSCCO[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000794184133 586033728 /nfs/dbraw/zinc/03/37/28/586033728.db2.gz PILLTTVKPZAJOS-GHMZBOCLSA-N -1 3 245.388 2.614 20 0 BFADHM O=C(/C=C\c1cccs1)[N-]OC/C=C/Cl ZINC000794306095 586037556 /nfs/dbraw/zinc/03/75/56/586037556.db2.gz PYHVFIQQJXJRGJ-IGJKLHEQSA-N -1 3 243.715 2.562 20 0 BFADHM CCCC[C@@H](C)C(=O)[N-]OC[C@H](C)CC ZINC000794842510 586050272 /nfs/dbraw/zinc/05/02/72/586050272.db2.gz KMYAOLPGEQCHAG-GHMZBOCLSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)CC ZINC000794843271 586050994 /nfs/dbraw/zinc/05/09/94/586050994.db2.gz QFVUZAKWUGPODU-JTQLQIEISA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC[C@@H](C)SC ZINC000794853250 586051150 /nfs/dbraw/zinc/05/11/50/586051150.db2.gz MTPJWNFLVULHIW-NXEZZACHSA-N -1 3 233.377 2.612 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C)c(C)c1 ZINC000794855260 586051788 /nfs/dbraw/zinc/05/17/88/586051788.db2.gz YOMXBZCJUKWMKV-NSHDSACASA-N -1 3 249.354 2.940 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC1=CCCCC1 ZINC000794864083 586052094 /nfs/dbraw/zinc/05/20/94/586052094.db2.gz KKGBJLDFNKPMRT-LLVKDONJSA-N -1 3 225.332 2.971 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CCCC1CC1 ZINC000794873323 586052445 /nfs/dbraw/zinc/05/24/45/586052445.db2.gz CLLLLZDGPXBORZ-SNVBAGLBSA-N -1 3 213.321 2.661 20 0 BFADHM O=C(C[C@H]1CCC(F)(F)C1)[N-]OC1CCCC1 ZINC000797971163 586134983 /nfs/dbraw/zinc/13/49/83/586134983.db2.gz IOPBHAVSJNFGOE-SECBINFHSA-N -1 3 247.285 2.802 20 0 BFADHM CC[C@@H](C)CCC(=O)[N-]OC1CCCC1 ZINC000803030530 586332249 /nfs/dbraw/zinc/33/22/49/586332249.db2.gz XGWUKBKERFNMFB-SNVBAGLBSA-N -1 3 213.321 2.803 20 0 BFADHM O=C(OCCCCF)c1ccc(Cl)cc1[O-] ZINC000803225197 586338731 /nfs/dbraw/zinc/33/87/31/586338731.db2.gz SBXWFIJJXDNFTM-UHFFFAOYSA-N -1 3 246.665 2.952 20 0 BFADHM O=C(OCCCCF)c1cccc(Cl)c1[O-] ZINC000803420652 586353962 /nfs/dbraw/zinc/35/39/62/586353962.db2.gz LSXHFZKATJACRG-UHFFFAOYSA-N -1 3 246.665 2.952 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1C ZINC000804297910 586389070 /nfs/dbraw/zinc/38/90/70/586389070.db2.gz PNJSUDGCVFSTJW-YPMHNXCESA-N -1 3 245.322 2.634 20 0 BFADHM C[C@H]1C[C@H]1COC(=O)c1cc([O-])ccc1Cl ZINC000859665661 589053568 /nfs/dbraw/zinc/05/35/68/589053568.db2.gz UHFFTAOEGSBFJN-YUMQZZPRSA-N -1 3 240.686 2.858 20 0 BFADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cn1 ZINC000808470931 586475470 /nfs/dbraw/zinc/47/54/70/586475470.db2.gz NQCBRLDMJUCBGW-LURJTMIESA-N -1 3 248.660 2.567 20 0 BFADHM Cc1ccccc1NC([O-])=NOC/C=C/Cl ZINC000810142397 586535464 /nfs/dbraw/zinc/53/54/64/586535464.db2.gz YRUAIWUXNJYTPC-QPJJXVBHSA-N -1 3 240.690 2.801 20 0 BFADHM Cc1ccccc1NC(=O)[N-]OC/C=C/Cl ZINC000810142397 586535465 /nfs/dbraw/zinc/53/54/65/586535465.db2.gz YRUAIWUXNJYTPC-QPJJXVBHSA-N -1 3 240.690 2.801 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@@H]1CCCSC1 ZINC000810689310 586544590 /nfs/dbraw/zinc/54/45/90/586544590.db2.gz DLOUKLWSXJEQTH-SNVBAGLBSA-N -1 3 243.372 2.510 20 0 BFADHM CCc1cc(C(=O)OCC2CCC2)ccc1[O-] ZINC000811306054 586557842 /nfs/dbraw/zinc/55/78/42/586557842.db2.gz CROMEQATZWSHHA-UHFFFAOYSA-N -1 3 234.295 2.912 20 0 BFADHM C/C=C\COC(=O)c1ccc([O-])c(CC)c1 ZINC000811305644 586557858 /nfs/dbraw/zinc/55/78/58/586557858.db2.gz QRINJWYMIJJMPN-HYXAFXHYSA-N -1 3 220.268 2.688 20 0 BFADHM CCc1cc(C(=O)OCCCCF)ccc1[O-] ZINC000811305127 586557953 /nfs/dbraw/zinc/55/79/53/586557953.db2.gz HNEMBDZWEDVYDO-UHFFFAOYSA-N -1 3 240.274 2.861 20 0 BFADHM CC1(C(=O)[N-]OC/C=C\Cl)CCCCC1 ZINC000812399004 586575658 /nfs/dbraw/zinc/57/56/58/586575658.db2.gz FBZVDAJLPURAJU-YVMONPNESA-N -1 3 231.723 2.757 20 0 BFADHM C[C@@H](O[N-]C(=O)C(C)(C)C)c1ccccc1 ZINC000812414991 586577137 /nfs/dbraw/zinc/57/71/37/586577137.db2.gz WEYVSQHLJUVODC-SNVBAGLBSA-N -1 3 221.300 2.842 20 0 BFADHM O=C(CCCC1CC1)[N-]OC1CCCC1 ZINC000812542929 586578840 /nfs/dbraw/zinc/57/88/40/586578840.db2.gz MKDKFXVWSRSECM-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM C[C@@H]1[C@H](C(=O)[N-]OC2CCC2)[C@H]1c1ccccc1 ZINC000812791138 586585095 /nfs/dbraw/zinc/58/50/95/586585095.db2.gz IHQUMIZIRZUZSK-GDLCADMTSA-N -1 3 245.322 2.636 20 0 BFADHM O=C(CCCc1cccs1)[N-]OC1CCC1 ZINC000812792685 586585454 /nfs/dbraw/zinc/58/54/54/586585454.db2.gz DUYISNJEGRWKDV-UHFFFAOYSA-N -1 3 239.340 2.671 20 0 BFADHM CC(C)(C(=O)[N-]OC1CCC1)C1CCCC1 ZINC000812792290 586585549 /nfs/dbraw/zinc/58/55/49/586585549.db2.gz SQQDCUCVQPZYAR-UHFFFAOYSA-N -1 3 225.332 2.803 20 0 BFADHM CC(C)(C)CCCC(=O)[N-]OC1CCC1 ZINC000812796071 586586212 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/nfs/dbraw/zinc/94/15/66/976941566.db2.gz NMYROKNTXSMRFP-MRVPVSSYSA-N -1 3 224.304 2.612 20 0 BFADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C ZINC001174827888 977087939 /nfs/dbraw/zinc/08/79/39/977087939.db2.gz PNCSVRMMMNGPDM-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM O=c1cc(Nc2ccc(O)cc2)nc(C2CC2)[n-]1 ZINC001175039106 977231494 /nfs/dbraw/zinc/23/14/94/977231494.db2.gz GWTIYZYTPPGWLE-UHFFFAOYSA-N -1 3 243.266 2.509 20 0 BFADHM CCn1nccc1Nc1c(F)ccc([O-])c1F ZINC001175261612 977359414 /nfs/dbraw/zinc/35/94/14/977359414.db2.gz OMCAUKIFCOVYMN-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM Cc1cncnc1Nc1c(F)ccc([O-])c1F ZINC001175265887 977363051 /nfs/dbraw/zinc/36/30/51/977363051.db2.gz LUEADXPBVKMXEP-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1ncncc1Nc1c(F)ccc([O-])c1F ZINC001175262358 977363740 /nfs/dbraw/zinc/36/37/40/977363740.db2.gz FQASNYVMIXHZNR-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM CC[C@H](C)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074343 977460884 /nfs/dbraw/zinc/46/08/84/977460884.db2.gz UAQMWSJKGYZURY-VHSXEESVSA-N -1 3 246.314 2.680 20 0 BFADHM CC(C)C[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231117759 977486875 /nfs/dbraw/zinc/48/68/75/977486875.db2.gz FZJYQOLHLOOYDB-SNVBAGLBSA-N -1 3 246.314 2.680 20 0 BFADHM CC(C)C[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231117759 977486894 /nfs/dbraw/zinc/48/68/94/977486894.db2.gz FZJYQOLHLOOYDB-SNVBAGLBSA-N -1 3 246.314 2.680 20 0 BFADHM CCc1nnc([N-]c2cccc3c[nH]nc32)s1 ZINC001175634965 977604402 /nfs/dbraw/zinc/60/44/02/977604402.db2.gz AWLMIGVMZAGCPZ-UHFFFAOYSA-N -1 3 245.311 2.720 20 0 BFADHM [O-]c1ccc(CN2CCCO2)cc1C(F)(F)F ZINC001231524017 977629861 /nfs/dbraw/zinc/62/98/61/977629861.db2.gz KDLUQKKRSOSWKS-UHFFFAOYSA-N -1 3 247.216 2.548 20 0 BFADHM C[C@H]1CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231730475 977715341 /nfs/dbraw/zinc/71/53/41/977715341.db2.gz BHHCSSIWQQEQFX-QMMMGPOBSA-N -1 3 211.692 2.640 20 0 BFADHM [O-]c1cc(CN2CC3CC(C3)C2)ccc1Cl ZINC001231734798 977716136 /nfs/dbraw/zinc/71/61/36/977716136.db2.gz FIPPJKCIRHNOEE-UHFFFAOYSA-N -1 3 237.730 2.887 20 0 BFADHM [O-]c1c(F)cc(Nc2ccc(F)cn2)cc1F ZINC001175851407 977780160 /nfs/dbraw/zinc/78/01/60/977780160.db2.gz YBMXTMRNWZCOHN-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM [O-]c1cnc(Cl)cc1Nc1ccc(F)cn1 ZINC001175852146 977786520 /nfs/dbraw/zinc/78/65/20/977786520.db2.gz XALWZPHOHBJOKO-UHFFFAOYSA-N -1 3 239.637 2.718 20 0 BFADHM [O-]c1c(F)cc(F)cc1Nc1cscn1 ZINC001175945744 977852196 /nfs/dbraw/zinc/85/21/96/977852196.db2.gz KSNADCCNTAXVBE-UHFFFAOYSA-N -1 3 228.223 2.871 20 0 BFADHM CC(C)c1nnc([N-]c2ccc(O)cc2F)o1 ZINC001176407276 978074170 /nfs/dbraw/zinc/07/41/70/978074170.db2.gz ACAFIZRKNDFOPV-UHFFFAOYSA-N -1 3 237.234 2.781 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc(O)cc1F ZINC001176413459 978082455 /nfs/dbraw/zinc/08/24/55/978082455.db2.gz QUYHFLHVVJQKPS-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM Cc1nonc1[N-]c1ccccc1Cl ZINC001176551482 978125369 /nfs/dbraw/zinc/12/53/69/978125369.db2.gz RBZSDULHYJUSNJ-UHFFFAOYSA-N -1 3 209.636 2.775 20 0 BFADHM Cc1ncc(Nc2ccccc2Cl)c(=O)[n-]1 ZINC001176553233 978127730 /nfs/dbraw/zinc/12/77/30/978127730.db2.gz UTXLWHRSJIYGMT-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM O=c1[n-]cncc1Nc1ccccc1Cl ZINC001176552454 978129792 /nfs/dbraw/zinc/12/97/92/978129792.db2.gz BUWABBKDIKQFEO-UHFFFAOYSA-N -1 3 221.647 2.579 20 0 BFADHM Cc1noc([N-][C@@H](C)c2ccc(Cl)cn2)n1 ZINC001337146988 978183694 /nfs/dbraw/zinc/18/36/94/978183694.db2.gz YKVAYGTWBVPVOS-LURJTMIESA-N -1 3 238.678 2.600 20 0 BFADHM [O-]c1cccc(CN2CC3CC(C3)C2)c1Cl ZINC001232789750 978276869 /nfs/dbraw/zinc/27/68/69/978276869.db2.gz RBJFCZXVSFZHFL-UHFFFAOYSA-N -1 3 237.730 2.887 20 0 BFADHM Cc1nc(C)c(C(=O)[N-]c2cnoc2C(C)C)o1 ZINC001337409589 978326697 /nfs/dbraw/zinc/32/66/97/978326697.db2.gz NDOMXUWJDKXBFR-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM C[C@@H]1CCCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232932128 978342403 /nfs/dbraw/zinc/34/24/03/978342403.db2.gz CJBLPZSHZXRWKI-SECBINFHSA-N -1 3 241.281 2.902 20 0 BFADHM [O-]c1cc(CN2CCC3(CC3)C2)cc(F)c1F ZINC001232971145 978377793 /nfs/dbraw/zinc/37/77/93/978377793.db2.gz VTQOGPMVFXSKKB-UHFFFAOYSA-N -1 3 239.265 2.656 20 0 BFADHM [O-]c1cccc(CN2CCCC[C@H](F)C2)c1F ZINC001233050564 978442061 /nfs/dbraw/zinc/44/20/61/978442061.db2.gz PWKXXARUAUJYSQ-NSHDSACASA-N -1 3 241.281 2.855 20 0 BFADHM CC(=O)C1CCN(Cc2ccc([S-])cc2)CC1 ZINC001233261393 978519487 /nfs/dbraw/zinc/51/94/87/978519487.db2.gz NOAANRDOJLKCRK-UHFFFAOYSA-N -1 3 249.379 2.776 20 0 BFADHM Cc1cc([O-])c(Cl)cc1OC[C@@H]1CCCO1 ZINC001233593029 978638369 /nfs/dbraw/zinc/63/83/69/978638369.db2.gz SPOJYLYTBYHBQH-VIFPVBQESA-N -1 3 242.702 2.912 20 0 BFADHM CC(C)[C@H](C)Oc1ccc2occ([O-])c2c1 ZINC001233677641 978671833 /nfs/dbraw/zinc/67/18/33/978671833.db2.gz MBZSXTZRZRGBSC-VIFPVBQESA-N -1 3 220.268 2.685 20 0 BFADHM C[C@H](Oc1cccc([O-])c1F)C(F)(F)F ZINC001233867613 978705517 /nfs/dbraw/zinc/70/55/17/978705517.db2.gz GPCPGRMYPSTLLW-YFKPBYRVSA-N -1 3 224.153 2.861 20 0 BFADHM [O-]c1cccc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1F ZINC001233871553 978719090 /nfs/dbraw/zinc/71/90/90/978719090.db2.gz PZZWFAZMMPXRTC-SBMIAAHKSA-N -1 3 220.243 2.875 20 0 BFADHM CO[C@H](C)CCOc1c([O-])cc(Cl)cc1F ZINC001234445710 978837460 /nfs/dbraw/zinc/83/74/60/978837460.db2.gz AQUXXQMSZRXFIW-SSDOTTSWSA-N -1 3 248.681 2.989 20 0 BFADHM C[C@@H](Oc1nc2c(cccc2[O-])[nH]1)C(F)(F)F ZINC001234448863 978838266 /nfs/dbraw/zinc/83/82/66/978838266.db2.gz CYIGNVATGOLNDZ-RXMQYKEDSA-N -1 3 246.188 2.598 20 0 BFADHM CC(=O)[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448434 978838703 /nfs/dbraw/zinc/83/87/03/978838703.db2.gz RYSNZMZPNCSODX-LURJTMIESA-N -1 3 232.638 2.541 20 0 BFADHM [O-]c1cc(Cl)cc(F)c1OC1CC1 ZINC001234447675 978839315 /nfs/dbraw/zinc/83/93/15/978839315.db2.gz MGYZFJUTBISDEJ-UHFFFAOYSA-N -1 3 202.612 2.726 20 0 BFADHM FC1(F)CC(Oc2nc3ccsc3[n-]2)C1 ZINC001234848242 978914647 /nfs/dbraw/zinc/91/46/47/978914647.db2.gz OJWLWEVFNRTKTP-UHFFFAOYSA-N -1 3 230.239 2.801 20 0 BFADHM c1cc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[n-]c2s1 ZINC001234848823 978916614 /nfs/dbraw/zinc/91/66/14/978916614.db2.gz VTRDISIITOHXBK-QXFUBDJGSA-N -1 3 232.308 2.968 20 0 BFADHM c1cc2[n-]c(O[C@@H]3C[C@H]4C=C[C@@H]3C4)nc2s1 ZINC001234848823 978916621 /nfs/dbraw/zinc/91/66/21/978916621.db2.gz VTRDISIITOHXBK-QXFUBDJGSA-N -1 3 232.308 2.968 20 0 BFADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H]1CC1(C)C ZINC001181298402 979033766 /nfs/dbraw/zinc/03/37/66/979033766.db2.gz FKUOBCGHJPILJI-SNVBAGLBSA-N -1 3 247.294 2.579 20 0 BFADHM Cc1ncnc(-c2cc([O-])cc(Cl)c2)c1F ZINC001235899164 979190249 /nfs/dbraw/zinc/19/02/49/979190249.db2.gz FHYZOBGEHFAINE-UHFFFAOYSA-N -1 3 238.649 2.950 20 0 BFADHM COc1ccc(-c2cc([O-])cc(Cl)c2)nn1 ZINC001235899346 979190783 /nfs/dbraw/zinc/19/07/83/979190783.db2.gz KIEVRJXIHWRMHI-UHFFFAOYSA-N -1 3 236.658 2.511 20 0 BFADHM [O-]c1cc(Cl)cc(-c2cnc3[nH]ccc3n2)c1 ZINC001235901168 979194064 /nfs/dbraw/zinc/19/40/64/979194064.db2.gz SHZYDOAOPSGISS-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM 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ZINC001603869917 979533189 /nfs/dbraw/zinc/53/31/89/979533189.db2.gz BFZQDKSLBCAVLK-SCZZXKLOSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@H]1CSc1ccc(-c2nn[n-]n2)cc1 ZINC001603869917 979533200 /nfs/dbraw/zinc/53/32/00/979533200.db2.gz BFZQDKSLBCAVLK-SCZZXKLOSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@@H]1CSc1ccc(-c2nnn[n-]2)cc1 ZINC001603869916 979536652 /nfs/dbraw/zinc/53/66/52/979536652.db2.gz BFZQDKSLBCAVLK-PSASIEDQSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@@H]1CSc1ccc(-c2nn[n-]n2)cc1 ZINC001603869916 979536657 /nfs/dbraw/zinc/53/66/57/979536657.db2.gz BFZQDKSLBCAVLK-PSASIEDQSA-N -1 3 246.339 2.615 20 0 BFADHM CC/C=C/CCOc1cccc(-c2nnn[n-]2)c1 ZINC001604118225 979580316 /nfs/dbraw/zinc/58/03/16/979580316.db2.gz GNIAAARKUJXEAL-ONEGZZNKSA-N -1 3 244.298 2.602 20 0 BFADHM CC/C=C/CCOc1cccc(-c2nn[n-]n2)c1 ZINC001604118225 979580321 /nfs/dbraw/zinc/58/03/21/979580321.db2.gz GNIAAARKUJXEAL-ONEGZZNKSA-N -1 3 244.298 2.602 20 0 BFADHM C[C@@H](N[C@H]1CC12CCCC2)c1cc(C(=O)[O-])co1 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ZINC000334246551 178396176 /nfs/dbraw/zinc/39/61/76/178396176.db2.gz ILAHVERBPSCELT-WCQYABFASA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC000148888354 178398803 /nfs/dbraw/zinc/39/88/03/178398803.db2.gz VZZGGFVBTGATRQ-RYUDHWBXSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1ccc(NC(=O)c2ccccc2N)c([O-])c1 ZINC000010172944 342719846 /nfs/dbraw/zinc/71/98/46/342719846.db2.gz VCVXOEJBBKOMBO-UHFFFAOYSA-N -1 3 242.278 2.535 20 0 BFADHM Cc1cccc(C(=O)NC[C@@H](C)C(C)C)c1[O-] ZINC000081066937 342746530 /nfs/dbraw/zinc/74/65/30/342746530.db2.gz RVDWPELKHXVODA-LLVKDONJSA-N -1 3 235.327 2.723 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccoc2)c1 ZINC000042356158 361984035 /nfs/dbraw/zinc/98/40/35/361984035.db2.gz HTLOJDPASPJCOR-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM CCC(CC)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000342200010 168399938 /nfs/dbraw/zinc/39/99/38/168399938.db2.gz AIVYUFBMIZDWSN-SECBINFHSA-N -1 3 236.315 2.798 20 0 BFADHM CCCN(C)Cc1cc([O-])ccc1Cl ZINC000625118523 342876875 /nfs/dbraw/zinc/87/68/75/342876875.db2.gz RQZHJEBYTQKQGQ-UHFFFAOYSA-N -1 3 213.708 2.887 20 0 BFADHM CN(Cc1cc([O-])ccc1Cl)CC(F)F ZINC000625136276 342887439 /nfs/dbraw/zinc/88/74/39/342887439.db2.gz JRIDNMRAMWMKPY-UHFFFAOYSA-N -1 3 235.661 2.743 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)C12CC(C1)C2 ZINC000628035590 342888718 /nfs/dbraw/zinc/88/87/18/342888718.db2.gz VBQIEPBVFYLEEY-UHFFFAOYSA-N -1 3 237.686 2.784 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1c(C)cccc1[O-] ZINC000628036597 342889079 /nfs/dbraw/zinc/88/90/79/342889079.db2.gz DWYBGZFLIBLRHX-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCCC2CC2)c1 ZINC000134796740 342890456 /nfs/dbraw/zinc/89/04/56/342890456.db2.gz JKPDRPPRERMYAQ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CC[C@@H]1CCCN1C(=O)c1c(C)cccc1[O-] ZINC000625193914 342906532 /nfs/dbraw/zinc/90/65/32/342906532.db2.gz QAUROAZYLYQOIG-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM CCCCn1[n-]c(CC)c(C(C)C)c1=O ZINC000634585573 342928718 /nfs/dbraw/zinc/92/87/18/342928718.db2.gz KFMDEDSQAFLFSI-LLVKDONJSA-N -1 3 210.321 2.667 20 0 BFADHM CCCCn1[n-]c(CC)c(C(C)C)c1=O ZINC000634585574 342928732 /nfs/dbraw/zinc/92/87/32/342928732.db2.gz KFMDEDSQAFLFSI-NSHDSACASA-N -1 3 210.321 2.667 20 0 BFADHM CCc1cc(C(=O)NCCC2(C)CC2)ccc1[O-] ZINC000487555812 529516991 /nfs/dbraw/zinc/51/69/91/529516991.db2.gz HDNFTPRBPNFDAG-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CCc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000487373053 529520241 /nfs/dbraw/zinc/52/02/41/529520241.db2.gz BHDMPQFBBMUGHT-MFKMUULPSA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cc(C(=O)N[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487373051 529520350 /nfs/dbraw/zinc/52/03/50/529520350.db2.gz BHDMPQFBBMUGHT-GWCFXTLKSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@@H](c1ccccc1)n1[n-]c2c(c1=O)[C@H](C)CC2 ZINC000634600032 342991389 /nfs/dbraw/zinc/99/13/89/342991389.db2.gz VMNGZNGWVOFLLC-UHIISALHSA-N -1 3 242.322 2.992 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042435329 342996614 /nfs/dbraw/zinc/99/66/14/342996614.db2.gz YIYYNRKRDPDWIQ-ZJUUUORDSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1cccc(Cn2[n-]c3c(c2=O)[C@@H](C)CC3)c1 ZINC000634604517 342998808 /nfs/dbraw/zinc/99/88/08/342998808.db2.gz IVDVUYNLVWJXQT-SMDDNHRTSA-N -1 3 242.322 2.739 20 0 BFADHM C[C@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c21 ZINC000634607996 343003531 /nfs/dbraw/zinc/00/35/31/343003531.db2.gz NUDQVEHTDAWFSE-TVQRCGJNSA-N -1 3 246.285 2.570 20 0 BFADHM C[C@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c21 ZINC000634607997 343003558 /nfs/dbraw/zinc/00/35/58/343003558.db2.gz NUDQVEHTDAWFSE-ZANVPECISA-N -1 3 246.285 2.570 20 0 BFADHM CCc1ccc(/C=C/C(=O)[N-]OCCC2CC2)o1 ZINC000492854934 529583089 /nfs/dbraw/zinc/58/30/89/529583089.db2.gz RTHPKGGRTSIOCK-BQYQJAHWSA-N -1 3 249.310 2.703 20 0 BFADHM CCc1[n-]n(-c2ccnc(C)c2)c(=O)c1C(C)C ZINC000634619261 343018340 /nfs/dbraw/zinc/01/83/40/343018340.db2.gz UAFBKUDXINQVMQ-CYBMUJFWSA-N -1 3 245.326 2.775 20 0 BFADHM CC(C)(C)CCn1ncc2cc([O-])ccc2c1=O ZINC000634620881 343020135 /nfs/dbraw/zinc/02/01/35/343020135.db2.gz SGCUHSVJAPOMFR-UHFFFAOYSA-N -1 3 246.310 2.538 20 0 BFADHM CCC(CC)Cn1[n-]c(C)c(C2CC2)c1=O ZINC000634621863 343020277 /nfs/dbraw/zinc/02/02/77/343020277.db2.gz RGGDIWZVRSCWDD-GFCCVEGCSA-N -1 3 222.332 2.667 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000368254191 187220423 /nfs/dbraw/zinc/22/04/23/187220423.db2.gz VPKKZQZUDMQRTA-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C1CC1 ZINC000634629520 343032610 /nfs/dbraw/zinc/03/26/10/343032610.db2.gz WIQCHCJLWNLVJT-LBPRGKRZSA-N -1 3 234.343 2.811 20 0 BFADHM CC(C)N(C(=O)c1ccc(O)cc1[O-])C1CCC1 ZINC000121819349 187222931 /nfs/dbraw/zinc/22/29/31/187222931.db2.gz UBIAEHSNSJBVAU-UHFFFAOYSA-N -1 3 249.310 2.501 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000176253516 365699311 /nfs/dbraw/zinc/69/93/11/365699311.db2.gz XDPOLCWIKYCHDI-NXEZZACHSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1cc(OC[C@H]2C[C@H]2C)cc2occ([O-])c21 ZINC000634560326 362049516 /nfs/dbraw/zinc/04/95/16/362049516.db2.gz DWUXKEBLVOTSDJ-PSASIEDQSA-N -1 3 232.279 2.605 20 0 BFADHM CC(C)=CCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000124593393 343163421 /nfs/dbraw/zinc/16/34/21/343163421.db2.gz JPJLXIJKRPLTHN-UHFFFAOYSA-N -1 3 245.322 2.709 20 0 BFADHM CC[C@H](C)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124576319 343163513 /nfs/dbraw/zinc/16/35/13/343163513.db2.gz SINYNMXBCWSXPC-JTQLQIEISA-N -1 3 233.311 2.541 20 0 BFADHM Cc1ccsc1CNc1ccncc1C(=O)[O-] ZINC000126330260 343169721 /nfs/dbraw/zinc/16/97/21/343169721.db2.gz IFYVSBRJFVGYLX-UHFFFAOYSA-N -1 3 248.307 2.762 20 0 BFADHM CCCN(CCC)Cc1cc(C(=O)[O-])co1 ZINC000051330227 343255517 /nfs/dbraw/zinc/25/55/17/343255517.db2.gz QQHJQZNMLLVJBO-UHFFFAOYSA-N -1 3 225.288 2.600 20 0 BFADHM CCN(Cc1cc(C(=O)[O-])oc1C)C(C)C ZINC000051361376 343256079 /nfs/dbraw/zinc/25/60/79/343256079.db2.gz UDRZSABEWKNKCQ-UHFFFAOYSA-N -1 3 225.288 2.517 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000035239094 343290891 /nfs/dbraw/zinc/29/08/91/343290891.db2.gz LBWWFFJCFIZSRM-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624590291 344032634 /nfs/dbraw/zinc/03/26/34/344032634.db2.gz VYWOPLMIYIUFMS-KOLCDFICSA-N -1 3 235.327 2.865 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042559395 343443921 /nfs/dbraw/zinc/44/39/21/343443921.db2.gz UJALSZXVZDNKDR-ZJUUUORDSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1ccnc(C)c1NC([O-])=NOC1CCCC1 ZINC000287610759 187345925 /nfs/dbraw/zinc/34/59/25/187345925.db2.gz SUKDAYAMIWJKIK-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM Cc1ccnc(C)c1NC(=O)[N-]OC1CCCC1 ZINC000287610759 187345927 /nfs/dbraw/zinc/34/59/27/187345927.db2.gz SUKDAYAMIWJKIK-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM CC(C)C[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291442408 187347876 /nfs/dbraw/zinc/34/78/76/187347876.db2.gz BDTSFMHGIXQJCU-ORAHPGNNSA-N -1 3 233.739 2.859 20 0 BFADHM CC(C)=CCNCc1c(F)ccc([O-])c1F ZINC000294548692 187351329 /nfs/dbraw/zinc/35/13/29/187351329.db2.gz FCROUEQPYNYBQS-UHFFFAOYSA-N -1 3 227.254 2.726 20 0 BFADHM CCCCO[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000065617261 343815309 /nfs/dbraw/zinc/81/53/09/343815309.db2.gz HADJTJKRLPLWCJ-JTQLQIEISA-N -1 3 237.299 2.536 20 0 BFADHM COc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c([O-])c1 ZINC000442702210 537824007 /nfs/dbraw/zinc/82/40/07/537824007.db2.gz ZFRQYEBKIGRJLA-MNOVXSKESA-N -1 3 249.310 2.631 20 0 BFADHM CC(=O)c1cccc(NC(=O)CC(C)C)c1[O-] ZINC000570590326 323064115 /nfs/dbraw/zinc/06/41/15/323064115.db2.gz PITMEZJAAKQKNT-UHFFFAOYSA-N -1 3 235.283 2.579 20 0 BFADHM Cc1ncoc1C(=O)[N-]c1cc(F)ccc1F ZINC000083083081 344170660 /nfs/dbraw/zinc/17/06/60/344170660.db2.gz UKCWHAXUOLGMFN-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM O=C([O-])c1cccc(CNCc2ccccc2)c1 ZINC000041582036 344435975 /nfs/dbraw/zinc/43/59/75/344435975.db2.gz GBUZVDXRKNCHEJ-UHFFFAOYSA-N -1 3 241.290 2.675 20 0 BFADHM CC[C@@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000042437559 344453236 /nfs/dbraw/zinc/45/32/36/344453236.db2.gz CWMAHBJAQSEODD-NSHDSACASA-N -1 3 241.718 2.635 20 0 BFADHM Cc1cccc(C(=O)NCCCC2CC2)c1[O-] ZINC000127816427 344659136 /nfs/dbraw/zinc/65/91/36/344659136.db2.gz CXFGDGFBVUFMEX-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1ccc(/C=C\C(=O)[N-]OC2CCCC2)o1 ZINC000331362995 345251677 /nfs/dbraw/zinc/25/16/77/345251677.db2.gz BUPZCOKCUNLGAD-HJWRWDBZSA-N -1 3 235.283 2.592 20 0 BFADHM O=[S@@](CCc1ccccc1)c1ccc([O-])cc1 ZINC000151372812 345340375 /nfs/dbraw/zinc/34/03/75/345340375.db2.gz GGRUSWBASNKQEG-QGZVFWFLSA-N -1 3 246.331 2.743 20 0 BFADHM [O-]c1cc(F)cc(CNCc2ccsc2)c1 ZINC000159600770 345445986 /nfs/dbraw/zinc/44/59/86/345445986.db2.gz DVMADOMGIXVVOT-UHFFFAOYSA-N -1 3 237.299 2.883 20 0 BFADHM CCc1cccc(C(=O)N2[C@H](C)CC[C@H]2C)c1[O-] ZINC000092599567 345640623 /nfs/dbraw/zinc/64/06/23/345640623.db2.gz CHPZZXFGAVXBTQ-GHMZBOCLSA-N -1 3 247.338 2.968 20 0 BFADHM CSCCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879785 345790250 /nfs/dbraw/zinc/79/02/50/345790250.db2.gz WZGFZMSBCBPJHO-UHFFFAOYSA-N -1 3 245.731 2.737 20 0 BFADHM CC(C)(C)[C@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000131573276 187359982 /nfs/dbraw/zinc/35/99/82/187359982.db2.gz FRDKGMHFMNGJTM-LBPRGKRZSA-N -1 3 247.338 2.900 20 0 BFADHM Cc1cccc(C(=O)N(C)c2ccccc2)c1[O-] ZINC000019837348 179005406 /nfs/dbraw/zinc/00/54/06/179005406.db2.gz NHKSVMZOCJDVBB-UHFFFAOYSA-N -1 3 241.290 2.977 20 0 BFADHM Cc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115707 179002938 /nfs/dbraw/zinc/00/29/38/179002938.db2.gz HEWCHAMUKQHGES-VOTSOKGWSA-N -1 3 226.279 2.969 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c1[O-] ZINC000153726266 179011301 /nfs/dbraw/zinc/01/13/01/179011301.db2.gz GMMGHQHHGOLVEU-CMPLNLGQSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)C[C@@H]2C)c1[O-] ZINC000051746419 179011343 /nfs/dbraw/zinc/01/13/43/179011343.db2.gz RNXVSTQDSSWKIM-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H](SC)C(=O)Nc1cc(F)ccc1[O-] ZINC000153520969 346299326 /nfs/dbraw/zinc/29/93/26/346299326.db2.gz VZDCSKDMEIBYQI-SNVBAGLBSA-N -1 3 243.303 2.611 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC=CCC1 ZINC000179543590 179160353 /nfs/dbraw/zinc/16/03/53/179160353.db2.gz VNXANCAZPVWHQB-NSHDSACASA-N -1 3 231.295 2.995 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CC1(F)F ZINC000616939976 347505478 /nfs/dbraw/zinc/50/54/78/347505478.db2.gz QVIQPTRUKWAPMQ-ZCFIWIBFSA-N -1 3 247.628 2.639 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])C12CC(C1)C2 ZINC000626227778 347521703 /nfs/dbraw/zinc/52/17/03/347521703.db2.gz GXLCUZVURPGDBJ-UHFFFAOYSA-N -1 3 237.686 2.784 20 0 BFADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OC(C)C ZINC000295799788 179315928 /nfs/dbraw/zinc/31/59/28/179315928.db2.gz ZXJBLHRTFUZTHR-LBPRGKRZSA-N -1 3 235.327 2.945 20 0 BFADHM CC1(C)CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000070259323 349984180 /nfs/dbraw/zinc/98/41/80/349984180.db2.gz COCJANKKNNLNTD-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM O=c1cc(CSCCCF)nc(C2CC2)[n-]1 ZINC000419429870 192135147 /nfs/dbraw/zinc/13/51/47/192135147.db2.gz CTEJPRDZWSCJMI-UHFFFAOYSA-N -1 3 242.319 2.652 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421789660 192381786 /nfs/dbraw/zinc/38/17/86/192381786.db2.gz BLMJWKHQIWWNKQ-OPRDCNLKSA-N -1 3 249.285 2.906 20 0 BFADHM CC[C@H](C)CN(C)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000248755557 349148476 /nfs/dbraw/zinc/14/84/76/349148476.db2.gz PJPCAPAHPJLNSS-GXSJLCMTSA-N -1 3 237.347 2.530 20 0 BFADHM C[C@H](CN(C)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000251149669 349183636 /nfs/dbraw/zinc/18/36/36/349183636.db2.gz XZZQWRVFKBZISP-NXEZZACHSA-N -1 3 239.290 2.539 20 0 BFADHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc([O-])c1 ZINC000618520132 350107743 /nfs/dbraw/zinc/10/77/43/350107743.db2.gz PMHNFYHIDAOIMP-VHRBIJSZSA-N -1 3 245.322 2.558 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c([O-])c1 ZINC000088707520 191019760 /nfs/dbraw/zinc/01/97/60/191019760.db2.gz LYDCPCWKLUXOEV-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(/C=C/c1ccc[nH]1)Nc1cc(F)ccc1[O-] ZINC000188643322 259412231 /nfs/dbraw/zinc/41/22/31/259412231.db2.gz HUTAYHJLKXXKBJ-GQCTYLIASA-N -1 3 246.241 2.511 20 0 BFADHM CCc1cc(C(=O)N[C@]23C[C@H]2CCC3)ccc1[O-] ZINC000617217214 350387862 /nfs/dbraw/zinc/38/78/62/350387862.db2.gz ZTRWBNNHOLGGIV-IUODEOHRSA-N -1 3 245.322 2.627 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2C)c1 ZINC000162941198 350474182 /nfs/dbraw/zinc/47/41/82/350474182.db2.gz JCXGUEGUVHHFOS-QWRGUYRKSA-N -1 3 233.311 2.571 20 0 BFADHM COc1ccc(NC(=O)C2(C)CCCC2)c([O-])c1 ZINC000335725349 538099145 /nfs/dbraw/zinc/09/91/45/538099145.db2.gz AOABRYVVMRGKMP-UHFFFAOYSA-N -1 3 249.310 2.920 20 0 BFADHM Cc1nsc(C)c1C(=O)Nc1ccccc1[O-] ZINC000336420482 180516480 /nfs/dbraw/zinc/51/64/80/180516480.db2.gz WHIWUSYZXVZFDC-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCCCO[N-]C(=O)c1c(F)cccc1Cl ZINC000267896188 351322673 /nfs/dbraw/zinc/32/26/73/351322673.db2.gz WGQIEWLISIFQMA-UHFFFAOYSA-N -1 3 245.681 2.941 20 0 BFADHM CC(C)c1ccoc1C(=O)Nc1ncccc1[O-] ZINC000334469140 353116829 /nfs/dbraw/zinc/11/68/29/353116829.db2.gz YXVUIUQTXMGXIZ-UHFFFAOYSA-N -1 3 246.266 2.756 20 0 BFADHM C[C@@H](CC(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000412246960 191271683 /nfs/dbraw/zinc/27/16/83/191271683.db2.gz JEDMRPMYXGPQMX-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000124486964 188257666 /nfs/dbraw/zinc/25/76/66/188257666.db2.gz QRQAHSJWQHFKOI-RNCFNFMXSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1ccc(NC(=O)/C=C/c2ccco2)c([O-])c1 ZINC000003569961 188275200 /nfs/dbraw/zinc/27/52/00/188275200.db2.gz NZDHSUMGFMBXNU-FNORWQNLSA-N -1 3 243.262 2.946 20 0 BFADHM [O-]C(=NOC1CCCC1)Nc1ccc(F)cc1 ZINC000089265130 188318400 /nfs/dbraw/zinc/31/84/00/188318400.db2.gz SFXSFOHATUHHKC-UHFFFAOYSA-N -1 3 238.262 2.821 20 0 BFADHM O=C([N-]OC1CCCC1)Nc1ccc(F)cc1 ZINC000089265130 188318401 /nfs/dbraw/zinc/31/84/01/188318401.db2.gz SFXSFOHATUHHKC-UHFFFAOYSA-N -1 3 238.262 2.821 20 0 BFADHM CC(C)CO[N-]C(=O)CCCc1cccs1 ZINC000135331511 188331891 /nfs/dbraw/zinc/33/18/91/188331891.db2.gz PQCAMGYUONXJCP-UHFFFAOYSA-N -1 3 241.356 2.775 20 0 BFADHM C/C=C(\C=C\C(=O)[N-]OCc1cccnc1)CC ZINC000155908094 188333245 /nfs/dbraw/zinc/33/32/45/188333245.db2.gz SXBKONWCEDYCIK-LUDCFUFLSA-N -1 3 246.310 2.542 20 0 BFADHM C/C=C(\CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000190894181 188350177 /nfs/dbraw/zinc/35/01/77/188350177.db2.gz QGBQMVPJAQHONA-FPYGCLRLSA-N -1 3 223.247 2.826 20 0 BFADHM C/C(=C\C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000195246809 188353516 /nfs/dbraw/zinc/35/35/16/188353516.db2.gz MOGFJFBSMQBCSQ-CSKARUKUSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)ccc1[O-] ZINC000226718636 188359638 /nfs/dbraw/zinc/35/96/38/188359638.db2.gz YOIUDCQIOYTKHB-BETUJISGSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1ccnc(C[N-]c2nc(C(C)C)no2)c1 ZINC000292683303 188391239 /nfs/dbraw/zinc/39/12/39/188391239.db2.gz DTFFODNFZMBZAR-UHFFFAOYSA-N -1 3 232.287 2.509 20 0 BFADHM CC(C)c1ccc(C(=O)N(C)CC2CC2)c([O-])c1 ZINC000299011390 188395935 /nfs/dbraw/zinc/39/59/35/188395935.db2.gz XJEWXDBSDXAHES-UHFFFAOYSA-N -1 3 247.338 2.998 20 0 BFADHM Cc1cc([C@@H](C)N2CC=C(C)CC2)oc1C(=O)[O-] ZINC000577878657 366095151 /nfs/dbraw/zinc/09/51/51/366095151.db2.gz RHJUHNXXFGLBGR-LLVKDONJSA-N -1 3 249.310 2.999 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000189857089 353681956 /nfs/dbraw/zinc/68/19/56/353681956.db2.gz IHDOMQUPWKISLX-MRVPVSSYSA-N -1 3 225.263 2.906 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@@H]2C2CC2)c([O-])c1 ZINC000334687656 354434231 /nfs/dbraw/zinc/43/42/31/354434231.db2.gz CSEGMFUERZIYAV-CYBMUJFWSA-N -1 3 245.322 2.579 20 0 BFADHM CCn1c(SC[C@H](C)CC(C)C)n[n-]c1=O ZINC000345362008 354632364 /nfs/dbraw/zinc/63/23/64/354632364.db2.gz BUJNWMLEVVUPMT-SECBINFHSA-N -1 3 243.376 2.778 20 0 BFADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC000335097240 354637512 /nfs/dbraw/zinc/63/75/12/354637512.db2.gz JIHZZMJVUGTVHL-ONGXEEELSA-N -1 3 243.665 2.732 20 0 BFADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC000335097231 354637713 /nfs/dbraw/zinc/63/77/13/354637713.db2.gz JIHZZMJVUGTVHL-GXSJLCMTSA-N -1 3 243.665 2.732 20 0 BFADHM C[C@@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@H]1F ZINC000335113377 354701150 /nfs/dbraw/zinc/70/11/50/354701150.db2.gz RHXXWUWVICODLM-MWLCHTKSSA-N -1 3 243.665 2.732 20 0 BFADHM Cc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345933361 354812558 /nfs/dbraw/zinc/81/25/58/354812558.db2.gz SLTJAOKPUCENAR-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC[C@H](C)[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345938249 354814452 /nfs/dbraw/zinc/81/44/52/354814452.db2.gz LYXAJDCTUDYOCK-WPRPVWTQSA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccc(NC(=O)c2ccc(C)nc2)c([O-])c1 ZINC000040429663 358491163 /nfs/dbraw/zinc/49/11/63/358491163.db2.gz OKWZPURORQWIEF-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)c2ccccc2)c1 ZINC000019837340 355181808 /nfs/dbraw/zinc/18/18/08/355181808.db2.gz ZAOYCMZWVZMZEW-UHFFFAOYSA-N -1 3 241.290 2.977 20 0 BFADHM CC(C)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000412976076 191346211 /nfs/dbraw/zinc/34/62/11/191346211.db2.gz HDLDUYXCWHSAFS-UHFFFAOYSA-N -1 3 238.356 2.949 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(CC)C(C)C ZINC000583504750 355336827 /nfs/dbraw/zinc/33/68/27/355336827.db2.gz DBASCUNAJCTTFN-UHFFFAOYSA-N -1 3 239.315 2.771 20 0 BFADHM Cc1sccc1CC(=O)Nc1ccccc1[O-] ZINC000335807337 355480356 /nfs/dbraw/zinc/48/03/56/355480356.db2.gz NUFCPZAIFCSYEI-UHFFFAOYSA-N -1 3 247.319 2.943 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CC(C)(C)C2CC2)n1 ZINC000351773396 356083964 /nfs/dbraw/zinc/08/39/64/356083964.db2.gz FCXAPUFIMBKZEI-UHFFFAOYSA-N -1 3 248.326 2.860 20 0 BFADHM CCN(Cc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000236980793 363462627 /nfs/dbraw/zinc/46/26/27/363462627.db2.gz TUMPVIISZHLDDS-SECBINFHSA-N -1 3 241.718 2.635 20 0 BFADHM Cc1csc(CNC(=O)c2ccccc2[O-])c1 ZINC000379262366 356436760 /nfs/dbraw/zinc/43/67/60/356436760.db2.gz IAYYHHASJRKTNT-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H]2CCC[C@H]2C)sc1C ZINC000450312381 202126532 /nfs/dbraw/zinc/12/65/32/202126532.db2.gz LNPPDXSNOYPSMV-GMSGAONNSA-N -1 3 238.356 2.677 20 0 BFADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccc([O-])cc1F ZINC000450511822 202189370 /nfs/dbraw/zinc/18/93/70/202189370.db2.gz BTMONHWGAGMDMD-ATZCPNFKSA-N -1 3 249.285 2.906 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC(C)CC1 ZINC000623387639 356918867 /nfs/dbraw/zinc/91/88/67/356918867.db2.gz MOOSZVZYMUXSQB-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM C/C=C(\C)c1nc(-c2ccc([O-])cc2)no1 ZINC000582337639 357078179 /nfs/dbraw/zinc/07/81/79/357078179.db2.gz BVDRTUFBQAWFER-FPYGCLRLSA-N -1 3 216.240 2.865 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1c(C)cccc1[O-] ZINC000626504329 357140071 /nfs/dbraw/zinc/14/00/71/357140071.db2.gz HOOZGTQANYVUDQ-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000626529062 357259651 /nfs/dbraw/zinc/25/96/51/357259651.db2.gz ILTRTPWFCXOBBY-VXGBXAGGSA-N -1 3 245.322 2.715 20 0 BFADHM CC(C)C(C)(C)NC(=O)c1cc([O-])ccc1F ZINC000583243829 357692986 /nfs/dbraw/zinc/69/29/86/357692986.db2.gz UVXWGFNUUWHWLY-UHFFFAOYSA-N -1 3 239.290 2.696 20 0 BFADHM Cc1oc(CN(C)C2CCCC2)cc1C(=O)[O-] ZINC000035432252 357992177 /nfs/dbraw/zinc/99/21/77/357992177.db2.gz YKWNMBGFNPPKHK-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CC[C@@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000036170044 358012026 /nfs/dbraw/zinc/01/20/26/358012026.db2.gz RGIHLHTXZREHHB-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM CCC[C@@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000036791175 358052309 /nfs/dbraw/zinc/05/23/09/358052309.db2.gz IZWHSMPCPZVPHB-SECBINFHSA-N -1 3 225.288 2.598 20 0 BFADHM Cc1cc(CN2CCC(C)CC2)oc1C(=O)[O-] ZINC000036812736 358052488 /nfs/dbraw/zinc/05/24/88/358052488.db2.gz UYLPGDZDCZXVIC-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CC[C@@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812847 358052501 /nfs/dbraw/zinc/05/25/01/358052501.db2.gz WWIGCZDXWLHVJG-SECBINFHSA-N -1 3 225.288 2.517 20 0 BFADHM O=C([O-])c1coc(CN2CCC[C@H]3CCC[C@H]32)c1 ZINC000228024324 358368346 /nfs/dbraw/zinc/36/83/46/358368346.db2.gz BHHUVRQAEFLJIK-ZWNOBZJWSA-N -1 3 249.310 2.742 20 0 BFADHM C[C@H](N(C)Cc1occc1C(=O)[O-])C(C)(C)C ZINC000042771077 358358756 /nfs/dbraw/zinc/35/87/56/358358756.db2.gz BYAJVXHUTCZWAP-VIFPVBQESA-N -1 3 239.315 2.844 20 0 BFADHM Cc1oc(CN2C[C@@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC000229313730 358402102 /nfs/dbraw/zinc/40/21/02/358402102.db2.gz OGEYXNZDRSNMFO-DTWKUNHWSA-N -1 3 237.299 2.517 20 0 BFADHM C[C@H](C1CCC1)N(C)C(=O)c1ccccc1[O-] ZINC000325351669 358449522 /nfs/dbraw/zinc/44/95/22/358449522.db2.gz MXYWBNZGAYIYJO-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCCC1 ZINC000049179938 358674772 /nfs/dbraw/zinc/67/47/72/358674772.db2.gz LNMOWCIAAFAKOA-UHFFFAOYSA-N -1 3 245.322 2.507 20 0 BFADHM O=C([O-])c1cccc(CNCc2ccsc2)c1 ZINC000213493968 358707033 /nfs/dbraw/zinc/70/70/33/358707033.db2.gz QBHORCORERGRFM-UHFFFAOYSA-N -1 3 247.319 2.736 20 0 BFADHM CCC[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000132317081 358717956 /nfs/dbraw/zinc/71/79/56/358717956.db2.gz NCBNQGHXDDNLFT-SECBINFHSA-N -1 3 222.288 2.552 20 0 BFADHM CC(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000134967659 358812607 /nfs/dbraw/zinc/81/26/07/358812607.db2.gz LRLGEXYTYPRVSA-NSHDSACASA-N -1 3 233.311 2.510 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC12CCCC2 ZINC000626661735 359013096 /nfs/dbraw/zinc/01/30/96/359013096.db2.gz JMDDQADYZQTVEC-LBPRGKRZSA-N -1 3 245.322 2.763 20 0 BFADHM C[C@H]1C[C@H](NC(=O)c2cccc([O-])c2)C[C@@H](C)C1 ZINC000246948192 359175388 /nfs/dbraw/zinc/17/53/88/359175388.db2.gz OTJBBVINNYOKTK-PJXYFTJBSA-N -1 3 247.338 2.947 20 0 BFADHM CSc1cc(O)ccc1[N-]C(=O)c1ccco1 ZINC000191191712 359536176 /nfs/dbraw/zinc/53/61/76/359536176.db2.gz YMUPMOFOLPDSKU-UHFFFAOYSA-N -1 3 249.291 2.959 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C3CCC2CC3)c1 ZINC000623470356 359776086 /nfs/dbraw/zinc/77/60/86/359776086.db2.gz DGVHFSUCBFRCLG-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM CCCCC[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450957525 202319475 /nfs/dbraw/zinc/31/94/75/202319475.db2.gz KWUWOQRUTPFPLV-UHFFFAOYSA-N -1 3 247.385 2.525 20 0 BFADHM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000628514542 359886188 /nfs/dbraw/zinc/88/61/88/359886188.db2.gz SRSOKWGIHOVSKA-TXEJJXNPSA-N -1 3 245.322 2.608 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613110254 360364760 /nfs/dbraw/zinc/36/47/60/360364760.db2.gz LSCPGNAINBPVSN-BRPSZJMVSA-N -1 3 235.258 2.516 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@H](C)C2CC2)c1 ZINC000623481381 360445958 /nfs/dbraw/zinc/44/59/58/360445958.db2.gz WPMIAEVITFTQIE-JTQLQIEISA-N -1 3 247.338 2.731 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@H]1CCCC[C@@H]1C ZINC000629099784 360877678 /nfs/dbraw/zinc/87/76/78/360877678.db2.gz HZOKBLHRTMPHMG-IUCAKERBSA-N -1 3 241.360 2.674 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@H]1C[C@@H]1C ZINC000629099693 360877704 /nfs/dbraw/zinc/87/77/04/360877704.db2.gz GDGDPFMTXCGJDS-DTWKUNHWSA-N -1 3 241.360 2.532 20 0 BFADHM CC(C)=CCCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000629365737 361019995 /nfs/dbraw/zinc/01/99/95/361019995.db2.gz BVGLDKPHXAEMHL-CYBMUJFWSA-N -1 3 249.310 2.620 20 0 BFADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@H]2CCC[C@H]21 ZINC000629373590 361023405 /nfs/dbraw/zinc/02/34/05/361023405.db2.gz KAGLHVVLWYAVGJ-MJBXVCDLSA-N -1 3 249.354 2.672 20 0 BFADHM O=C([O-])c1ccc(CN2CCCC3(CC3)CC2)o1 ZINC000629376901 361025462 /nfs/dbraw/zinc/02/54/62/361025462.db2.gz COJYEYURCXWAPB-UHFFFAOYSA-N -1 3 249.310 2.744 20 0 BFADHM CC(C)C[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380627 361190388 /nfs/dbraw/zinc/19/03/88/361190388.db2.gz VISULZLZLPCUPC-SECBINFHSA-N -1 3 246.314 2.579 20 0 BFADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640379059 361191460 /nfs/dbraw/zinc/19/14/60/361191460.db2.gz CAGKIROLOKMTLU-RKDXNWHRSA-N -1 3 246.314 2.579 20 0 BFADHM CCc1oc(C(=O)[N-]c2conc2C)cc1C ZINC000640484134 361274724 /nfs/dbraw/zinc/27/47/24/361274724.db2.gz TVDUZBUYUZIXMX-UHFFFAOYSA-N -1 3 234.255 2.699 20 0 BFADHM Cc1cccc(C(=O)NC2(C(C)C)CC2)c1[O-] ZINC000379708763 361339499 /nfs/dbraw/zinc/33/94/99/361339499.db2.gz WBVHTUZUKRFARV-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC2(C)C)c1 ZINC000379741329 361389797 /nfs/dbraw/zinc/38/97/97/361389797.db2.gz KWTMPVQCMWIHTA-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)NC2(C)CCC2)c([O-])c1C ZINC000436602319 201331017 /nfs/dbraw/zinc/33/10/17/201331017.db2.gz DWUNKEMXLNRSST-UHFFFAOYSA-N -1 3 233.311 2.681 20 0 BFADHM CCCN(CC)C(=O)c1cc(CC)ccc1[O-] ZINC000436758691 201337241 /nfs/dbraw/zinc/33/72/41/201337241.db2.gz NFZBGXSEFMVCCR-UHFFFAOYSA-N -1 3 235.327 2.827 20 0 BFADHM CCc1ccc(C(=O)NC(CC)CC)c([O-])c1 ZINC000436800873 201337250 /nfs/dbraw/zinc/33/72/50/201337250.db2.gz YLAFCAMQCXSNEQ-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CCc1ccc(C(=O)N(C)[C@@H]2CC2(C)C)c([O-])c1 ZINC000436816344 201339040 /nfs/dbraw/zinc/33/90/40/201339040.db2.gz RRRCKHFRYBUXGX-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC000436831381 201339259 /nfs/dbraw/zinc/33/92/59/201339259.db2.gz FWNGNHQWSIILTC-GHMZBOCLSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1C ZINC000436992279 201342364 /nfs/dbraw/zinc/34/23/64/201342364.db2.gz WCWCTVZRHNAGOP-UHFFFAOYSA-N -1 3 247.338 2.929 20 0 BFADHM CC[C@@H]1C[C@H]1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000438102656 201391371 /nfs/dbraw/zinc/39/13/71/201391371.db2.gz JFBJISMNBUSWSQ-ZYHUDNBSSA-N -1 3 233.311 2.537 20 0 BFADHM C[C@@H]1CC[C@H]1NCc1cccc([O-])c1Cl ZINC000328236623 363862993 /nfs/dbraw/zinc/86/29/93/363862993.db2.gz PYWSGWPPMJMYTJ-PSASIEDQSA-N -1 3 225.719 2.934 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(CC3CC3)C2)c1 ZINC000622252914 370804654 /nfs/dbraw/zinc/80/46/54/370804654.db2.gz KJHAEFSFLHLAEJ-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM CCc1ccc(NC(=O)[N-]c2cnns2)cc1 ZINC000192356914 365330899 /nfs/dbraw/zinc/33/08/99/365330899.db2.gz DPFSKSGXPFADLD-UHFFFAOYSA-N -1 3 248.311 2.745 20 0 BFADHM CN(Cc1cccc(F)c1)Cc1ncccc1[O-] ZINC000576096739 365481280 /nfs/dbraw/zinc/48/12/80/365481280.db2.gz RNAPCNVKZZMRNM-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM Cc1cccc([O-])c1NC(=O)Cc1ccccc1 ZINC000183055775 366970824 /nfs/dbraw/zinc/97/08/24/366970824.db2.gz WQNBFRIEDWRVOO-UHFFFAOYSA-N -1 3 241.290 2.882 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC(C)(C)C(C)C)c1 ZINC000579861972 367058165 /nfs/dbraw/zinc/05/81/65/367058165.db2.gz AUVFRBCDQQQBHD-UHFFFAOYSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1ccnc(NCc2cc([O-])cc(F)c2)c1 ZINC000185477392 367132586 /nfs/dbraw/zinc/13/25/86/367132586.db2.gz OBRJZLWNLQJOCR-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000380383945 367195124 /nfs/dbraw/zinc/19/51/24/367195124.db2.gz UNMPJVPKVQMOBY-BBBLOLIVSA-N -1 3 249.310 2.627 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1O ZINC000193812603 367212884 /nfs/dbraw/zinc/21/28/84/367212884.db2.gz HOUSRXJRQYUFIJ-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CCN(C(=O)c1cccc([O-])c1)[C@@H](C)C(C)C ZINC000581200906 367292980 /nfs/dbraw/zinc/29/29/80/367292980.db2.gz SWQKVRPLIYJRII-NSHDSACASA-N -1 3 235.327 2.899 20 0 BFADHM CCc1cccc(C(=O)NC2(CC)CC2)c1[O-] ZINC000581352084 367375010 /nfs/dbraw/zinc/37/50/10/367375010.db2.gz GSROTGRDRWQFLE-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CC23CCCC3)c1[O-] ZINC000387346392 368157247 /nfs/dbraw/zinc/15/72/47/368157247.db2.gz USHLZUHECFBZNV-GFCCVEGCSA-N -1 3 245.322 2.763 20 0 BFADHM COc1cccc(-c2nc(C(C)C)no2)c1[O-] ZINC000109037166 368611883 /nfs/dbraw/zinc/61/18/83/368611883.db2.gz JFZZRMZVTOGYHZ-UHFFFAOYSA-N -1 3 234.255 2.574 20 0 BFADHM O=C([O-])c1coc(CN2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087777858 368898291 /nfs/dbraw/zinc/89/82/91/368898291.db2.gz BHHUVRQAEFLJIK-MFKMUULPSA-N -1 3 249.310 2.742 20 0 BFADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[O-] ZINC000618510286 369163271 /nfs/dbraw/zinc/16/32/71/369163271.db2.gz NZJLKQOATZSAMG-MDZLAQPJSA-N -1 3 245.322 2.558 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000458261080 203149671 /nfs/dbraw/zinc/14/96/71/203149671.db2.gz QMCWVVZQNCWQCD-KGYLQXTDSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1ccc(C(=O)NCC2CC(C)(C)C2)c([O-])c1 ZINC000622542955 370989667 /nfs/dbraw/zinc/98/96/67/370989667.db2.gz VBBWJZQNYWFIIZ-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CC(C)CC1(NC(=O)c2ccccc2[O-])CC1 ZINC000620282021 369798035 /nfs/dbraw/zinc/79/80/35/369798035.db2.gz VMZQTMHNCOQDJT-UHFFFAOYSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)C1CC(C)(C)C1 ZINC000627722400 371891098 /nfs/dbraw/zinc/89/10/98/371891098.db2.gz QILNBHVDQODUEH-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)C[C@@H]1C ZINC000627757874 371947211 /nfs/dbraw/zinc/94/72/11/371947211.db2.gz RPSRQTHBRLJNPN-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM CC(C)(F)CNCc1cccc([O-])c1Cl ZINC000631188383 372223303 /nfs/dbraw/zinc/22/33/03/372223303.db2.gz DWUQQSYUFXEFSM-UHFFFAOYSA-N -1 3 231.698 2.883 20 0 BFADHM O=C(C[C@H]1C=CCC1)NCc1ccc([O-])c(F)c1 ZINC000132786751 182025151 /nfs/dbraw/zinc/02/51/51/182025151.db2.gz KMFJTROGGGTIRY-JTQLQIEISA-N -1 3 249.285 2.504 20 0 BFADHM O=C(NCC12CCC(CC1)C2)c1cccc([O-])c1 ZINC000371669002 182133461 /nfs/dbraw/zinc/13/34/61/182133461.db2.gz BTDBXWXZXXZUSF-UHFFFAOYSA-N -1 3 245.322 2.702 20 0 BFADHM O=C([N-]CCC1=CCCCC1)C(F)(F)F ZINC000005382460 182152137 /nfs/dbraw/zinc/15/21/37/182152137.db2.gz DVHVGNPDUCIWTJ-UHFFFAOYSA-N -1 3 221.222 2.555 20 0 BFADHM CCc1nc(C(=O)[N-]c2cc(C(C)C)no2)co1 ZINC000633905068 373832528 /nfs/dbraw/zinc/83/25/28/373832528.db2.gz JVACWKTVJQGHLB-UHFFFAOYSA-N -1 3 249.270 2.601 20 0 BFADHM C[C@@H](CC1CCC1)NC(=O)c1cccc([O-])c1 ZINC000634365138 374207998 /nfs/dbraw/zinc/20/79/98/374207998.db2.gz JALDJQJSPJPFEQ-JTQLQIEISA-N -1 3 233.311 2.701 20 0 BFADHM Cc1c2occ([O-])c2ccc1OC1CCCC1 ZINC000634560219 374318357 /nfs/dbraw/zinc/31/83/57/374318357.db2.gz AFOJDXJLRVLSSM-UHFFFAOYSA-N -1 3 232.279 2.892 20 0 BFADHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CC1 ZINC000125290360 182360217 /nfs/dbraw/zinc/36/02/17/182360217.db2.gz OUWZHXBZGZMNNZ-UHFFFAOYSA-N -1 3 245.200 2.760 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cc(Cl)ccn1 ZINC000028689787 182380542 /nfs/dbraw/zinc/38/05/42/182380542.db2.gz LBICQKOSPBWSTD-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C(Nc1ccccc1[O-])C1[C@@H]2CCCC[C@H]12 ZINC000176987384 182380995 /nfs/dbraw/zinc/38/09/95/182380995.db2.gz FLJYUEQIHZCAOC-HWYHXSKPSA-N -1 3 231.295 2.767 20 0 BFADHM CCCN(C)c1c(C(=O)[O-])cnc2ccccc21 ZINC000041719250 169087639 /nfs/dbraw/zinc/08/76/39/169087639.db2.gz PZUARQLWTCPTNT-UHFFFAOYSA-N -1 3 244.294 2.779 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC=C(F)C2)c1F ZINC000284294997 183273803 /nfs/dbraw/zinc/27/38/03/183273803.db2.gz UPLXNNIZARRGDD-UHFFFAOYSA-N -1 3 243.228 2.730 20 0 BFADHM [O-]c1ccc(F)c(CN[C@H]2CC=CCC2)c1F ZINC000293577865 183274061 /nfs/dbraw/zinc/27/40/61/183274061.db2.gz JNVJIXGNFYSQCD-VIFPVBQESA-N -1 3 239.265 2.869 20 0 BFADHM CCCN(CCC(=O)[O-])Cc1ccccc1F ZINC000071736663 169139551 /nfs/dbraw/zinc/13/95/51/169139551.db2.gz HTSGPVLHGYAHRY-UHFFFAOYSA-N -1 3 239.290 2.512 20 0 BFADHM [O-]c1cccc(/C=C/c2nc(CC3CC3)no2)c1 ZINC000275529697 183287902 /nfs/dbraw/zinc/28/79/02/183287902.db2.gz QERRWDKSTDZUSY-VOTSOKGWSA-N -1 3 242.278 2.898 20 0 BFADHM [O-]c1cccc(CNC2CCC2)c1Cl ZINC000293626247 183289428 /nfs/dbraw/zinc/28/94/28/183289428.db2.gz QSDANTGCEHIBAN-UHFFFAOYSA-N -1 3 211.692 2.688 20 0 BFADHM [O-]c1cccc(CN[C@H]2C[C@H]2C(F)F)c1Cl ZINC000339399777 183291366 /nfs/dbraw/zinc/29/13/66/183291366.db2.gz KOESMUQSSQVDPC-SFYZADRCSA-N -1 3 247.672 2.789 20 0 BFADHM [O-]c1cncc(-c2c(F)cccc2F)c1 ZINC000065339089 183305059 /nfs/dbraw/zinc/30/50/59/183305059.db2.gz ONPKMTIYOJFJNM-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCC[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174903101 169353529 /nfs/dbraw/zinc/35/35/29/169353529.db2.gz ICROCIKXTPEDFP-MRVPVSSYSA-N -1 3 225.263 2.906 20 0 BFADHM O=C([N-]c1nncs1)c1ccc(Cl)s1 ZINC000002709764 383880763 /nfs/dbraw/zinc/88/07/63/383880763.db2.gz LEXPGPGWZBSMKY-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000088302039 383892843 /nfs/dbraw/zinc/89/28/43/383892843.db2.gz JNTAWAJXFKUSTB-MNOVXSKESA-N -1 3 235.327 2.947 20 0 BFADHM CN(CCc1cccs1)Cc1ncccc1[O-] ZINC000558400279 383983495 /nfs/dbraw/zinc/98/34/95/383983495.db2.gz JFIXCKYBLWGRSC-UHFFFAOYSA-N -1 3 248.351 2.523 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC(C)(C)C2)c1 ZINC000070261416 384095419 /nfs/dbraw/zinc/09/54/19/384095419.db2.gz TWRMHTVNARUSFX-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H](C)CN(CC)C(=O)c1ccccc1[O-] ZINC000093255341 384223821 /nfs/dbraw/zinc/22/38/21/384223821.db2.gz QTPGHFRIQXHYDN-LLVKDONJSA-N -1 3 235.327 2.900 20 0 BFADHM CCN(Cc1occc1C)Cc1ncccc1[O-] ZINC000569571794 384270367 /nfs/dbraw/zinc/27/03/67/384270367.db2.gz NULVTLKYFRZSIY-UHFFFAOYSA-N -1 3 246.310 2.711 20 0 BFADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000136204488 384484394 /nfs/dbraw/zinc/48/43/94/384484394.db2.gz BKTQHKDIBDHUBZ-JQWIXIFHSA-N -1 3 233.311 2.795 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000334419131 384495783 /nfs/dbraw/zinc/49/57/83/384495783.db2.gz ZBCLDRKREGVHQK-ZYHUDNBSSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000334419127 384495944 /nfs/dbraw/zinc/49/59/44/384495944.db2.gz ZBCLDRKREGVHQK-PWSUYJOCSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(C)n1 ZINC000150923581 384525824 /nfs/dbraw/zinc/52/58/24/384525824.db2.gz BBXXWMWPXOLHNZ-UHFFFAOYSA-N -1 3 247.273 2.550 20 0 BFADHM CCCCN(CC(=O)[O-])Cc1ccccc1F ZINC000236725298 384565020 /nfs/dbraw/zinc/56/50/20/384565020.db2.gz ACSVKBIKFHHSMB-UHFFFAOYSA-N -1 3 239.290 2.512 20 0 BFADHM C[C@@H]1C[C@H]1CNCc1cccc([O-])c1Cl ZINC000294106494 384688665 /nfs/dbraw/zinc/68/86/65/384688665.db2.gz MSJWURNBFUHZQB-SCZZXKLOSA-N -1 3 225.719 2.791 20 0 BFADHM CCC[C@@H](CC)NC(=O)c1ccccc1[O-] ZINC000050164563 384693258 /nfs/dbraw/zinc/69/32/58/384693258.db2.gz YUIDPZKKKWDLNF-SNVBAGLBSA-N -1 3 221.300 2.701 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000050566646 384704399 /nfs/dbraw/zinc/70/43/99/384704399.db2.gz GQRCWMABEIZHRW-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)NC2(C3(C)CC3)CC2)c([O-])c1 ZINC000398271315 384879416 /nfs/dbraw/zinc/87/94/16/384879416.db2.gz FVLNPOXPXIYGNL-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000174906439 384850385 /nfs/dbraw/zinc/85/03/85/384850385.db2.gz IYKWWTCRIKVSOY-ZETCQYMHSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000177044188 384851648 /nfs/dbraw/zinc/85/16/48/384851648.db2.gz SAKYQFMIKKFZCN-QWRGUYRKSA-N -1 3 233.311 2.571 20 0 BFADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1 ZINC000403315900 385173680 /nfs/dbraw/zinc/17/36/80/385173680.db2.gz BWCCZQIWAJFSSC-WZRBSPASSA-N -1 3 245.322 2.558 20 0 BFADHM CC[C@H](SC)C(=O)Nc1ccc(C)cc1[O-] ZINC000153312834 385247760 /nfs/dbraw/zinc/24/77/60/385247760.db2.gz HGIRGZCUGYZQLE-NSHDSACASA-N -1 3 239.340 2.781 20 0 BFADHM O=C(/C=C\C1CCC1)Nc1cccc([O-])c1F ZINC000492302354 385356803 /nfs/dbraw/zinc/35/68/03/385356803.db2.gz YLCZKMFUZMTNGK-FPLPWBNLSA-N -1 3 235.258 2.826 20 0 BFADHM C[C@@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000182203206 385433155 /nfs/dbraw/zinc/43/31/55/385433155.db2.gz QFGHEVBVFQBYPP-VXGBXAGGSA-N -1 3 247.338 2.948 20 0 BFADHM CC/C=C(\C)C(=O)Nc1c(C)cccc1[O-] ZINC000179555582 385473500 /nfs/dbraw/zinc/47/35/00/385473500.db2.gz NKJDYYZWSINASG-UXBLZVDNSA-N -1 3 219.284 2.995 20 0 BFADHM CCC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000336620255 385511574 /nfs/dbraw/zinc/51/15/74/385511574.db2.gz PGLDHVDHVCVRQM-UHFFFAOYSA-N -1 3 219.284 2.911 20 0 BFADHM CC(C)c1noc([N-][C@H](C)c2ccccn2)n1 ZINC000171808175 385518838 /nfs/dbraw/zinc/51/88/38/385518838.db2.gz YOHAZYNGYDTAEL-SECBINFHSA-N -1 3 232.287 2.761 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2CCCCC2)n1 ZINC000408188565 385651069 /nfs/dbraw/zinc/65/10/69/385651069.db2.gz HCXMFHULPWZIJT-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM CCc1ccc([O-])c(NC(=O)C(=O)C(C)(C)C)c1 ZINC000270386106 385703709 /nfs/dbraw/zinc/70/37/09/385703709.db2.gz PTZLUQBYUPPJSW-UHFFFAOYSA-N -1 3 249.310 2.508 20 0 BFADHM CCO[N-]C(=O)Nc1c(C)cccc1CC ZINC000182866406 385712788 /nfs/dbraw/zinc/71/27/88/385712788.db2.gz IHFUDVQVUQIBJW-UHFFFAOYSA-N -1 3 222.288 2.630 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000182871605 385715876 /nfs/dbraw/zinc/71/58/76/385715876.db2.gz OSWSPRMYJRGKHC-UHFFFAOYSA-N -1 3 222.288 2.883 20 0 BFADHM Cc1ccc(NC(=O)C(C)(Cl)Cl)c([O-])c1 ZINC000183442751 385761463 /nfs/dbraw/zinc/76/14/63/385761463.db2.gz MFFQQRNKTRZXLN-UHFFFAOYSA-N -1 3 248.109 2.833 20 0 BFADHM CC[C@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC000293962584 385775537 /nfs/dbraw/zinc/77/55/37/385775537.db2.gz PZYQDWQDSCIHCK-QMMMGPOBSA-N -1 3 227.254 2.655 20 0 BFADHM O=C(C=C1CCC1)N1CCCc2cccc([O-])c21 ZINC000182926198 385722498 /nfs/dbraw/zinc/72/24/98/385722498.db2.gz ILQWWLNVYOIURQ-UHFFFAOYSA-N -1 3 243.306 2.782 20 0 BFADHM CC(C)(C)CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647803457 385837757 /nfs/dbraw/zinc/83/77/57/385837757.db2.gz NIHKRXINWLSYCY-UHFFFAOYSA-N -1 3 247.298 2.643 20 0 BFADHM Cc1ccc(NC([O-])=NOC2CCCC2)c(C)n1 ZINC000271770029 385849462 /nfs/dbraw/zinc/84/94/62/385849462.db2.gz CTJXZLUSXOBUQM-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC2CCCC2)c(C)n1 ZINC000271770029 385849464 /nfs/dbraw/zinc/84/94/64/385849464.db2.gz CTJXZLUSXOBUQM-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000294046236 385792440 /nfs/dbraw/zinc/79/24/40/385792440.db2.gz KJQYNWAHZFCBQP-MNOVXSKESA-N -1 3 247.338 2.996 20 0 BFADHM CC1(C(=O)[N-]OCc2ccc(F)cc2)CCC1 ZINC000273261171 385982027 /nfs/dbraw/zinc/98/20/27/385982027.db2.gz FSMUMCWWKGTNES-UHFFFAOYSA-N -1 3 237.274 2.564 20 0 BFADHM CC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000128528789 385993131 /nfs/dbraw/zinc/99/31/31/385993131.db2.gz XSVJESOIADBIBJ-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM Cc1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000273466815 386005105 /nfs/dbraw/zinc/00/51/05/386005105.db2.gz PHGUCJCYPVVBGS-UHFFFAOYSA-N -1 3 230.267 2.629 20 0 BFADHM COCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000273392795 385995987 /nfs/dbraw/zinc/99/59/87/385995987.db2.gz ITGXWRRILFTFFA-UHFFFAOYSA-N -1 3 248.282 2.712 20 0 BFADHM CCc1ccc(/C=C/C(=O)[N-]OC2CCCC2)o1 ZINC000274065291 386067363 /nfs/dbraw/zinc/06/73/63/386067363.db2.gz PLXISROSZRCLNT-MDZDMXLPSA-N -1 3 249.310 2.846 20 0 BFADHM C[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000345285923 386088122 /nfs/dbraw/zinc/08/81/22/386088122.db2.gz MOYIPGQLGDVVSL-IUCAKERBSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000345285922 386088541 /nfs/dbraw/zinc/08/85/41/386088541.db2.gz MOYIPGQLGDVVSL-DTWKUNHWSA-N -1 3 237.274 2.906 20 0 BFADHM CCCc1csc(NC([O-])=NOC(C)C)n1 ZINC000297005622 386217043 /nfs/dbraw/zinc/21/70/43/386217043.db2.gz UHVJLBUKVNBYRE-UHFFFAOYSA-N -1 3 243.332 2.557 20 0 BFADHM CCCc1csc(NC(=O)[N-]OC(C)C)n1 ZINC000297005622 386217046 /nfs/dbraw/zinc/21/70/46/386217046.db2.gz UHVJLBUKVNBYRE-UHFFFAOYSA-N -1 3 243.332 2.557 20 0 BFADHM Cc1ccc(NC(=O)C2(CCF)CC2)c([O-])c1 ZINC000289307981 386282570 /nfs/dbraw/zinc/28/25/70/386282570.db2.gz CKEKQFBWZMEUHV-UHFFFAOYSA-N -1 3 237.274 2.779 20 0 BFADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCCC2 ZINC000297493303 386262025 /nfs/dbraw/zinc/26/20/25/386262025.db2.gz UCDSLVVALZPMBE-UHFFFAOYSA-N -1 3 234.299 2.638 20 0 BFADHM CCC(C)(C)CC(=O)Nc1ncccc1[O-] ZINC000080752559 386262559 /nfs/dbraw/zinc/26/25/59/386262559.db2.gz GNTHLSKGHLLWCW-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H](C)CC2)ccc1[O-] ZINC000226717380 386368812 /nfs/dbraw/zinc/36/88/12/386368812.db2.gz PJWZOOSCXHEHAE-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000227034482 386452065 /nfs/dbraw/zinc/45/20/65/386452065.db2.gz FGEJYHZSBZUZPD-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM CCC(CC)(NCc1ccc(Cl)o1)C(=O)[O-] ZINC000417594669 386425571 /nfs/dbraw/zinc/42/55/71/386425571.db2.gz WSQFUJWNIKYNMD-UHFFFAOYSA-N -1 3 245.706 2.666 20 0 BFADHM CCc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)c([O-])c1 ZINC000188330088 386427647 /nfs/dbraw/zinc/42/76/47/386427647.db2.gz BWPYZPVYVABJMT-PHIMTYICSA-N -1 3 247.338 2.968 20 0 BFADHM CCN(CC(C)C)C(=O)c1ccc([O-])c(C)c1 ZINC000226954553 386435335 /nfs/dbraw/zinc/43/53/35/386435335.db2.gz ODXVLQMHMGSWSR-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)ccc1[O-] ZINC000227052175 386455087 /nfs/dbraw/zinc/45/50/87/386455087.db2.gz CFVXGLWPMHGDRL-ZYHUDNBSSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1 ZINC000291723002 386574423 /nfs/dbraw/zinc/57/44/23/386574423.db2.gz HMURVYXGFLQWMK-SNVBAGLBSA-N -1 3 222.288 2.786 20 0 BFADHM CC[C@@H](CC(=O)[N-]OC/C=C/Cl)C(C)C ZINC000291888125 386595269 /nfs/dbraw/zinc/59/52/69/386595269.db2.gz QZXNWYAHHQHBRQ-PORFMDCZSA-N -1 3 233.739 2.859 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(C)ccc1[O-] ZINC000187397484 386550893 /nfs/dbraw/zinc/55/08/93/386550893.db2.gz FYKONAZJNUJVFE-AAEUAGOBSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1cc(C(=O)N2CC=C(C)CC2)ccc1[O-] ZINC000292177851 386631250 /nfs/dbraw/zinc/63/12/50/386631250.db2.gz OCODKTUJDIRCGW-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM CCC[C@H](C(=O)Nc1ncccc1[O-])C(C)C ZINC000122146905 386738166 /nfs/dbraw/zinc/73/81/66/386738166.db2.gz MNSJWNZAEFKXAE-JTQLQIEISA-N -1 3 236.315 2.798 20 0 BFADHM CC[C@](C)([N-]C(=O)C(C)(F)F)c1nccs1 ZINC000293224665 386789565 /nfs/dbraw/zinc/78/95/65/386789565.db2.gz SADBXMPMEZOSCV-VIFPVBQESA-N -1 3 248.298 2.540 20 0 BFADHM CC(F)(F)C(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000293303002 386800194 /nfs/dbraw/zinc/80/01/94/386800194.db2.gz YTNSIDFPQGAKOZ-UHFFFAOYSA-N -1 3 243.228 2.586 20 0 BFADHM CS[C@@H](C)CNCc1cccc([O-])c1Cl ZINC000293413056 386843015 /nfs/dbraw/zinc/84/30/15/386843015.db2.gz ZBYVIQVPZPVSPQ-QMMMGPOBSA-N -1 3 245.775 2.887 20 0 BFADHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000293836652 386885965 /nfs/dbraw/zinc/88/59/65/386885965.db2.gz QGGVXBQAQOFFAE-ZWNOBZJWSA-N -1 3 249.310 2.536 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])C(C)(F)F ZINC000293887102 386895531 /nfs/dbraw/zinc/89/55/31/386895531.db2.gz UUQJJDGJCGVFIS-SSDOTTSWSA-N -1 3 229.226 2.622 20 0 BFADHM CCCn1c(=O)[n-]nc1SCC1(C)CCC1 ZINC000331762813 386896156 /nfs/dbraw/zinc/89/61/56/386896156.db2.gz JMQUIBQAJWTVPF-UHFFFAOYSA-N -1 3 241.360 2.676 20 0 BFADHM CCc1ccc(C(=O)N=c2[n-]oc(C)c2C)cc1 ZINC000334856688 386909143 /nfs/dbraw/zinc/90/91/43/386909143.db2.gz SRWCEJPLXOCRLS-UHFFFAOYSA-N -1 3 244.294 2.528 20 0 BFADHM CCc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000335767808 386911190 /nfs/dbraw/zinc/91/11/90/386911190.db2.gz VWFJVGYIBXJMKL-NXEZZACHSA-N -1 3 233.311 2.578 20 0 BFADHM CC1(c2noc(/C=C/c3cccc([O-])c3)n2)CC1 ZINC000334896461 386968691 /nfs/dbraw/zinc/96/86/91/386968691.db2.gz QQMYHEWIGMPUJB-AATRIKPKSA-N -1 3 242.278 2.997 20 0 BFADHM Cc1ccncc1C(=O)Nc1c(C)cccc1[O-] ZINC000334928664 387003018 /nfs/dbraw/zinc/00/30/18/387003018.db2.gz IDHCGTPTBUPBKZ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(C[N-]c2nc(C(C)C)no2)o1 ZINC000057354007 387133236 /nfs/dbraw/zinc/13/32/36/387133236.db2.gz CBBGQDIKHZQAFR-UHFFFAOYSA-N -1 3 221.260 2.707 20 0 BFADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])ccn1 ZINC000336428778 387257427 /nfs/dbraw/zinc/25/74/27/387257427.db2.gz UHAKBAXONIPSDK-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCN(CC1CCC1)C(=O)c1cccc([O-])c1 ZINC000230319105 387261746 /nfs/dbraw/zinc/26/17/46/387261746.db2.gz DNVUJCPKWAFTAL-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM CCCC[C@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000162058116 387309386 /nfs/dbraw/zinc/30/93/86/387309386.db2.gz SUBHXZKCUAQBHZ-LLVKDONJSA-N -1 3 241.356 2.823 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@]2(C)C(C)C)n1 ZINC000361611047 387511039 /nfs/dbraw/zinc/51/10/39/387511039.db2.gz OXRDXAPBUFOKKF-QMTHXVAHSA-N -1 3 248.326 2.716 20 0 BFADHM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000397156490 387548348 /nfs/dbraw/zinc/54/83/48/387548348.db2.gz OPCAHBXMHPLBHX-OCCSQVGLSA-N -1 3 233.311 2.557 20 0 BFADHM C[C@H]1[C@@H](C)N(C(=O)c2ccccc2[O-])C[C@H]1C ZINC000399525604 387552626 /nfs/dbraw/zinc/55/26/26/387552626.db2.gz FAEIKNSVIZRQSR-GMTAPVOTSA-N -1 3 233.311 2.509 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2(C3CC3)CC2)c1 ZINC000120632024 387572296 /nfs/dbraw/zinc/57/22/96/387572296.db2.gz RBNDMFIQYUVYOL-UHFFFAOYSA-N -1 3 245.322 2.621 20 0 BFADHM C[C@H](F)CCNC(=O)c1cc([O-])ccc1Cl ZINC000356705460 387704792 /nfs/dbraw/zinc/70/47/92/387704792.db2.gz PFXKIJSMQWAZPV-ZETCQYMHSA-N -1 3 245.681 2.524 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2C=CCCC2)c1[O-] ZINC000157413133 387793930 /nfs/dbraw/zinc/79/39/30/387793930.db2.gz PKXAYNRCPIGMKO-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@@H](F)CC)n1 ZINC000442537074 387802858 /nfs/dbraw/zinc/80/28/58/387802858.db2.gz BBYNEUOAEVPMFC-QMMMGPOBSA-N -1 3 244.335 2.726 20 0 BFADHM COC(=O)c1cnc(SCCCC(C)C)[n-]1 ZINC000432669860 387807440 /nfs/dbraw/zinc/80/74/40/387807440.db2.gz MYUAKUKHQXZPOP-UHFFFAOYSA-N -1 3 242.344 2.725 20 0 BFADHM CC(=O)c1c(C)cc(Br)cc1[O-] ZINC000575624614 387822510 /nfs/dbraw/zinc/82/25/10/387822510.db2.gz MJQYNPXQYOSKAZ-UHFFFAOYSA-N -1 3 229.073 2.666 20 0 BFADHM FC(F)(F)c1csc(=NCC2CC=CC2)[n-]1 ZINC000528114509 387848759 /nfs/dbraw/zinc/84/87/59/387848759.db2.gz MYUZMKUEAWWOQL-UHFFFAOYSA-N -1 3 248.273 2.962 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC12CC2 ZINC000528116671 387849851 /nfs/dbraw/zinc/84/98/51/387849851.db2.gz SXAFKSJTTWFMEE-JTQLQIEISA-N -1 3 231.295 2.911 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245923469 387993859 /nfs/dbraw/zinc/99/38/59/387993859.db2.gz HTLPPQWRRJWCGJ-IWIIMEHWSA-N -1 3 249.285 2.906 20 0 BFADHM O=C([N-]c1c(F)cccc1F)c1cncs1 ZINC000082339062 388030707 /nfs/dbraw/zinc/03/07/07/388030707.db2.gz TUVFGUBWUBCOSD-UHFFFAOYSA-N -1 3 240.234 2.674 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@H](F)CC ZINC000440582369 388057464 /nfs/dbraw/zinc/05/74/64/388057464.db2.gz YIZLHCRKAYLQMS-MRVPVSSYSA-N -1 3 247.339 2.624 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)C[C@@H]1C ZINC000085060624 388082664 /nfs/dbraw/zinc/08/26/64/388082664.db2.gz WMOQVVBCSIROBR-MDZLAQPJSA-N -1 3 247.338 2.947 20 0 BFADHM O=C(CCc1ccco1)Nc1ccc([O-])cc1F ZINC000085203876 388084989 /nfs/dbraw/zinc/08/49/89/388084989.db2.gz ZSTDNHVYJVTPNI-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM O=C(c1ccccc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000170190445 388271634 /nfs/dbraw/zinc/27/16/34/388271634.db2.gz ITTCCZUZSMGXTB-TXEJJXNPSA-N -1 3 245.322 2.654 20 0 BFADHM C[C@@H]1CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000235247290 388366130 /nfs/dbraw/zinc/36/61/30/388366130.db2.gz APAHXCVCJGHTKG-SECBINFHSA-N -1 3 237.274 2.508 20 0 BFADHM CC[C@H](CNCc1cccc([O-])c1Cl)OC ZINC000292944726 388384550 /nfs/dbraw/zinc/38/45/50/388384550.db2.gz KDHBCNBTLAFIOC-SNVBAGLBSA-N -1 3 243.734 2.560 20 0 BFADHM CCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646569191 388385306 /nfs/dbraw/zinc/38/53/06/388385306.db2.gz ADGTYLWSTAAAGF-UHFFFAOYSA-N -1 3 247.216 2.551 20 0 BFADHM [O-]c1cccc(CNC2CC=CC2)c1Cl ZINC000328193153 388406292 /nfs/dbraw/zinc/40/62/92/388406292.db2.gz DJAVLBUFUVCABA-UHFFFAOYSA-N -1 3 223.703 2.854 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C(C)C)C2)n1 ZINC000572929141 388390031 /nfs/dbraw/zinc/39/00/31/388390031.db2.gz MAOLLIPDFYJYCL-NWDGAFQWSA-N -1 3 249.358 2.530 20 0 BFADHM C/C=C/C=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000492250733 388339298 /nfs/dbraw/zinc/33/92/98/388339298.db2.gz VCJUFQRMIUHIPP-IAROGAJJSA-N -1 3 221.231 2.602 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000335971453 388455216 /nfs/dbraw/zinc/45/52/16/388455216.db2.gz XUZMKQKEGMIPHU-AWEZNQCLSA-N -1 3 233.311 2.654 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccc(F)c(F)c1 ZINC000075285506 388463086 /nfs/dbraw/zinc/46/30/86/388463086.db2.gz AANSUZADFOBMJJ-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM CC(F)(F)CCCNC(=O)c1cccc([O-])c1 ZINC000295706874 388413022 /nfs/dbraw/zinc/41/30/22/388413022.db2.gz JLTPCZOQUDKIJA-UHFFFAOYSA-N -1 3 243.253 2.557 20 0 BFADHM C[C@@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175024354 388430611 /nfs/dbraw/zinc/43/06/11/388430611.db2.gz WTJFKWOVYUXNFA-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM C/C(=C\c1ccc([O-])cc1)c1cnccn1 ZINC000547811738 388486209 /nfs/dbraw/zinc/48/62/09/388486209.db2.gz BEGPVWGROZKBJX-CSKARUKUSA-N -1 3 212.252 2.743 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC(C2CC2)CC1 ZINC000646773706 388495636 /nfs/dbraw/zinc/49/56/36/388495636.db2.gz DXZLRXZKZJOVNK-UHFFFAOYSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1 ZINC000080110520 388552909 /nfs/dbraw/zinc/55/29/09/388552909.db2.gz JSQQTUIKNUXQMO-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1cc(CN(C)[C@H]2CC2(C)C)oc1C(=O)[O-] ZINC000521055801 388561048 /nfs/dbraw/zinc/56/10/48/388561048.db2.gz CZTJPNFXAHEXCJ-JTQLQIEISA-N -1 3 237.299 2.517 20 0 BFADHM Cc1cc(CN(C)[C@@H]2CC2(C)C)oc1C(=O)[O-] ZINC000521055802 388561363 /nfs/dbraw/zinc/56/13/63/388561363.db2.gz CZTJPNFXAHEXCJ-SNVBAGLBSA-N -1 3 237.299 2.517 20 0 BFADHM Cc1ccc(C(=O)NC[C@@H](C)C(C)C)c([O-])c1 ZINC000081066889 388566861 /nfs/dbraw/zinc/56/68/61/388566861.db2.gz NOJAEAQIVSBGPA-LLVKDONJSA-N -1 3 235.327 2.723 20 0 BFADHM CCN(CC(C)C)C(=O)c1ccc(C)cc1[O-] ZINC000037023451 388582716 /nfs/dbraw/zinc/58/27/16/388582716.db2.gz XGYKKZYVUNYNGC-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@H](C)[C@@H]1C1CC1 ZINC000528952019 388585980 /nfs/dbraw/zinc/58/59/80/388585980.db2.gz ZRKSJOSRJUPEGC-OASPWFOLSA-N -1 3 245.322 2.931 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C)[C@@H](C)C2)n1 ZINC000248778993 388692951 /nfs/dbraw/zinc/69/29/51/388692951.db2.gz USPIBKZPCLMBQK-NHCYSSNCSA-N -1 3 249.358 2.530 20 0 BFADHM O=c1cc(C=Cc2cncs2)nc(C2CC2)[n-]1 ZINC000554390337 388813918 /nfs/dbraw/zinc/81/39/18/388813918.db2.gz GBMRLFDFVQRZSX-ONEGZZNKSA-N -1 3 245.307 2.687 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2C)c1 ZINC000539841322 388783240 /nfs/dbraw/zinc/78/32/40/388783240.db2.gz NSUVKWBQJUKQRF-GHMZBOCLSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cccc(C(=O)N2CCC23CCC3)c1[O-] ZINC000539871223 388785632 /nfs/dbraw/zinc/78/56/32/388785632.db2.gz AIVKQBRZIHMZOA-UHFFFAOYSA-N -1 3 245.322 2.723 20 0 BFADHM C[C@@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000230428747 388827110 /nfs/dbraw/zinc/82/71/10/388827110.db2.gz LOYVICNTKMWZNU-GHMZBOCLSA-N -1 3 233.311 2.558 20 0 BFADHM CCc1coc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000555599833 388856835 /nfs/dbraw/zinc/85/68/35/388856835.db2.gz MYQVJONTDIGJEO-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM Cc1ccsc1CN(C)Cc1ncccc1[O-] ZINC000565859726 388973812 /nfs/dbraw/zinc/97/38/12/388973812.db2.gz HANYNIUQAWDUCO-UHFFFAOYSA-N -1 3 248.351 2.789 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)CC2(C)C)c([O-])c1 ZINC000271376919 389019228 /nfs/dbraw/zinc/01/92/28/389019228.db2.gz JLHGDHVOFNWGGD-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H](C(=O)N1CCCc2cccc([O-])c21)C1CC1 ZINC000163683982 132235941 /nfs/dbraw/zinc/23/59/41/132235941.db2.gz KDQBMKLQKWDDPD-SNVBAGLBSA-N -1 3 245.322 2.718 20 0 BFADHM O=C(C1CCCC1)N1CCCc2cccc([O-])c21 ZINC000063063754 132389824 /nfs/dbraw/zinc/38/98/24/132389824.db2.gz FDVSAKVJYYLPEU-UHFFFAOYSA-N -1 3 245.322 2.862 20 0 BFADHM Cc1ccnc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226714597 134370792 /nfs/dbraw/zinc/37/07/92/134370792.db2.gz GDGHMGNCSDBUAC-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC[C@@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000227025710 134373870 /nfs/dbraw/zinc/37/38/70/134373870.db2.gz PGLQYZOCHPSNLI-GFCCVEGCSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2C)ccc1[O-] ZINC000227033343 134373954 /nfs/dbraw/zinc/37/39/54/134373954.db2.gz GJCZLBDTQQTUQA-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc([O-])c(-c2nc(C3(C)CC3)no2)c1 ZINC000156476970 134720223 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/nfs/dbraw/zinc/56/11/82/487561182.db2.gz SOWQWELCTNFYIG-JTQLQIEISA-N -1 3 248.326 2.860 20 0 BFADHM CCc1cccc(C(=O)N2C3CCC2CC3)c1[O-] ZINC000530959064 322907154 /nfs/dbraw/zinc/90/71/54/322907154.db2.gz UKWJYXTYQZSVIK-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM CC1(C)C[C@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000334942250 487585942 /nfs/dbraw/zinc/58/59/42/487585942.db2.gz BNXYKNGWHMUWIT-VIFPVBQESA-N -1 3 230.267 2.555 20 0 BFADHM Cc1cc(CN2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC000036812754 487590862 /nfs/dbraw/zinc/59/08/62/487590862.db2.gz GCOPZRRINVAHMO-VIFPVBQESA-N -1 3 237.299 2.518 20 0 BFADHM CC(C)c1noc([N-][C@@H](C)c2cscn2)n1 ZINC000664261926 410542116 /nfs/dbraw/zinc/54/21/16/410542116.db2.gz UQJIMUGZVUTKQG-ZETCQYMHSA-N -1 3 238.316 2.823 20 0 BFADHM CC(C)O[N-]C(=O)CC/C=C/c1ccccc1 ZINC000295799877 167273057 /nfs/dbraw/zinc/27/30/57/167273057.db2.gz ZYSVOEBQKSXFBR-UXBLZVDNSA-N -1 3 233.311 2.936 20 0 BFADHM CC(C)O[N-]C(=O)/C=C/c1ccccc1Cl ZINC000293902418 167273851 /nfs/dbraw/zinc/27/38/51/167273851.db2.gz HJPZHPUYSAPSPT-BQYQJAHWSA-N -1 3 239.702 2.809 20 0 BFADHM CC(C)ON=C([O-])Nc1cc(F)cc(Cl)c1 ZINC000296878172 167275535 /nfs/dbraw/zinc/27/55/35/167275535.db2.gz ATBVKWUWYJMFTM-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cc(F)cc(Cl)c1 ZINC000296878172 167275538 /nfs/dbraw/zinc/27/55/38/167275538.db2.gz ATBVKWUWYJMFTM-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc2c(c1)CCC2 ZINC000296648399 167276273 /nfs/dbraw/zinc/27/62/73/167276273.db2.gz SNRQARSGEZKDCW-UHFFFAOYSA-N -1 3 234.299 2.637 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc2c(c1)CCC2 ZINC000296648399 167276274 /nfs/dbraw/zinc/27/62/74/167276274.db2.gz SNRQARSGEZKDCW-UHFFFAOYSA-N -1 3 234.299 2.637 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1[C@H](C)CC[C@H]1C ZINC000652440604 411243265 /nfs/dbraw/zinc/24/32/65/411243265.db2.gz KGJQAAGVTJFRIT-RKDXNWHRSA-N -1 3 237.299 2.659 20 0 BFADHM CCCCN(C)Cc1cc(C(=O)[O-])oc1CC ZINC000652367264 411219890 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/nfs/dbraw/zinc/28/44/51/168284451.db2.gz ICIRAVHPAPHSNL-UHFFFAOYSA-N -1 3 221.300 2.653 20 0 BFADHM [O-]c1cccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1Cl ZINC000657734039 411587630 /nfs/dbraw/zinc/58/76/30/411587630.db2.gz CEJBNFNKPZTSGP-DDFAGTSDSA-N -1 3 237.730 2.934 20 0 BFADHM CCN(Cc1cc(C)sc1C)[C@@H](C)C(=O)[O-] ZINC000662216554 412029158 /nfs/dbraw/zinc/02/91/58/412029158.db2.gz PONPACFIWFARMA-VIFPVBQESA-N -1 3 241.356 2.660 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000153156824 171007374 /nfs/dbraw/zinc/00/73/74/171007374.db2.gz UFWPELOZDAOWNN-GFCCVEGCSA-N -1 3 247.338 2.881 20 0 BFADHM CC[C@H](C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000190230099 171260622 /nfs/dbraw/zinc/26/06/22/171260622.db2.gz CWFDMLZXSIQPFZ-JTQLQIEISA-N -1 3 239.290 2.810 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1cccc([O-])c1 ZINC000037173919 171271413 /nfs/dbraw/zinc/27/14/13/171271413.db2.gz ANEBSHZMMPKHES-JTQLQIEISA-N -1 3 221.300 2.510 20 0 BFADHM CC[C@H](C)CON=C([O-])Nc1ncc(C)s1 ZINC000291948068 171290505 /nfs/dbraw/zinc/29/05/05/171290505.db2.gz VCNNPDPNFQFCQZ-ZETCQYMHSA-N -1 3 243.332 2.551 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Nc1ncc(C)s1 ZINC000291948068 171290507 /nfs/dbraw/zinc/29/05/07/171290507.db2.gz VCNNPDPNFQFCQZ-ZETCQYMHSA-N -1 3 243.332 2.551 20 0 BFADHM CN(C(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000193997719 172339714 /nfs/dbraw/zinc/33/97/14/172339714.db2.gz XNGAVWLYGRZUQM-UHFFFAOYSA-N -1 3 249.310 2.503 20 0 BFADHM COc1ccc(F)cc1-c1cncc([O-])c1 ZINC000065339223 175127538 /nfs/dbraw/zinc/12/75/38/175127538.db2.gz HFWUICBNCSSQOY-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM COc1ccc(-n2[n-]c(C)c(C(C)C)c2=O)cc1 ZINC000103850451 175140115 /nfs/dbraw/zinc/14/01/15/175140115.db2.gz KPUXRUDOJBQUFV-ZDUSSCGKSA-N -1 3 246.310 2.690 20 0 BFADHM COc1ccccc1/C(C)=C/C(=O)[N-]OC(C)C ZINC000295543462 175314073 /nfs/dbraw/zinc/31/40/73/175314073.db2.gz KZQRTDTWODPUOK-PKNBQFBNSA-N -1 3 249.310 2.555 20 0 BFADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000042327620 176076970 /nfs/dbraw/zinc/07/69/70/176076970.db2.gz YPEPKYHCRNKTPU-VXGBXAGGSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000104363353 176100342 /nfs/dbraw/zinc/10/03/42/176100342.db2.gz INDVKXUUDDROGD-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000051734492 176163558 /nfs/dbraw/zinc/16/35/58/176163558.db2.gz YLVLJFKDLQNWRJ-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000336299702 176227928 /nfs/dbraw/zinc/22/79/28/176227928.db2.gz JXJRHAVNLBHDEI-PWSUYJOCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000042327629 177086045 /nfs/dbraw/zinc/08/60/45/177086045.db2.gz YPEPKYHCRNKTPU-RYUDHWBXSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1F ZINC000062756446 177110596 /nfs/dbraw/zinc/11/05/96/177110596.db2.gz FZAZSIRQGXWQSY-VIFPVBQESA-N -1 3 237.274 2.508 20 0 BFADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000011801597 177117324 /nfs/dbraw/zinc/11/73/24/177117324.db2.gz HIVUXVUQRTXUJZ-AOOOYVTPSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000011801599 177132390 /nfs/dbraw/zinc/13/23/90/177132390.db2.gz HIVUXVUQRTXUJZ-UWVGGRQHSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000088707534 177184611 /nfs/dbraw/zinc/18/46/11/177184611.db2.gz APFVVMJNCCPJNG-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000294016848 177226324 /nfs/dbraw/zinc/22/63/24/177226324.db2.gz IXGPXPQOLYPNQW-YUMQZZPRSA-N -1 3 239.702 2.526 20 0 BFADHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2[O-])C1 ZINC000019840009 177357370 /nfs/dbraw/zinc/35/73/70/177357370.db2.gz SPTQARSSDUHYOR-QWRGUYRKSA-N -1 3 233.311 2.510 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@H](CC)CC[C@@H]2C)n1 ZINC000271526045 487638138 /nfs/dbraw/zinc/63/81/38/487638138.db2.gz LRNBITXVUHTSOB-CMPLNLGQSA-N -1 3 249.358 2.508 20 0 BFADHM Cc1ccccc1/C=C/C(=O)[N-]OC1CCC1 ZINC000493068938 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NVLDFPJNTUWGIG-SSDOTTSWSA-N -1 3 248.681 2.989 20 0 BFADHM CO[C@H](C)CCOc1c(Cl)ccc([O-])c1F ZINC001234263839 978805563 /nfs/dbraw/zinc/80/55/63/978805563.db2.gz IKQOISDWHYJKCI-SSDOTTSWSA-N -1 3 248.681 2.989 20 0 BFADHM CC[C@H](COc1c([O-])cc(Cl)cc1F)OC ZINC001234444532 978837797 /nfs/dbraw/zinc/83/77/97/978837797.db2.gz QCZFRQQTYGLALJ-MRVPVSSYSA-N -1 3 248.681 2.989 20 0 BFADHM COc1cnc(-c2cc([O-])cc(Cl)c2)cn1 ZINC001235899643 979190711 /nfs/dbraw/zinc/19/07/11/979190711.db2.gz JNQGNEHODGFHFT-UHFFFAOYSA-N -1 3 236.658 2.511 20 0 BFADHM CN(Cc1cncs1)Cc1occc1[S-] ZINC001237185662 979837336 /nfs/dbraw/zinc/83/73/36/979837336.db2.gz GUBZTYLGFHDWNS-UHFFFAOYSA-N -1 3 240.353 2.657 20 0 BFADHM CC(=O)c1cccc(NC(=O)OC(C)C)c1[O-] ZINC001193486308 981349192 /nfs/dbraw/zinc/34/91/92/981349192.db2.gz GCNULKUPHKCPSH-UHFFFAOYSA-N -1 3 237.255 2.552 20 0 BFADHM CC[C@@H](C)NC(=S)Nc1c([O-])cccc1F ZINC001200481939 983045018 /nfs/dbraw/zinc/04/50/18/983045018.db2.gz OBPIBCFJUVQHQF-SSDOTTSWSA-N -1 3 242.319 2.616 20 0 BFADHM Nc1ccc(-c2cccc(F)c2[O-])cc1F ZINC001242351251 983625077 /nfs/dbraw/zinc/62/50/77/983625077.db2.gz UXMSINPXJUUNOD-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM CCCC[C@H](CC)Oc1nc[n-]c(=O)c1C ZINC001226070602 974774470 /nfs/dbraw/zinc/77/44/70/974774470.db2.gz BPUDYQGCHQBPMJ-JTQLQIEISA-N -1 3 224.304 2.838 20 0 BFADHM CC[C@@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144545129 972857451 /nfs/dbraw/zinc/85/74/51/972857451.db2.gz SSQWIBXLXSNPCY-MRVPVSSYSA-N -1 3 229.270 2.901 20 0 BFADHM CC1=CC[C@](C)(C(=O)[N-]OC(C)(C)C)CC1 ZINC001328988413 973416718 /nfs/dbraw/zinc/41/67/18/973416718.db2.gz JNPAACPLLLCMFO-ZDUSSCGKSA-N -1 3 225.332 2.969 20 0 BFADHM Cc1cc(O)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001215505030 970769747 /nfs/dbraw/zinc/76/97/47/970769747.db2.gz LUQIZEPXHGPCJR-UHFFFAOYSA-N -1 3 233.271 2.951 20 0 BFADHM Cc1coc(Nc2cc(F)c([O-])cc2F)n1 ZINC001215570225 970788130 /nfs/dbraw/zinc/78/81/30/970788130.db2.gz OYAOSNNBGCRHCX-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM CC(C)Oc1cncc(-c2cccc([O-])c2F)n1 ZINC001243543544 970790813 /nfs/dbraw/zinc/79/08/13/970790813.db2.gz GJSSWKUAIZCKMF-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM Cc1cc(Nc2cc(F)c([O-])cc2F)no1 ZINC001215570877 970791598 /nfs/dbraw/zinc/79/15/98/970791598.db2.gz ZIPQBWSFSFPPRV-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM [O-]c1cccc(-c2cc3nccnc3cn2)c1F ZINC001243544761 970793636 /nfs/dbraw/zinc/79/36/36/970793636.db2.gz WWNDIZZMRVZAEX-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM Cc1cncnc1Nc1cc(F)c([O-])cc1F ZINC001215572330 970794355 /nfs/dbraw/zinc/79/43/55/970794355.db2.gz CXXZAORUOJLULV-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM COc1cc(C)c(-c2cccc([O-])c2F)cn1 ZINC001243546440 970799810 /nfs/dbraw/zinc/79/98/10/970799810.db2.gz NBBDWEZUZYQODR-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1cccc(-c2cccc(O)c2)c1F ZINC001243547792 970800129 /nfs/dbraw/zinc/80/01/29/970800129.db2.gz WAZOGFLTXKYVRV-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM C[C@@H]1C[C@@H]1c1nnc(Cc2ccc([O-])cc2F)o1 ZINC001256668815 970914766 /nfs/dbraw/zinc/91/47/66/970914766.db2.gz RTPGBWHVBDAJRI-XCBNKYQSSA-N -1 3 248.257 2.629 20 0 BFADHM Cc1cc(O)cc([O-])c1-c1nnc([C@H]2C[C@H]2C)o1 ZINC001256765797 970982013 /nfs/dbraw/zinc/98/20/13/970982013.db2.gz ZVOQTSRINPQCLB-MUWHJKNJSA-N -1 3 246.266 2.580 20 0 BFADHM COc1nonc1[N-]c1ccc(Cl)cc1C ZINC001216430711 971088753 /nfs/dbraw/zinc/08/87/53/971088753.db2.gz ODSCMUFJVVSHKY-UHFFFAOYSA-N -1 3 239.662 2.784 20 0 BFADHM [O-]c1coc2cc(OCCCC3CC3)ccc12 ZINC000405946766 971318167 /nfs/dbraw/zinc/31/81/67/971318167.db2.gz CRCRDKONCMEUPO-UHFFFAOYSA-N -1 3 232.279 2.831 20 0 BFADHM Cc1cc(-c2ccncc2N)cc(Cl)c1[O-] ZINC001244539613 971329198 /nfs/dbraw/zinc/32/91/98/971329198.db2.gz ZGMNIQPXAJNFMA-UHFFFAOYSA-N -1 3 234.686 2.998 20 0 BFADHM Cc1[n-]n(CCC(C)C)c(=O)c1C(C)C ZINC000108373796 971901299 /nfs/dbraw/zinc/90/12/99/971901299.db2.gz CFJYAWUKKYEGFO-NSHDSACASA-N -1 3 210.321 2.523 20 0 BFADHM NC(=O)Nc1cccc(-c2c([O-])cccc2F)c1 ZINC001245654727 971950371 /nfs/dbraw/zinc/95/03/71/971950371.db2.gz GCTUERQASFUHRV-UHFFFAOYSA-N -1 3 246.241 2.689 20 0 BFADHM Fc1cccc2c1C[C@H](NC1=CC=C[CH]1)CC2 ZINC001170963898 972172883 /nfs/dbraw/zinc/17/28/83/972172883.db2.gz YPKRIRKRWYSNAO-CYBMUJFWSA-N -1 3 228.290 2.931 20 0 BFADHM C=Cc1cccc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001209915190 957561793 /nfs/dbraw/zinc/56/17/93/957561793.db2.gz MHWAXVGIYPOYLU-UHFFFAOYSA-N -1 3 227.267 2.877 20 0 BFADHM CCCn1nccc1[N-]c1nnc(C(C)C)o1 ZINC001210913026 957935450 /nfs/dbraw/zinc/93/54/50/957935450.db2.gz RWPQTGDQAOLLHO-UHFFFAOYSA-N -1 3 235.291 2.543 20 0 BFADHM C=C(Nc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001210982474 957961528 /nfs/dbraw/zinc/96/15/28/957961528.db2.gz MVOOOVPQDSEPTO-UHFFFAOYSA-N -1 3 245.307 2.554 20 0 BFADHM Cc1cncc(NC(=O)c2c(C)cccc2[O-])c1 ZINC000706672494 958139204 /nfs/dbraw/zinc/13/92/04/958139204.db2.gz SNVYFEGRIUCSQD-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM [O-]c1c(F)cc(CN2C3CCC2CC3)cc1F ZINC000398881374 958424302 /nfs/dbraw/zinc/42/43/02/958424302.db2.gz IXMAECYACKWFKI-UHFFFAOYSA-N -1 3 239.265 2.797 20 0 BFADHM Cc1nccc(Nc2cc(F)c([O-])c(F)c2)n1 ZINC001213370379 959009578 /nfs/dbraw/zinc/00/95/78/959009578.db2.gz FTGNXFRMUJVWCC-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM O=C([O-])c1ccc(CN2CCCC3(CCC3)C2)o1 ZINC001140949214 960740040 /nfs/dbraw/zinc/74/00/40/960740040.db2.gz SMIWHUYAMNYXJU-UHFFFAOYSA-N -1 3 249.310 2.744 20 0 BFADHM CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)C ZINC001142776282 961735873 /nfs/dbraw/zinc/73/58/73/961735873.db2.gz AYNOAERKLAVEOR-UHFFFAOYSA-N -1 3 235.283 2.579 20 0 BFADHM CC(C)(C)C(=O)Nc1ccc(F)c([O-])c1 ZINC001142776604 961738036 /nfs/dbraw/zinc/73/80/36/961738036.db2.gz VYLBNFHKXZPWQE-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM CC[C@@H](COC)Oc1cccc([O-])c1Cl ZINC001226710120 963312353 /nfs/dbraw/zinc/31/23/53/963312353.db2.gz WBYGDMIDLJVPDZ-QMMMGPOBSA-N -1 3 230.691 2.849 20 0 BFADHM Cc1ccc2c(c1)[C@@H](Oc1cc(=O)[n-]cn1)CC2 ZINC001226947463 963412806 /nfs/dbraw/zinc/41/28/06/963412806.db2.gz REXXKLUCUBBKPU-LBPRGKRZSA-N -1 3 242.278 2.557 20 0 BFADHM CC(C)=CCC[C@@H](C)Oc1ccc(=O)[n-]n1 ZINC001227092814 963453898 /nfs/dbraw/zinc/45/38/98/963453898.db2.gz DSMULWGTBZMLRK-SNVBAGLBSA-N -1 3 222.288 2.696 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000713922004 963565454 /nfs/dbraw/zinc/56/54/54/963565454.db2.gz QDAZRPXIVIWZDE-MRVPVSSYSA-N -1 3 235.274 2.658 20 0 BFADHM CCCNc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001168130612 963814225 /nfs/dbraw/zinc/81/42/25/963814225.db2.gz KJWGLRQWVBFMSC-UHFFFAOYSA-N -1 3 237.250 2.606 20 0 BFADHM Cc1cnc(NCc2ncccc2[O-])c(Cl)c1 ZINC001158770502 963922479 /nfs/dbraw/zinc/92/24/79/963922479.db2.gz DLAGCGVKDRHMAI-UHFFFAOYSA-N -1 3 249.701 2.756 20 0 BFADHM Cc1ccc(Cl)c(NCc2ncccc2[O-])n1 ZINC001158770979 963922546 /nfs/dbraw/zinc/92/25/46/963922546.db2.gz OXZJOLNRTBFSHS-UHFFFAOYSA-N -1 3 249.701 2.756 20 0 BFADHM Cc1conc1Nc1ccc([O-])c(F)c1F ZINC001211997911 964144885 /nfs/dbraw/zinc/14/48/85/964144885.db2.gz RXJPQTOFACMVFE-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM Cc1coc(Nc2ccc([O-])c(F)c2F)n1 ZINC001211997938 964147642 /nfs/dbraw/zinc/14/76/42/964147642.db2.gz SYKDXCJWDHZIJB-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM CCc1cc([N-]c2cnc(C)s2)on1 ZINC001212130340 964918505 /nfs/dbraw/zinc/91/85/05/964918505.db2.gz LBWHTVPTEHOPPB-UHFFFAOYSA-N -1 3 209.274 2.746 20 0 BFADHM CC1(F)CCN(Cc2cccc([O-])c2F)CC1 ZINC001233050535 965462710 /nfs/dbraw/zinc/46/27/10/965462710.db2.gz OZWAVXMPACIJQS-UHFFFAOYSA-N -1 3 241.281 2.855 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ccc3nc[nH]c3n2)c1 ZINC001235901674 966148690 /nfs/dbraw/zinc/14/86/90/966148690.db2.gz XDAZKTSXAMUNFG-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM [O-]c1cc(Cl)cc(-c2cnc(F)nc2F)c1 ZINC001235906964 966151511 /nfs/dbraw/zinc/15/15/11/966151511.db2.gz RWJRUNSZEWFEIB-UHFFFAOYSA-N -1 3 242.612 2.781 20 0 BFADHM O=c1[n-]cncc1Nc1c2cc[nH]c2ccc1F ZINC001204254447 966948834 /nfs/dbraw/zinc/94/88/34/966948834.db2.gz LKGMWTBBYIXXDQ-UHFFFAOYSA-N -1 3 244.229 2.546 20 0 BFADHM O=c1[n-]cncc1Nc1cc2cc(F)ccc2[nH]1 ZINC001249851646 967090200 /nfs/dbraw/zinc/09/02/00/967090200.db2.gz ZUBLAPLGTFFGQY-UHFFFAOYSA-N -1 3 244.229 2.546 20 0 BFADHM Fc1cc(C2=CCCC2)ccc1-c1nnn[n-]1 ZINC001239788961 967183606 /nfs/dbraw/zinc/18/36/06/967183606.db2.gz KLVUFYWSOBEKRF-UHFFFAOYSA-N -1 3 230.246 2.573 20 0 BFADHM Fc1cc(C2=CCCC2)ccc1-c1nn[n-]n1 ZINC001239788961 967183613 /nfs/dbraw/zinc/18/36/13/967183613.db2.gz KLVUFYWSOBEKRF-UHFFFAOYSA-N -1 3 230.246 2.573 20 0 BFADHM O=C(Nc1ccc([O-])c(F)c1)NC1CCCC1 ZINC000094891201 967286121 /nfs/dbraw/zinc/28/61/21/967286121.db2.gz ZEURKXJMTWAVMF-UHFFFAOYSA-N -1 3 238.262 2.595 20 0 BFADHM Cc1nsc([N-]c2cc(F)cc(F)c2O)n1 ZINC001212477403 967478987 /nfs/dbraw/zinc/47/89/87/967478987.db2.gz CJKKSSRTSPDPSV-UHFFFAOYSA-N -1 3 243.238 2.574 20 0 BFADHM Cc1nsc(Nc2cc(F)cc(F)c2[O-])n1 ZINC001212477403 967478996 /nfs/dbraw/zinc/47/89/96/967478996.db2.gz CJKKSSRTSPDPSV-UHFFFAOYSA-N -1 3 243.238 2.574 20 0 BFADHM Cc1ncccc1Nc1cc(=O)[n-]c(C2CC2)n1 ZINC001205346021 967561569 /nfs/dbraw/zinc/56/15/69/967561569.db2.gz NLCIRSNUBYABDI-UHFFFAOYSA-N -1 3 242.282 2.507 20 0 BFADHM O=C(Cc1ccc(F)c([O-])c1)Oc1ccccc1 ZINC001250258510 967571091 /nfs/dbraw/zinc/57/10/91/967571091.db2.gz GLUAOGFUFBXULO-UHFFFAOYSA-N -1 3 246.237 2.679 20 0 BFADHM [O-]c1cc(Cc2ccncc2)ccc1F ZINC001250314477 967669187 /nfs/dbraw/zinc/66/91/87/967669187.db2.gz WFVIWXNOLBPHHE-UHFFFAOYSA-N -1 3 203.216 2.517 20 0 BFADHM [O-]c1ccc(F)c(Cc2ccncc2)c1F ZINC001250313220 967671169 /nfs/dbraw/zinc/67/11/69/967671169.db2.gz UZEIICMQACAPTJ-UHFFFAOYSA-N -1 3 221.206 2.656 20 0 BFADHM CC(C)OCCc1c(F)ccc([O-])c1F ZINC001250403577 967814776 /nfs/dbraw/zinc/81/47/76/967814776.db2.gz FEHFAOLEXBBIOF-UHFFFAOYSA-N -1 3 216.227 2.638 20 0 BFADHM Cc1cccc(Cc2cccc([O-])c2F)n1 ZINC001250424523 967835358 /nfs/dbraw/zinc/83/53/58/967835358.db2.gz NHZUWVUHSYGYIM-UHFFFAOYSA-N -1 3 217.243 2.826 20 0 BFADHM Cc1cccnc1-c1ccc(F)c([O-])c1 ZINC001250474442 967899332 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[O-]c1cc(Cl)cnc1OC1CC(F)(F)C1 ZINC001227980375 975825805 /nfs/dbraw/zinc/82/58/05/975825805.db2.gz MIOQIIVXRFUIOR-UHFFFAOYSA-N -1 3 235.617 2.617 20 0 BFADHM [O-]c1cc(Cl)cnc1OC[C@@H]1CCC=CO1 ZINC001227980569 975826358 /nfs/dbraw/zinc/82/63/58/975826358.db2.gz PYHWPVUEMMNUEZ-VIFPVBQESA-N -1 3 241.674 2.512 20 0 BFADHM Cc1nc(Nc2c(C)cccc2C)cc(=O)[n-]1 ZINC001173873662 975831473 /nfs/dbraw/zinc/83/14/73/975831473.db2.gz SMNAUUOLMXQABN-UHFFFAOYSA-N -1 3 229.283 2.851 20 0 BFADHM [O-]c1cc(F)cnc1Nc1cc(F)cc(F)c1 ZINC001173914289 975896498 /nfs/dbraw/zinc/89/64/98/975896498.db2.gz NIVRHFLEFOIDCB-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM CCc1ccccc1Nc1cnc(C)[n-]c1=O ZINC001173969504 976034169 /nfs/dbraw/zinc/03/41/69/976034169.db2.gz JZVLHDHYBYGSAD-UHFFFAOYSA-N -1 3 229.283 2.797 20 0 BFADHM O=c1cc(Nc2ccoc2)[n-]n1-c1ccccc1 ZINC001173933874 976054313 /nfs/dbraw/zinc/05/43/13/976054313.db2.gz YVQJNGHCIBEGTP-UHFFFAOYSA-N -1 3 241.250 2.915 20 0 BFADHM Cc1ncc(Nc2cccc(F)c2F)c(=O)[n-]1 ZINC001173945412 976089018 /nfs/dbraw/zinc/08/90/18/976089018.db2.gz ADELGKDTUUJLNE-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM S=c1nc(-c2ccccc2)cc(OC2CC2)[n-]1 ZINC001228347603 976141207 /nfs/dbraw/zinc/14/12/07/976141207.db2.gz SXPXCXBFRXBCQV-UHFFFAOYSA-N -1 3 244.319 2.974 20 0 BFADHM COC(=O)c1cccc([O-])c1N=C1CCCC1 ZINC001174000243 976164598 /nfs/dbraw/zinc/16/45/98/976164598.db2.gz VZGNJDKLZIJHDI-UHFFFAOYSA-N -1 3 233.267 2.659 20 0 BFADHM COc1nonc1[N-]c1cccc(OC(C)C)c1 ZINC001174112622 976323858 /nfs/dbraw/zinc/32/38/58/976323858.db2.gz OZLDBSCQHKWXKN-UHFFFAOYSA-N -1 3 249.270 2.609 20 0 BFADHM C[C@@H]1C[C@H]1c1ccc(CNc2cc(=O)[n-]cn2)o1 ZINC001334126240 976325014 /nfs/dbraw/zinc/32/50/14/976325014.db2.gz OSCRQAQONUZMPH-PSASIEDQSA-N -1 3 245.282 2.511 20 0 BFADHM Cc1n[nH]c(C)c1Nc1ncc(Cl)cc1[O-] ZINC001174214932 976396579 /nfs/dbraw/zinc/39/65/79/976396579.db2.gz AXYDQIQCVCAETH-UHFFFAOYSA-N -1 3 238.678 2.524 20 0 BFADHM Cc1ccc([N-]c2noc(C(C)(C)C)n2)cn1 ZINC001174280904 976434751 /nfs/dbraw/zinc/43/47/51/976434751.db2.gz TVKREUVHYRWIMH-UHFFFAOYSA-N -1 3 232.287 2.814 20 0 BFADHM CC[C@@H](C)Oc1cc2c(cc1[O-])CCC2=O ZINC001228853339 976536971 /nfs/dbraw/zinc/53/69/71/976536971.db2.gz HTCJBVNDQXHFSF-MRVPVSSYSA-N -1 3 220.268 2.698 20 0 BFADHM Cc1c([N-]c2nc3ccc(F)cc3o2)cnn1C ZINC001174389494 976650565 /nfs/dbraw/zinc/65/05/65/976650565.db2.gz FPWYZERZHAWQMI-UHFFFAOYSA-N -1 3 246.245 2.752 20 0 BFADHM O=c1[n-]cncc1Nc1ccc2occc2c1 ZINC001174416609 976661744 /nfs/dbraw/zinc/66/17/44/976661744.db2.gz ULTDEHQYZNUVIB-UHFFFAOYSA-N -1 3 227.223 2.672 20 0 BFADHM Cc1cc(Nc2cnc(C)[n-]c2=O)c(C)s1 ZINC001174419851 976667748 /nfs/dbraw/zinc/66/77/48/976667748.db2.gz YPZJPSTUSCAHKT-UHFFFAOYSA-N -1 3 235.312 2.913 20 0 BFADHM CC(C)Oc1cc(O)cc([O-])c1Br ZINC001229098273 976726406 /nfs/dbraw/zinc/72/64/06/976726406.db2.gz FMUOISGLIGTHKC-UHFFFAOYSA-N -1 3 247.088 2.648 20 0 BFADHM [O-]c1cccc(OC2CC2)c1Br ZINC001229140693 976771745 /nfs/dbraw/zinc/77/17/45/976771745.db2.gz DBFJBZFDZSNIQW-UHFFFAOYSA-N -1 3 229.073 2.696 20 0 BFADHM Cc1cc(F)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001174530274 976812180 /nfs/dbraw/zinc/81/21/80/976812180.db2.gz XPKGMKBRWKSFNW-UHFFFAOYSA-N -1 3 233.246 2.682 20 0 BFADHM COc1nonc1[N-]c1cccc(C(F)F)c1 ZINC001174619465 976891239 /nfs/dbraw/zinc/89/12/39/976891239.db2.gz SGUFXXGPEPLKIT-UHFFFAOYSA-N -1 3 241.197 2.759 20 0 BFADHM CC[C@H](C)[C@@H](C)Oc1nc(C)[n-]c(=O)c1C ZINC001229686758 976949846 /nfs/dbraw/zinc/94/98/46/976949846.db2.gz UMEUEUVUXJCVIM-IONNQARKSA-N -1 3 224.304 2.612 20 0 BFADHM Cc1nonc1[N-]c1cc(F)c(F)c(F)c1 ZINC001174955566 977186541 /nfs/dbraw/zinc/18/65/41/977186541.db2.gz OGTKJXJQFHAKCR-UHFFFAOYSA-N -1 3 229.161 2.539 20 0 BFADHM COc1cc(C)c(Nc2cnc[n-]c2=O)cc1C ZINC001175109823 977251611 /nfs/dbraw/zinc/25/16/11/977251611.db2.gz JVOOAAXCSIXUJU-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM CCOc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001175092514 977264322 /nfs/dbraw/zinc/26/43/22/977264322.db2.gz VRMZGUIUBQXSPB-UHFFFAOYSA-N -1 3 245.282 2.633 20 0 BFADHM Cc1coc(Nc2c(F)cc([O-])cc2F)n1 ZINC001175094470 977266273 /nfs/dbraw/zinc/26/62/73/977266273.db2.gz GGUSUIHXTMCNEH-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM Cc1cnc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175261780 977357911 /nfs/dbraw/zinc/35/79/11/977357911.db2.gz PPLCCVSOHVPSLT-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1nccc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175261515 977359188 /nfs/dbraw/zinc/35/91/88/977359188.db2.gz LGQASDIOWLCQKC-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1ccnnc1Nc1c(F)ccc([O-])c1F ZINC001175263590 977361356 /nfs/dbraw/zinc/36/13/56/977361356.db2.gz LTOCISURIGLCJD-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1nocc1Nc1c(F)ccc([O-])c1F ZINC001175263205 977362075 /nfs/dbraw/zinc/36/20/75/977362075.db2.gz HAIGUMCOZIZKST-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM CCn1cnc(Nc2c(F)ccc([O-])c2F)c1 ZINC001175265880 977363949 /nfs/dbraw/zinc/36/39/49/977363949.db2.gz LTWWJXBYMRBOHU-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)c(F)c1 ZINC001175320499 977370990 /nfs/dbraw/zinc/37/09/90/977370990.db2.gz HKVSHYHGZPRBQR-UHFFFAOYSA-N -1 3 233.246 2.682 20 0 BFADHM O=c1nc(OC2CCC2)c(-c2ccccc2)c[n-]1 ZINC001230971142 977410279 /nfs/dbraw/zinc/41/02/79/977410279.db2.gz SAVRPVIBFYAMMB-UHFFFAOYSA-N -1 3 242.278 2.781 20 0 BFADHM O=c1nc2cccc(F)c2c(OC2CC=CC2)[n-]1 ZINC001231074967 977466361 /nfs/dbraw/zinc/46/63/61/977466361.db2.gz UNOQCQYFDAESJX-UHFFFAOYSA-N -1 3 246.241 2.572 20 0 BFADHM CCC[C@H](CC)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118490 977483867 /nfs/dbraw/zinc/48/38/67/977483867.db2.gz PNRGVZNEVDJOAY-NSHDSACASA-N -1 3 246.314 2.824 20 0 BFADHM CCC[C@H](CC)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118490 977483891 /nfs/dbraw/zinc/48/38/91/977483891.db2.gz PNRGVZNEVDJOAY-NSHDSACASA-N -1 3 246.314 2.824 20 0 BFADHM CCCC[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118462 977490443 /nfs/dbraw/zinc/49/04/43/977490443.db2.gz OQUBLNYYUHTLBK-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM CCCC[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118462 977490463 /nfs/dbraw/zinc/49/04/63/977490463.db2.gz OQUBLNYYUHTLBK-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM C[C@@H]1CCN1Cc1ccc(Cl)c([O-])c1 ZINC001231730470 977721918 /nfs/dbraw/zinc/72/19/18/977721918.db2.gz BHHCSSIWQQEQFX-MRVPVSSYSA-N -1 3 211.692 2.640 20 0 BFADHM [O-]c1cc(F)c(F)cc1Nc1ccc(F)cn1 ZINC001175851170 977781153 /nfs/dbraw/zinc/78/11/53/977781153.db2.gz GRAMQEVOMPYHNQ-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM [O-]c1cc(Nc2ccc(F)cn2)c(F)cc1F ZINC001175850922 977781769 /nfs/dbraw/zinc/78/17/69/977781769.db2.gz NTHJIORARMRUDJ-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM [O-]c1cc(Nc2cscn2)c(F)cc1F ZINC001175943081 977807427 /nfs/dbraw/zinc/80/74/27/977807427.db2.gz HQFNUINKPVZBIA-UHFFFAOYSA-N -1 3 228.223 2.871 20 0 BFADHM [O-]c1cc(F)cnc1Nc1cccc2c1OCC2 ZINC001176074357 977869356 /nfs/dbraw/zinc/86/93/56/977869356.db2.gz LNOIGLOHXFTZIU-UHFFFAOYSA-N -1 3 246.241 2.605 20 0 BFADHM Cc1nc(NC=CCc2ccccc2)cc(=O)[n-]1 ZINC001176216395 977996188 /nfs/dbraw/zinc/99/61/88/977996188.db2.gz JQKFKXYDOYPCBP-WEVVVXLNSA-N -1 3 241.294 2.659 20 0 BFADHM Cc1ncc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001176394591 978066607 /nfs/dbraw/zinc/06/66/07/978066607.db2.gz ZOWRBIWXOXRPER-UHFFFAOYSA-N -1 3 244.229 2.809 20 0 BFADHM O=c1[n-]cncc1Nc1cccc(C2CC2)c1 ZINC001176723566 978160167 /nfs/dbraw/zinc/16/01/67/978160167.db2.gz HGAVUCCGQQCYLL-UHFFFAOYSA-N -1 3 227.267 2.803 20 0 BFADHM CC1(C)CCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232972229 978374249 /nfs/dbraw/zinc/37/42/49/978374249.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM Cc1cc([C@H](C)Nc2nc(C)cc(=O)[n-]2)c(C)o1 ZINC001337755254 978485442 /nfs/dbraw/zinc/48/54/42/978485442.db2.gz ILGVVZYNXAOBEM-VIFPVBQESA-N -1 3 247.298 2.874 20 0 BFADHM Cc1noc([N-][C@@H]2CSc3ccccc32)n1 ZINC001337782653 978493324 /nfs/dbraw/zinc/49/33/24/978493324.db2.gz NWPOMMCOHJKSPF-SECBINFHSA-N -1 3 233.296 2.637 20 0 BFADHM FC[C@H]1CCCN1Cc1ccc([S-])cc1 ZINC001233262932 978519539 /nfs/dbraw/zinc/51/95/39/978519539.db2.gz AJSWEPJDXUQKPF-LLVKDONJSA-N -1 3 225.332 2.909 20 0 BFADHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCCOC1 ZINC001233592796 978639898 /nfs/dbraw/zinc/63/98/98/978639898.db2.gz PDZRRIVXCQIOJZ-SECBINFHSA-N -1 3 242.702 2.912 20 0 BFADHM [O-]c1coc2ccc(O[C@@H]3C[C@H]4CC[C@@H]3C4)cc12 ZINC001233677246 978670445 /nfs/dbraw/zinc/67/04/45/978670445.db2.gz HQUHQHWXAYSALL-FEUHOPSXSA-N -1 3 244.290 2.829 20 0 BFADHM C[C@@H]1CC[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233678611 978671376 /nfs/dbraw/zinc/67/13/76/978671376.db2.gz VWENHTSPHNWPNX-ZJUUUORDSA-N -1 3 232.279 2.829 20 0 BFADHM Cc1cc(CN2CC3(CCC3)C2)ccc1C(=O)[O-] ZINC001600193141 978674557 /nfs/dbraw/zinc/67/45/57/978674557.db2.gz YKUVXNMYLUXHEQ-UHFFFAOYSA-N -1 3 245.322 2.679 20 0 BFADHM CC1(C)C[C@H](Oc2cccc([O-])c2F)CCO1 ZINC001233870856 978719652 /nfs/dbraw/zinc/71/96/52/978719652.db2.gz JJKBOLFYDPTYJT-SECBINFHSA-N -1 3 240.274 2.868 20 0 BFADHM CC(=O)[C@@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448435 978839334 /nfs/dbraw/zinc/83/93/34/978839334.db2.gz RYSNZMZPNCSODX-ZCFIWIBFSA-N -1 3 232.638 2.541 20 0 BFADHM CCOC[C@H](C)Oc1c([O-])cc(Cl)cc1F ZINC001234448684 978839658 /nfs/dbraw/zinc/83/96/58/978839658.db2.gz WQPNACTXRCDSQD-ZETCQYMHSA-N -1 3 248.681 2.989 20 0 BFADHM C[C@H]1C[C@H](Oc2nc3ccsc3[n-]2)CCO1 ZINC001234847770 978914205 /nfs/dbraw/zinc/91/42/05/978914205.db2.gz LLHXLUFXOUOWOA-JGVFFNPUSA-N -1 3 238.312 2.571 20 0 BFADHM C[C@H]1C[C@H](Oc2nc3sccc3[n-]2)CCO1 ZINC001234847770 978914209 /nfs/dbraw/zinc/91/42/09/978914209.db2.gz LLHXLUFXOUOWOA-JGVFFNPUSA-N -1 3 238.312 2.571 20 0 BFADHM C[C@@H]1C[C@H](Oc2nc3ccsc3[n-]2)CCO1 ZINC001234847769 978914287 /nfs/dbraw/zinc/91/42/87/978914287.db2.gz LLHXLUFXOUOWOA-HTQZYQBOSA-N -1 3 238.312 2.571 20 0 BFADHM C[C@@H]1C[C@H](Oc2nc3sccc3[n-]2)CCO1 ZINC001234847769 978914288 /nfs/dbraw/zinc/91/42/88/978914288.db2.gz LLHXLUFXOUOWOA-HTQZYQBOSA-N -1 3 238.312 2.571 20 0 BFADHM O=C([O-])c1ccc(CN2CC[C@H]2C2CC2)c(F)c1 ZINC001602338031 979107072 /nfs/dbraw/zinc/10/70/72/979107072.db2.gz NDSUCFKESIUOLL-ZDUSSCGKSA-N -1 3 249.285 2.508 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ncc3cc[nH]c3n2)c1 ZINC001235899663 979188258 /nfs/dbraw/zinc/18/82/58/979188258.db2.gz MLNMUBMNNRKXNA-UHFFFAOYSA-N -1 3 245.669 2.936 20 0 BFADHM Cc1nccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235901495 979193272 /nfs/dbraw/zinc/19/32/72/979193272.db2.gz VKTBWVCTMJKSTL-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM CCSCCc1ccc([O-])c(F)c1F ZINC001250021578 979322946 /nfs/dbraw/zinc/32/29/46/979322946.db2.gz GIWMXPFJPUJZNU-UHFFFAOYSA-N -1 3 218.268 2.966 20 0 BFADHM CCCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001604234892 979603906 /nfs/dbraw/zinc/60/39/06/979603906.db2.gz AEXCLOQJHXTPHN-UHFFFAOYSA-N -1 3 248.355 2.552 20 0 BFADHM CCCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001604234892 979603910 /nfs/dbraw/zinc/60/39/10/979603910.db2.gz AEXCLOQJHXTPHN-UHFFFAOYSA-N -1 3 248.355 2.552 20 0 BFADHM C[C@@H](N[C@@H]1CC12CCCC2)c1cc(C(=O)[O-])co1 ZINC001604330565 979616687 /nfs/dbraw/zinc/61/66/87/979616687.db2.gz RBSTYEIRZPKLET-BXKDBHETSA-N -1 3 249.310 2.961 20 0 BFADHM C[C@@H](N[C@]1(C)CC1(C)C)c1cc(C(=O)[O-])co1 ZINC001604323966 979618749 /nfs/dbraw/zinc/61/87/49/979618749.db2.gz DMURHSBDPVYMKJ-AMIZOPFISA-N -1 3 237.299 2.817 20 0 BFADHM [O-]c1cc(CN2CCCC(F)(F)C2)ccc1F ZINC001236701358 979695775 /nfs/dbraw/zinc/69/57/75/979695775.db2.gz FDCZILYQZMUQCH-UHFFFAOYSA-N -1 3 245.244 2.762 20 0 BFADHM Fc1cc(-c2nnn[n-]2)cc(-c2ccccc2)c1 ZINC001239468103 980596682 /nfs/dbraw/zinc/59/66/82/980596682.db2.gz BVXKWUOXLHXSMR-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1cc(-c2nn[n-]n2)cc(-c2ccccc2)c1 ZINC001239468103 980596685 /nfs/dbraw/zinc/59/66/85/980596685.db2.gz BVXKWUOXLHXSMR-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1ccc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001239468104 980596824 /nfs/dbraw/zinc/59/68/24/980596824.db2.gz XZQKUXZSEGMTMK-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1ccc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC001239468104 980596828 /nfs/dbraw/zinc/59/68/28/980596828.db2.gz XZQKUXZSEGMTMK-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CC12CC2 ZINC001188649214 980677058 /nfs/dbraw/zinc/67/70/58/980677058.db2.gz VEZXCKSUZTXQSP-SNVBAGLBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc(NC(=O)NC2CC2)c(Cl)c1[O-] ZINC001191481594 981040444 /nfs/dbraw/zinc/04/04/44/981040444.db2.gz OYKJHCNRHHOJKJ-UHFFFAOYSA-N -1 3 240.690 2.638 20 0 BFADHM COc1ccc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001240118848 981115608 /nfs/dbraw/zinc/11/56/08/981115608.db2.gz SVBVOZKYQHHLCN-UHFFFAOYSA-N -1 3 236.271 2.580 20 0 BFADHM Cc1ccnc(-c2ccc(F)c([O-])c2)c1 ZINC001250457343 981135305 /nfs/dbraw/zinc/13/53/05/981135305.db2.gz NXUFZKFVPCLZDP-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM [O-]c1ccc(F)c(CNC/C=C\C2CC2)c1F ZINC001347710343 981150748 /nfs/dbraw/zinc/15/07/48/981150748.db2.gz WXYDTLAZEVNZDY-UPHRSURJSA-N -1 3 239.265 2.726 20 0 BFADHM CC(C)(O)c1cccc(-c2ccc(=S)[n-]n2)c1 ZINC001240406584 981357116 /nfs/dbraw/zinc/35/71/16/981357116.db2.gz QHDLGUIMFUNLNL-UHFFFAOYSA-N -1 3 246.335 2.660 20 0 BFADHM CCCCOC(=O)Nc1cc(F)ccc1[O-] ZINC001193696740 981423395 /nfs/dbraw/zinc/42/33/95/981423395.db2.gz NCCCWOCTZVIMMR-UHFFFAOYSA-N -1 3 227.235 2.880 20 0 BFADHM CCCOC(=O)Nc1c([O-])cccc1C(C)=O ZINC001194123163 981564270 /nfs/dbraw/zinc/56/42/70/981564270.db2.gz MPVTZOOCEJQMSD-UHFFFAOYSA-N -1 3 237.255 2.553 20 0 BFADHM Cc1ccc(OC(=O)Nc2cncc([O-])c2)cc1 ZINC001194427248 981804348 /nfs/dbraw/zinc/80/43/48/981804348.db2.gz YWTFMOGEJIPLEQ-UHFFFAOYSA-N -1 3 244.250 2.707 20 0 BFADHM COc1cc(OC)nc(-c2ccc([O-])c(F)c2)c1 ZINC001240782390 981818603 /nfs/dbraw/zinc/81/86/03/981818603.db2.gz YQBDGVWCJGNRTL-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM CC(=O)Nc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782744 981818694 /nfs/dbraw/zinc/81/86/94/981818694.db2.gz HKUSGXZQGYWFRL-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM Cc1nc2c(c(-c3ccc([O-])c(F)c3)n1)CCC2 ZINC001240783476 981821911 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[O-]c1cccc(F)c1-c1ccn2ccnc2c1 ZINC001245652501 987016634 /nfs/dbraw/zinc/01/66/34/987016634.db2.gz DHUNACALPOACCX-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM [O-]c1cccc(F)c1-c1ccc(F)nc1 ZINC001245652802 987021866 /nfs/dbraw/zinc/02/18/66/987021866.db2.gz GIETXAQPFLHOBJ-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1cnc(F)cc1-c1c([O-])cccc1F ZINC001245653073 987024553 /nfs/dbraw/zinc/02/45/53/987024553.db2.gz JCSRYGPYNBKIHM-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM COc1cncc(-c2c([O-])cccc2F)c1C ZINC001245655231 987030032 /nfs/dbraw/zinc/03/00/32/987030032.db2.gz IEBVTLDOZSAOPK-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1ccc(-c2c([O-])cccc2F)c(F)n1 ZINC001245656378 987041314 /nfs/dbraw/zinc/04/13/14/987041314.db2.gz JKQJIONLVYSFNE-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H]1CCc2ccccc21 ZINC001117769798 987899487 /nfs/dbraw/zinc/89/94/87/987899487.db2.gz GHSVLTCMTCMVFJ-LBPRGKRZSA-N -1 3 233.311 2.563 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@H]1C=CCCC1 ZINC001324244384 988764085 /nfs/dbraw/zinc/76/40/85/988764085.db2.gz JGZFUHXPKNYWLI-JTQLQIEISA-N -1 3 211.305 2.579 20 0 BFADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCCC1CC1 ZINC001324528971 988864619 /nfs/dbraw/zinc/86/46/19/988864619.db2.gz ZPCGFFLCUOATHE-GXFFZTMASA-N -1 3 225.332 2.661 20 0 BFADHM C[C@@H]1CCN(Cc2ccc([O-])c(F)c2)C[C@H]1F ZINC001120038844 989571005 /nfs/dbraw/zinc/57/10/05/989571005.db2.gz ZGBQZXBOXBUOMH-BXKDBHETSA-N -1 3 241.281 2.711 20 0 BFADHM O=C([N-]c1cnoc1)c1cc(F)cc2ccoc21 ZINC001527915789 990250894 /nfs/dbraw/zinc/25/08/94/990250894.db2.gz KRPDDAATSHJWMI-UHFFFAOYSA-N -1 3 246.197 2.812 20 0 BFADHM Cc1nocc1[N-]C(=O)c1ccc(Cl)s1 ZINC001537837155 990518801 /nfs/dbraw/zinc/51/88/01/990518801.db2.gz RDWSJAFQAACBAD-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM Cc1cscc1[N-]C(=O)c1cc(Cl)no1 ZINC001137650950 990834148 /nfs/dbraw/zinc/83/41/48/990834148.db2.gz SYGAXCRMNBCRTI-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CC(C)C1CN(Cc2csc(C(=O)[O-])c2)C1 ZINC001591096619 991691817 /nfs/dbraw/zinc/69/18/17/991691817.db2.gz LTPSVUNMOKASFT-UHFFFAOYSA-N -1 3 239.340 2.534 20 0 BFADHM [O-]c1ccc(F)c(CNC/C=C/Cl)c1F ZINC001561037316 991699366 /nfs/dbraw/zinc/69/93/66/991699366.db2.gz DCLAQIXRYYGTLL-DAFODLJHSA-N -1 3 233.645 2.513 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1C[C@H]1C(C)C ZINC001569143230 992329575 /nfs/dbraw/zinc/32/95/75/992329575.db2.gz WKDGFNQDGFCHMX-RYUDHWBXSA-N -1 3 247.338 2.723 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@H]1CC=CCC1 ZINC001262377427 992868768 /nfs/dbraw/zinc/86/87/68/992868768.db2.gz VCKUKMOAONIDSF-JTQLQIEISA-N -1 3 211.305 2.579 20 0 BFADHM CC(C)CN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751610 349492241 /nfs/dbraw/zinc/49/22/41/349492241.db2.gz AUSFDYZFOFUGDF-UHFFFAOYSA-N -1 3 239.290 2.612 20 0 BFADHM O=c1[n-]c(CC2CCCCC2)nc2cccnc21 ZINC000491608516 538921423 /nfs/dbraw/zinc/92/14/23/538921423.db2.gz YIXFCOQXZOWGGP-UHFFFAOYSA-N -1 3 243.310 2.853 20 0 BFADHM O=C(NC[C@H]1CCCC12CC2)c1cccc([O-])c1 ZINC000629838254 361735556 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178203630 /nfs/dbraw/zinc/20/36/30/178203630.db2.gz GWGYJHOQFGLMQW-GHMZBOCLSA-N -1 3 249.358 2.720 20 0 BFADHM CCC(CC)CNC(=O)c1cccc([O-])c1 ZINC000163671693 168359003 /nfs/dbraw/zinc/35/90/03/168359003.db2.gz DNPSJEPEHZFOHY-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c([O-])c1 ZINC000175856444 365609191 /nfs/dbraw/zinc/60/91/91/365609191.db2.gz SVFQWOGFGWIFOC-WDEREUQCSA-N -1 3 231.295 2.685 20 0 BFADHM Cc1ccc(C(=O)N(C)C2CCCC2)c([O-])c1 ZINC000037022461 178374362 /nfs/dbraw/zinc/37/43/62/178374362.db2.gz JQBCTEXMGWIMOF-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1ccc(C(=O)N(C)CCC2CC2)c([O-])c1 ZINC000156183654 178376668 /nfs/dbraw/zinc/37/66/68/178376668.db2.gz XFTMYVMDKNNTQD-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000051746436 178393999 /nfs/dbraw/zinc/39/39/99/178393999.db2.gz RIRFDYGRHDROHZ-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000153781643 178396711 /nfs/dbraw/zinc/39/67/11/178396711.db2.gz AMHYAMFYJNSDIO-RYUDHWBXSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1C ZINC000048379364 178389593 /nfs/dbraw/zinc/38/95/93/178389593.db2.gz BGCCVGNBAOODKI-JTQLQIEISA-N -1 3 247.338 2.881 20 0 BFADHM C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693022 344001931 /nfs/dbraw/zinc/00/19/31/344001931.db2.gz QIFVNNOWBOQNFT-POYBYMJQSA-N -1 3 225.675 2.640 20 0 BFADHM Cc1ccc(Cn2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634589010 342935399 /nfs/dbraw/zinc/93/53/99/342935399.db2.gz LNKYDDZOTTVLJU-RISCZKNCSA-N -1 3 242.322 2.739 20 0 BFADHM CCc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000486413580 529515078 /nfs/dbraw/zinc/51/50/78/529515078.db2.gz BTLJPQRHFVVYCN-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cc(C(=O)NC[C@H](C)C(C)C)ccc1[O-] ZINC000486434520 529517181 /nfs/dbraw/zinc/51/71/81/529517181.db2.gz XDGOTVXUOMYUED-NSHDSACASA-N -1 3 249.354 2.977 20 0 BFADHM CCCCN(C)C(=O)c1cccc(C)c1[O-] ZINC000019838864 342959389 /nfs/dbraw/zinc/95/93/89/342959389.db2.gz KNFINIGJCAUIRW-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000019840069 342959601 /nfs/dbraw/zinc/95/96/01/342959601.db2.gz PPZCHIZYCZGNSC-RYUDHWBXSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1[n-]n([C@@H](C)C2CC2)c(=O)c1C(C)C ZINC000634597079 342973162 /nfs/dbraw/zinc/97/31/62/342973162.db2.gz AJWYJGPIGDGCBF-CABZTGNLSA-N -1 3 222.332 2.665 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042435348 342996735 /nfs/dbraw/zinc/99/67/35/342996735.db2.gz KPCBSVCFHIKQRQ-GHMZBOCLSA-N -1 3 235.327 2.865 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCCCCC3)c(=O)c21 ZINC000634603293 342998060 /nfs/dbraw/zinc/99/80/60/342998060.db2.gz VNEOQRILXJSWIS-MFKMUULPSA-N -1 3 234.343 2.954 20 0 BFADHM Cc1[n-]n(Cc2cccc(C)c2)c(=O)c1C1CC1 ZINC000634604578 342998465 /nfs/dbraw/zinc/99/84/65/342998465.db2.gz KEXVFLBXCTWCPR-CQSZACIVSA-N -1 3 242.322 2.739 20 0 BFADHM C[C@@H]1CCc2[n-]n(Cc3ccccc3F)c(=O)c21 ZINC000634607994 343003705 /nfs/dbraw/zinc/00/37/05/343003705.db2.gz NUDQVEHTDAWFSE-NOZJJQNGSA-N -1 3 246.285 2.570 20 0 BFADHM CCC(CC)Cn1[n-]c2c(c1=O)[C@@H](C)CC2 ZINC000634622027 343020592 /nfs/dbraw/zinc/02/05/92/343020592.db2.gz VRTGUPRPMSHMJN-JOYOIKCWSA-N -1 3 222.332 2.667 20 0 BFADHM Cc1[n-]n([C@H](C)C(C)(C)C)c(=O)c1C1CC1 ZINC000634630598 343039613 /nfs/dbraw/zinc/03/96/13/343039613.db2.gz ZTULFEKEGQECFL-KOLCDFICSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@@H]1CCc2[n-]n(CC3(C)CCCC3)c(=O)c21 ZINC000634629736 343038063 /nfs/dbraw/zinc/03/80/63/343038063.db2.gz AVLFUDYQNDMINO-ZYHUDNBSSA-N -1 3 234.343 2.811 20 0 BFADHM C[C@@H](n1ncc2cc([O-])ccc2c1=O)C(C)(C)C ZINC000634630545 343039528 /nfs/dbraw/zinc/03/95/28/343039528.db2.gz YWHXNELNLSOEGV-SECBINFHSA-N -1 3 246.310 2.709 20 0 BFADHM Cc1cc(OC[C@@H]2C[C@H]2C)cc2occ([O-])c21 ZINC000634560327 362049009 /nfs/dbraw/zinc/04/90/09/362049009.db2.gz DWUXKEBLVOTSDJ-SCZZXKLOSA-N -1 3 232.279 2.605 20 0 BFADHM Cc1c2occ([O-])c2ccc1OCCC1CC1 ZINC000634560563 362049151 /nfs/dbraw/zinc/04/91/51/362049151.db2.gz NSNQLKQGARBZHL-UHFFFAOYSA-N -1 3 232.279 2.749 20 0 BFADHM CC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000124582902 187232099 /nfs/dbraw/zinc/23/20/99/187232099.db2.gz DNQXEDBCWYXXTG-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM Cc1oc(CN2C[C@@H]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC000159982957 343203135 /nfs/dbraw/zinc/20/31/35/343203135.db2.gz UHYPPSWJLIAMCN-QWRGUYRKSA-N -1 3 249.310 2.518 20 0 BFADHM Cc1oc(CN2C[C@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000159982838 343203142 /nfs/dbraw/zinc/20/31/42/343203142.db2.gz UHYPPSWJLIAMCN-GHMZBOCLSA-N -1 3 249.310 2.518 20 0 BFADHM CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000051330324 343256086 /nfs/dbraw/zinc/25/60/86/343256086.db2.gz QLQZFXVQPSQUOJ-LLVKDONJSA-N -1 3 237.299 2.742 20 0 BFADHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361384 343256356 /nfs/dbraw/zinc/25/63/56/343256356.db2.gz YGBKDSKJBIBXRD-QMMMGPOBSA-N -1 3 225.288 2.517 20 0 BFADHM CC(C)CN(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000051330675 343256364 /nfs/dbraw/zinc/25/63/64/343256364.db2.gz ZDNNJLOEGHNHQO-UHFFFAOYSA-N -1 3 237.299 2.598 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000035238823 343290982 /nfs/dbraw/zinc/29/09/82/343290982.db2.gz YNOYWQRSEQSBRE-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000035238821 343291173 /nfs/dbraw/zinc/29/11/73/343291173.db2.gz YNOYWQRSEQSBRE-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM O=[S@](CC1CC(F)(F)C1)c1ccc([O-])cc1 ZINC000335631598 136300344 /nfs/dbraw/zinc/30/03/44/136300344.db2.gz OOZYDUUTXWUAON-MRXNPFEDSA-N -1 3 246.278 2.545 20 0 BFADHM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000166846238 136364112 /nfs/dbraw/zinc/36/41/12/136364112.db2.gz VOBJJRLHSKFWLO-WOPDTQHZSA-N -1 3 247.338 2.899 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCCC(C)(C)F ZINC000628083963 343482873 /nfs/dbraw/zinc/48/28/73/343482873.db2.gz BMCVPSHGJITSDJ-UHFFFAOYSA-N -1 3 239.290 2.569 20 0 BFADHM CCCCN(C)C(=O)c1c(C)cccc1[O-] ZINC000623727533 343640059 /nfs/dbraw/zinc/64/00/59/343640059.db2.gz BTYVSNZZZXJPNS-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM CC(C)CON=C([O-])Nc1cc(C2CC2)ccn1 ZINC000290181249 187348210 /nfs/dbraw/zinc/34/82/10/187348210.db2.gz SXRPWKJAEBXLPX-UHFFFAOYSA-N -1 3 249.314 2.668 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cc(C2CC2)ccn1 ZINC000290181249 187348212 /nfs/dbraw/zinc/34/82/12/187348212.db2.gz SXRPWKJAEBXLPX-UHFFFAOYSA-N -1 3 249.314 2.668 20 0 BFADHM [O-]C(=NOC1CCCC1)Nc1ccccc1 ZINC000074581742 187277166 /nfs/dbraw/zinc/27/71/66/187277166.db2.gz XNNXLZOWCZBEKN-UHFFFAOYSA-N -1 3 220.272 2.682 20 0 BFADHM O=C([N-]OC1CCCC1)Nc1ccccc1 ZINC000074581742 187277168 /nfs/dbraw/zinc/27/71/68/187277168.db2.gz XNNXLZOWCZBEKN-UHFFFAOYSA-N -1 3 220.272 2.682 20 0 BFADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])C(C)C ZINC000624594008 344044462 /nfs/dbraw/zinc/04/44/62/344044462.db2.gz KPSUGZYUIJCATP-NSHDSACASA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000625786941 344074103 /nfs/dbraw/zinc/07/41/03/344074103.db2.gz RMDWMFYDYMXTRS-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CC=CCC1 ZINC000625721381 344055126 /nfs/dbraw/zinc/05/51/26/344055126.db2.gz LHQOWWUFZDYGSA-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@]1(C)CC1(C)C ZINC000628137207 344260335 /nfs/dbraw/zinc/26/03/35/344260335.db2.gz AVWXDNTVNPQVRY-AWEZNQCLSA-N -1 3 233.311 2.619 20 0 BFADHM COCCSCc1cc([O-])ccc1Cl ZINC000600615782 344337382 /nfs/dbraw/zinc/33/73/82/344337382.db2.gz JZJZATCJKRXIOR-UHFFFAOYSA-N -1 3 232.732 2.925 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@H]2C[C@H]2C)n1 ZINC000600621793 344341627 /nfs/dbraw/zinc/34/16/27/344341627.db2.gz KGLOXMKDSKZHQD-RKDXNWHRSA-N -1 3 238.356 2.634 20 0 BFADHM CN(CCC1CC1)Cc1ccsc1C(=O)[O-] ZINC000381581445 344523849 /nfs/dbraw/zinc/52/38/49/344523849.db2.gz APOQEIBOVOTDGD-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC(C)(C)C1 ZINC000625901316 344553890 /nfs/dbraw/zinc/55/38/90/344553890.db2.gz YRMGSXQWWDJQDP-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000626057502 344705717 /nfs/dbraw/zinc/70/57/17/344705717.db2.gz RKESOAXLIITIII-GFCCVEGCSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000626065898 344709902 /nfs/dbraw/zinc/70/99/02/344709902.db2.gz QIAUWHRETUOSBI-VXGBXAGGSA-N -1 3 245.322 2.573 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1ccc(F)cc1 ZINC000123340713 187295944 /nfs/dbraw/zinc/29/59/44/187295944.db2.gz NTYRENJEZLRLDG-UHFFFAOYSA-N -1 3 226.251 2.535 20 0 BFADHM CCC[C@H](C(=O)Nc1ccncc1[O-])C(C)C ZINC000153831386 344984084 /nfs/dbraw/zinc/98/40/84/344984084.db2.gz QQRXCKYXXIFWDK-JTQLQIEISA-N -1 3 236.315 2.798 20 0 BFADHM CCC[C@@H](C(=O)Nc1ccncc1[O-])C(C)C ZINC000153831503 344984116 /nfs/dbraw/zinc/98/41/16/344984116.db2.gz QQRXCKYXXIFWDK-SNVBAGLBSA-N -1 3 236.315 2.798 20 0 BFADHM CC(C)CO[N-]C(=O)Cc1cccc(Cl)c1 ZINC000135323280 187298081 /nfs/dbraw/zinc/29/80/81/187298081.db2.gz UYQSRKGIBCYSBW-UHFFFAOYSA-N -1 3 241.718 2.586 20 0 BFADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000449107794 201810825 /nfs/dbraw/zinc/81/08/25/201810825.db2.gz NYTZWXWTKIGIPP-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1cccc(C(=O)N(C)Cc2ccco2)c1[O-] ZINC000035122586 179005082 /nfs/dbraw/zinc/00/50/82/179005082.db2.gz RBUHLJMZBFCVKL-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1cccc(CC(=O)[N-]OC(C)C)c1Cl ZINC000295745010 179053177 /nfs/dbraw/zinc/05/31/77/179053177.db2.gz UAAZTZYGPCERSO-UHFFFAOYSA-N -1 3 241.718 2.647 20 0 BFADHM CN(C[C@H]1CC1(C)C)C(=O)c1ccccc1[O-] ZINC000621054932 346606878 /nfs/dbraw/zinc/60/68/78/346606878.db2.gz TVGIIJWELUDHEQ-SNVBAGLBSA-N -1 3 233.311 2.510 20 0 BFADHM O=C([N-]c1cc(F)cc(F)c1F)c1ccco1 ZINC000081566948 347105219 /nfs/dbraw/zinc/10/52/19/347105219.db2.gz UXPUCYZCJFUHLG-UHFFFAOYSA-N -1 3 241.168 2.949 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC=CCC1 ZINC000179543597 179160348 /nfs/dbraw/zinc/16/03/48/179160348.db2.gz VNXANCAZPVWHQB-LLVKDONJSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CC1(C)CC1 ZINC000336290804 179161223 /nfs/dbraw/zinc/16/12/23/179161223.db2.gz HAUOLDFTGAYHBN-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM CCCCCNC(=O)c1cccc(C)c1[O-] ZINC000019837999 347293983 /nfs/dbraw/zinc/29/39/83/347293983.db2.gz PINWLVGGILYUMM-UHFFFAOYSA-N -1 3 221.300 2.621 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)CCC1CC1 ZINC000626224602 347316965 /nfs/dbraw/zinc/31/69/65/347316965.db2.gz DGSBPYJKPOLVDP-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccoc1CN(C)C(=O)c1ccccc1[O-] ZINC000310890556 347319048 /nfs/dbraw/zinc/31/90/48/347319048.db2.gz YWDKAOZCXOYUNU-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000036624648 179280649 /nfs/dbraw/zinc/28/06/49/179280649.db2.gz SMGSEMBUHZVARK-UHFFFAOYSA-N -1 3 241.290 2.631 20 0 BFADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])c(C)[nH]1 ZINC000642200179 362914985 /nfs/dbraw/zinc/91/49/85/362914985.db2.gz YQSOVLPXXCTIOE-UHFFFAOYSA-N -1 3 244.294 2.898 20 0 BFADHM CCc1cc(C(=O)N2CC3CC2(C)C3)ccc1[O-] ZINC000621217192 348483783 /nfs/dbraw/zinc/48/37/83/348483783.db2.gz NAEOXLRIKBYORA-UHFFFAOYSA-N -1 3 245.322 2.579 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421746748 192378146 /nfs/dbraw/zinc/37/81/46/192378146.db2.gz FAIYALMLSPASLJ-AXFHLTTASA-N -1 3 231.295 2.767 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C)CC2)n1 ZINC000248770318 349148781 /nfs/dbraw/zinc/14/87/81/349148781.db2.gz SOIPNVABEJHFNR-ZYHUDNBSSA-N -1 3 249.358 2.674 20 0 BFADHM CCN(Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000071264720 350094944 /nfs/dbraw/zinc/09/49/44/350094944.db2.gz LZVITLIBLLDBOZ-UHFFFAOYSA-N -1 3 237.274 2.508 20 0 BFADHM Cc1occc1CN(C)CCCCCC(=O)[O-] ZINC000071286357 350097240 /nfs/dbraw/zinc/09/72/40/350097240.db2.gz KVVDWGDSECMRED-UHFFFAOYSA-N -1 3 239.315 2.665 20 0 BFADHM CC1(CC(=O)Nc2ccc([O-])cc2F)CC1 ZINC000335764880 535110057 /nfs/dbraw/zinc/11/00/57/535110057.db2.gz FYCBTMXIRNEACT-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@]23C[C@H]2CCC3)c1 ZINC000617212425 350381962 /nfs/dbraw/zinc/38/19/62/350381962.db2.gz XWEROIVQAGFXNO-IAQYHMDHSA-N -1 3 245.322 2.627 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@@]23C[C@@H]2CCC3)c1 ZINC000617212426 350381981 /nfs/dbraw/zinc/38/19/81/350381981.db2.gz XWEROIVQAGFXNO-NHYWBVRUSA-N -1 3 245.322 2.627 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2F)n1 ZINC000339115075 350735014 /nfs/dbraw/zinc/73/50/14/350735014.db2.gz KHIXUEAIZAMONB-SREVYHEPSA-N -1 3 230.242 2.800 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])C12CC(C1)C2 ZINC000626277487 350778779 /nfs/dbraw/zinc/77/87/79/350778779.db2.gz ABPDOEHUTYBQRX-UHFFFAOYSA-N -1 3 237.686 2.784 20 0 BFADHM CCC[C@H](C(=O)[O-])N(C)Cc1ccc(C)s1 ZINC000571648105 351383246 /nfs/dbraw/zinc/38/32/46/351383246.db2.gz BXRCSYHQRWITFO-LLVKDONJSA-N -1 3 241.356 2.742 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613329850 363110410 /nfs/dbraw/zinc/11/04/10/363110410.db2.gz AWPICSZNLFJHOX-JMJZKYOTSA-N -1 3 249.285 2.906 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613329849 363110763 /nfs/dbraw/zinc/11/07/63/363110763.db2.gz AWPICSZNLFJHOX-IEBDPFPHSA-N -1 3 249.285 2.906 20 0 BFADHM CCN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000295406962 352411430 /nfs/dbraw/zinc/41/14/30/352411430.db2.gz RGOBQZCJXKFGJH-UHFFFAOYSA-N -1 3 227.254 2.655 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)C[C@@H]2C)n1 ZINC000412044649 191251356 /nfs/dbraw/zinc/25/13/56/191251356.db2.gz OZJRLPOUYZZOTD-WDEREUQCSA-N -1 3 249.358 2.672 20 0 BFADHM C[C@@H]1C[C@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000334355914 352995540 /nfs/dbraw/zinc/99/55/40/352995540.db2.gz LSWDZMUWKOCLJU-OCAPTIKFSA-N -1 3 239.702 2.669 20 0 BFADHM C[C@@H](CC(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000412175531 191266744 /nfs/dbraw/zinc/26/67/44/191266744.db2.gz ZJUQKKMGWKLWDK-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM CC(C)(CNC(=O)c1cccc([O-])c1)C1CCC1 ZINC000296827128 188268848 /nfs/dbraw/zinc/26/88/48/188268848.db2.gz CUTITNLQGIRKIL-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM CCC1(NC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000294468521 188269707 /nfs/dbraw/zinc/26/97/07/188269707.db2.gz VKAWWCHYNXRVGU-UHFFFAOYSA-N -1 3 249.310 2.550 20 0 BFADHM CC(C)[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000036788096 188286531 /nfs/dbraw/zinc/28/65/31/188286531.db2.gz WQFFFVIMJLFBDU-JTQLQIEISA-N -1 3 221.300 2.509 20 0 BFADHM O=C(NCC1(C2CC2)CCC1)c1ccccc1[O-] ZINC000162632987 202006594 /nfs/dbraw/zinc/00/65/94/202006594.db2.gz MCILJJNLYHLIQT-UHFFFAOYSA-N -1 3 245.322 2.702 20 0 BFADHM Cc1csc2[n-]c(CC(F)(F)F)nc(=O)c12 ZINC000334596099 354229236 /nfs/dbraw/zinc/22/92/36/354229236.db2.gz ANEPXUVOSFIPCA-UHFFFAOYSA-N -1 3 248.229 2.810 20 0 BFADHM C[C@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@H]1F ZINC000335097234 354637677 /nfs/dbraw/zinc/63/76/77/354637677.db2.gz JIHZZMJVUGTVHL-KOLCDFICSA-N -1 3 243.665 2.732 20 0 BFADHM C[C@H]1CN(C(=O)c2cccc([O-])c2)CC(C)(C)C1 ZINC000345425409 354654740 /nfs/dbraw/zinc/65/47/40/354654740.db2.gz OMLTYZQAMAIUNL-LLVKDONJSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@]1(C(=O)Nc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC000335113378 354701003 /nfs/dbraw/zinc/70/10/03/354701003.db2.gz RHXXWUWVICODLM-ONGXEEELSA-N -1 3 243.665 2.732 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C)(C)C[C@H]2C)c1 ZINC000412761729 191311296 /nfs/dbraw/zinc/31/12/96/191311296.db2.gz IQYLNZBWCUTPCS-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345938246 354814386 /nfs/dbraw/zinc/81/43/86/354814386.db2.gz LYXAJDCTUDYOCK-PSASIEDQSA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@H]2CC[C@@H](C)C2)n1 ZINC000345990322 354833813 /nfs/dbraw/zinc/83/38/13/354833813.db2.gz PLUDJZZJGRIGRK-KOLCDFICSA-N -1 3 248.326 2.860 20 0 BFADHM CC(C)(C)C(C)(C)C(=O)Nc1ncccc1[O-] ZINC000346320760 354896078 /nfs/dbraw/zinc/89/60/78/354896078.db2.gz ZERFCUXGOUJEKE-UHFFFAOYSA-N -1 3 236.315 2.798 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@]12C[C@H]1CCC2 ZINC000335168423 354929563 /nfs/dbraw/zinc/92/95/63/354929563.db2.gz DZQMDEKXYXYMEB-AMIZOPFISA-N -1 3 235.258 2.660 20 0 BFADHM C[C@@H]1C[C@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000335183758 355081744 /nfs/dbraw/zinc/08/17/44/355081744.db2.gz FFSABGAKLREZPD-SCZZXKLOSA-N -1 3 230.267 2.641 20 0 BFADHM C[C@H]1C[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000335185377 355084213 /nfs/dbraw/zinc/08/42/13/355084213.db2.gz CFYCHFBHBUDRMA-JGVFFNPUSA-N -1 3 223.247 2.516 20 0 BFADHM O=C([N-]c1ccsc1Cl)c1csnn1 ZINC000335794601 355449395 /nfs/dbraw/zinc/44/93/95/355449395.db2.gz WUVYRPIETZDWSB-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM C/C(=C/c1cc([O-])cc(F)c1)c1cnccn1 ZINC000335848060 355592522 /nfs/dbraw/zinc/59/25/22/355592522.db2.gz FEZSNLSQUFHUEV-WTKPLQERSA-N -1 3 230.242 2.882 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cc(C2CC2)no1 ZINC000335836446 355564198 /nfs/dbraw/zinc/56/41/98/355564198.db2.gz XZOQVGVLXMDKCY-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM [O-]c1cc(F)cc(CN2C[C@@H]3CCC[C@@H]32)c1 ZINC000335886435 355676618 /nfs/dbraw/zinc/67/66/18/355676618.db2.gz JCDPULUYKYSEPA-GWCFXTLKSA-N -1 3 221.275 2.516 20 0 BFADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])C(F)F ZINC000336060038 134067713 /nfs/dbraw/zinc/06/77/13/134067713.db2.gz HADKZGPBIYTCNE-UHFFFAOYSA-N -1 3 247.216 2.761 20 0 BFADHM CC[C@H](C)CCNC(=O)c1ccccc1[O-] ZINC000617634248 356218347 /nfs/dbraw/zinc/21/83/47/356218347.db2.gz SBSQMVOHDFANMY-JTQLQIEISA-N -1 3 221.300 2.558 20 0 BFADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)C[C@H]2C[C@H]2C1 ZINC000336158676 134107086 /nfs/dbraw/zinc/10/70/86/134107086.db2.gz YARHIHYLFDWBNS-QRJZZWFUSA-N -1 3 249.285 2.906 20 0 BFADHM [O-]c1ccc(-c2noc([C@H]3C[C@H]3C3CC3)n2)cc1 ZINC000350566296 366298385 /nfs/dbraw/zinc/29/83/85/366298385.db2.gz NRSJANVSVTWOJP-RYUDHWBXSA-N -1 3 242.278 2.956 20 0 BFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cc(F)ccc1[O-] ZINC000450044926 202071333 /nfs/dbraw/zinc/07/13/33/202071333.db2.gz OOANUDFVRZVIRZ-YWVKMMECSA-N -1 3 249.285 2.906 20 0 BFADHM CC(C)=CC(=O)N1CCCc2cccc([O-])c21 ZINC000063063724 535341886 /nfs/dbraw/zinc/34/18/86/535341886.db2.gz VHSYFIHCWWSZKA-UHFFFAOYSA-N -1 3 231.295 2.638 20 0 BFADHM CC[C@H](NC(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000324066140 356727029 /nfs/dbraw/zinc/72/70/29/356727029.db2.gz FMUDMHARTCXSEN-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000324104087 356740754 /nfs/dbraw/zinc/74/07/54/356740754.db2.gz MAEALMHESJLDBU-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@H]1C ZINC000623396917 357023678 /nfs/dbraw/zinc/02/36/78/357023678.db2.gz JIEMVQBQIHTPPV-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM CC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000011639227 357441313 /nfs/dbraw/zinc/44/13/13/357441313.db2.gz OKHKYXDZZOREDZ-LLVKDONJSA-N -1 3 233.311 2.797 20 0 BFADHM CCC[C@@H](C(=O)[O-])N(CC)Cc1cccs1 ZINC000216613679 357447183 /nfs/dbraw/zinc/44/71/83/357447183.db2.gz AJMYADJECWOAFZ-NSHDSACASA-N -1 3 241.356 2.823 20 0 BFADHM C[C@@H]1CC[C@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000230428713 357524174 /nfs/dbraw/zinc/52/41/74/357524174.db2.gz YCJXEFFJKSLLOA-MNOVXSKESA-N -1 3 233.311 2.558 20 0 BFADHM CC[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000189798181 357661555 /nfs/dbraw/zinc/66/15/55/357661555.db2.gz BYFRXLXHCGZJDG-QMMMGPOBSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@@H]1CC[C@@H](c2noc(-c3ccccc3[O-])n2)O1 ZINC000398336276 357883913 /nfs/dbraw/zinc/88/39/13/357883913.db2.gz IFXVKEPUSWNAJO-KCJUWKMLSA-N -1 3 246.266 2.682 20 0 BFADHM CC[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000035433027 357992255 /nfs/dbraw/zinc/99/22/55/357992255.db2.gz YBTRCHSLKJJWQR-JTQLQIEISA-N -1 3 237.299 2.742 20 0 BFADHM CCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000036791167 358052688 /nfs/dbraw/zinc/05/26/88/358052688.db2.gz OXSUTEYECIWFMM-SECBINFHSA-N -1 3 225.288 2.598 20 0 BFADHM CCC[C@H](C)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812888 358052771 /nfs/dbraw/zinc/05/27/71/358052771.db2.gz VVUZCQUPTPUAMH-JTQLQIEISA-N -1 3 239.315 2.907 20 0 BFADHM Cc1ncnc(C)c1-c1ccc([O-])cc1F ZINC000584648312 358302627 /nfs/dbraw/zinc/30/26/27/358302627.db2.gz FLTUPRCAWDPMKE-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM CC[C@@H](C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000136046317 358861979 /nfs/dbraw/zinc/86/19/79/358861979.db2.gz KRXYEUGKEUXKTB-MRVPVSSYSA-N -1 3 241.718 2.503 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccncc1Cl ZINC000072700401 359088488 /nfs/dbraw/zinc/08/84/88/359088488.db2.gz FKVFZOCDLSDBSG-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C(c1cccc([O-])c1)N(CC1CC1)CC1CC1 ZINC000070505945 359058476 /nfs/dbraw/zinc/05/84/76/359058476.db2.gz KVSGEZCTYVVNIY-UHFFFAOYSA-N -1 3 245.322 2.654 20 0 BFADHM CC[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247701192 359242305 /nfs/dbraw/zinc/24/23/05/359242305.db2.gz UROIQQBCPBPILB-VXGBXAGGSA-N -1 3 249.358 2.674 20 0 BFADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ncccc1[O-] ZINC000450802976 202270297 /nfs/dbraw/zinc/27/02/97/202270297.db2.gz VZPOPGMBVFIBBF-RNCFNFMXSA-N -1 3 234.299 2.552 20 0 BFADHM CC1(C)CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000613026185 360293489 /nfs/dbraw/zinc/29/34/89/360293489.db2.gz FJSSVEVXXXDOCN-VIFPVBQESA-N -1 3 237.274 2.906 20 0 BFADHM CCc1cc(C(=O)N(C2CC2)C2CC2)ccc1[O-] ZINC000628814676 360678759 /nfs/dbraw/zinc/67/87/59/360678759.db2.gz LAOUNPJCCHQWHA-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM CCCN(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000064054435 360903210 /nfs/dbraw/zinc/90/32/10/360903210.db2.gz UXMCKHWBYHDLFI-UHFFFAOYSA-N -1 3 247.338 2.753 20 0 BFADHM CC(C)=CCCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000629365738 361020469 /nfs/dbraw/zinc/02/04/69/361020469.db2.gz BVGLDKPHXAEMHL-ZDUSSCGKSA-N -1 3 249.310 2.620 20 0 BFADHM CC(C)=CCN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629373054 361023879 /nfs/dbraw/zinc/02/38/79/361023879.db2.gz JGMGFNPGPHFZCC-AVGNSLFASA-N -1 3 237.343 2.528 20 0 BFADHM Cc1nocc1[N-]C(=O)c1cnc(C2CC2)s1 ZINC000640485192 361277911 /nfs/dbraw/zinc/27/79/11/361277911.db2.gz HFXXAXYQFGNYQU-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1nocc1[N-]C(=O)c1oc(C(C)C)nc1C ZINC000640488884 361281283 /nfs/dbraw/zinc/28/12/83/361281283.db2.gz ZBSOSHMSVXTONC-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM CCc1cc(C(=O)[N-]c2conc2C)oc1CC ZINC000640483752 361259053 /nfs/dbraw/zinc/25/90/53/361259053.db2.gz OENUJRTYJUADGS-UHFFFAOYSA-N -1 3 248.282 2.953 20 0 BFADHM Cc1cccc(C)c1C(=O)Nc1ncccc1[O-] ZINC000181000748 366779244 /nfs/dbraw/zinc/77/92/44/366779244.db2.gz YLWCIZJPYZJCJD-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@]12CCCC[C@H]1CN2C(=O)c1cccc([O-])c1 ZINC000629611224 361501142 /nfs/dbraw/zinc/50/11/42/361501142.db2.gz VEYCJESPXCOTAQ-WFASDCNBSA-N -1 3 245.322 2.797 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C)c([O-])c1 ZINC000436566785 201332263 /nfs/dbraw/zinc/33/22/63/201332263.db2.gz QSFGWYKOPGCVRD-BXKDBHETSA-N -1 3 233.311 2.654 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC)c1 ZINC000436545340 201330551 /nfs/dbraw/zinc/33/05/51/201330551.db2.gz NLMFAMIXHGOHNZ-LBPRGKRZSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2CC)c1 ZINC000436545339 201332237 /nfs/dbraw/zinc/33/22/37/201332237.db2.gz NLMFAMIXHGOHNZ-GFCCVEGCSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1cc(C(=O)N(C)[C@H](C)CC)ccc1[O-] ZINC000436692795 201333125 /nfs/dbraw/zinc/33/31/25/201333125.db2.gz ZYJYETVSMSNXJJ-SNVBAGLBSA-N -1 3 235.327 2.825 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1C ZINC000436814781 201337800 /nfs/dbraw/zinc/33/78/00/201337800.db2.gz LVLPODJXGSSWOT-LBPRGKRZSA-N -1 3 247.338 2.880 20 0 BFADHM CC(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000436901171 201341800 /nfs/dbraw/zinc/34/18/00/201341800.db2.gz ADVQIZMBYSNHMR-GFCCVEGCSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@H]1CC[C@@H]1NCc1cccc([O-])c1Cl ZINC000328236626 363862737 /nfs/dbraw/zinc/86/27/37/363862737.db2.gz PYWSGWPPMJMYTJ-WPRPVWTQSA-N -1 3 225.719 2.934 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCC1(C)C ZINC000622122799 370723617 /nfs/dbraw/zinc/72/36/17/370723617.db2.gz TWXNUAAEYZAVNS-SNVBAGLBSA-N -1 3 249.358 2.638 20 0 BFADHM CCc1cccc(C(=O)N(C)CC2CCC2)c1[O-] ZINC000081780636 364549167 /nfs/dbraw/zinc/54/91/67/364549167.db2.gz OZUFDOMAABLPBH-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1oc([C@@H](C)N2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000574047111 364975658 /nfs/dbraw/zinc/97/56/58/364975658.db2.gz SWGWPEBCFQAIMZ-DTWKUNHWSA-N -1 3 237.299 2.832 20 0 BFADHM CCN(CC(=O)[O-])Cc1c(C)cccc1Cl ZINC000574524825 365083207 /nfs/dbraw/zinc/08/32/07/365083207.db2.gz IQZATIUTOVSHEQ-UHFFFAOYSA-N -1 3 241.718 2.555 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c([O-])c1C ZINC000444473986 193048534 /nfs/dbraw/zinc/04/85/34/193048534.db2.gz DIIXBCMBFYYIQJ-BXKDBHETSA-N -1 3 247.338 2.927 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000575323537 365289719 /nfs/dbraw/zinc/28/97/19/365289719.db2.gz YOWKCQBEPAEVNA-SNVBAGLBSA-N -1 3 249.310 2.742 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1C1CC1 ZINC000183285511 367010994 /nfs/dbraw/zinc/01/09/94/367010994.db2.gz VVWKZGLISCQNKB-UWVGGRQHSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1cccnc1NCc1cc([O-])cc(F)c1 ZINC000185476240 367132774 /nfs/dbraw/zinc/13/27/74/367132774.db2.gz VNPZQOSMOLHFNU-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM Cc1cc(CN2[C@H](C)CC[C@H]2C)oc1C(=O)[O-] ZINC000581017254 367237345 /nfs/dbraw/zinc/23/73/45/367237345.db2.gz QKBIBQNMMOGAFC-NXEZZACHSA-N -1 3 237.299 2.659 20 0 BFADHM CCN(C(=O)c1cccc([O-])c1)[C@H](C)C(C)C ZINC000581200904 367293144 /nfs/dbraw/zinc/29/31/44/367293144.db2.gz SWQKVRPLIYJRII-LLVKDONJSA-N -1 3 235.327 2.899 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\c1cccc(Cl)c1 ZINC000382211334 367498463 /nfs/dbraw/zinc/49/84/63/367498463.db2.gz WJIVNSTZOHBJST-SREVYHEPSA-N -1 3 239.702 2.809 20 0 BFADHM CCC[C@@H](C(=O)[O-])N(C)Cc1sccc1C ZINC000383721437 367650343 /nfs/dbraw/zinc/65/03/43/367650343.db2.gz KDHAQYFBNSGVNW-JTQLQIEISA-N -1 3 241.356 2.742 20 0 BFADHM Cc1ccoc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000021292992 367977405 /nfs/dbraw/zinc/97/74/05/367977405.db2.gz IXQRPDNVKOCAML-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CC23CCCC3)c1[O-] ZINC000387346857 368157930 /nfs/dbraw/zinc/15/79/30/368157930.db2.gz USHLZUHECFBZNV-LBPRGKRZSA-N -1 3 245.322 2.763 20 0 BFADHM CCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000064054413 368600442 /nfs/dbraw/zinc/60/04/42/368600442.db2.gz HIJVTMXNEZNDGX-UHFFFAOYSA-N -1 3 235.327 2.998 20 0 BFADHM CCc1ccc(C(=O)NCC2(CC)CC2)c([O-])c1 ZINC000622417220 370908970 /nfs/dbraw/zinc/90/89/70/370908970.db2.gz ZPEXVNQNWIKQFJ-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCC2(C)CCC2)c1 ZINC000622416603 370909096 /nfs/dbraw/zinc/90/90/96/370909096.db2.gz HDBWJGHLMKLSLQ-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CC(C)c1cc(C(=O)[N-]c2nccs2)on1 ZINC000072641773 368776881 /nfs/dbraw/zinc/77/68/81/368776881.db2.gz AEKYHQLLNKWHJD-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1ccnnc1 ZINC000113567460 368895730 /nfs/dbraw/zinc/89/57/30/368895730.db2.gz BMERCUZCQCVSNY-UHFFFAOYSA-N -1 3 206.632 2.503 20 0 BFADHM C[C@@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000088705771 368924677 /nfs/dbraw/zinc/92/46/77/368924677.db2.gz CROGTDYTOSSSLV-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM CC(C)=CCOc1cc2occ([O-])c2c(C)c1 ZINC000642609591 368931335 /nfs/dbraw/zinc/93/13/35/368931335.db2.gz UAEWKHRWKMTGTK-UHFFFAOYSA-N -1 3 232.279 2.915 20 0 BFADHM Cc1cc(OCC(C)C)cc2occ([O-])c21 ZINC000642609964 368933663 /nfs/dbraw/zinc/93/36/63/368933663.db2.gz IPIREHSWONZBIR-UHFFFAOYSA-N -1 3 220.268 2.605 20 0 BFADHM CC(NC(=O)c1ccccc1[O-])(C1CC1)C1CC1 ZINC000620028841 369674418 /nfs/dbraw/zinc/67/44/18/369674418.db2.gz AFDYOWDFXAAVEC-UHFFFAOYSA-N -1 3 245.322 2.701 20 0 BFADHM CC(C)CC1(NC(=O)c2cccc([O-])c2)CC1 ZINC000620281398 369796925 /nfs/dbraw/zinc/79/69/25/369796925.db2.gz SFNCYJSSTDPBPJ-UHFFFAOYSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@H]2C)c1[O-] ZINC000112640857 370337720 /nfs/dbraw/zinc/33/77/20/370337720.db2.gz JJVCXKAORXJZCJ-MUWHJKNJSA-N -1 3 239.702 2.949 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000627777773 371969759 /nfs/dbraw/zinc/96/97/59/371969759.db2.gz PBTAWIFYLRMAEV-QJPTWQEYSA-N -1 3 247.338 2.817 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(C)(C)C[C@H]1C ZINC000627757873 371947055 /nfs/dbraw/zinc/94/70/55/371947055.db2.gz RPSRQTHBRLJNPN-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(NCC1=CCCCC1)c1cccc([O-])c1 ZINC000296040391 182134442 /nfs/dbraw/zinc/13/44/42/182134442.db2.gz MIGBIEQEHGIJPX-UHFFFAOYSA-N -1 3 231.295 2.622 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CCCC23CC3)ccc1[O-] ZINC000633774520 373742584 /nfs/dbraw/zinc/74/25/84/373742584.db2.gz DMHIWKIMXVLVKL-ZDUSSCGKSA-N -1 3 245.322 2.763 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@H]1CCC(C)(C)C1 ZINC000424088184 206028506 /nfs/dbraw/zinc/02/85/06/206028506.db2.gz GKOXINZSCXTLFT-QMMMGPOBSA-N -1 3 241.360 2.674 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000336238167 182380006 /nfs/dbraw/zinc/38/00/06/182380006.db2.gz ZKXZBNVOMIXAIQ-RNFRBKRXSA-N -1 3 245.200 2.529 20 0 BFADHM O=C(Nc1ccccc1[O-])C(C1CC1)C1CC1 ZINC000156187907 182380466 /nfs/dbraw/zinc/38/04/66/182380466.db2.gz ZTCSZIZHDBFLJC-UHFFFAOYSA-N -1 3 231.295 2.767 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1c1ccco1 ZINC000049398510 182380511 /nfs/dbraw/zinc/38/05/11/182380511.db2.gz SFRGNPXKUXFUDY-NXEZZACHSA-N -1 3 243.262 2.727 20 0 BFADHM CCCN(CC(=O)[O-])c1ccnc2ccccc21 ZINC000041719925 169099344 /nfs/dbraw/zinc/09/93/44/169099344.db2.gz TWUTVXLXJZSXIN-UHFFFAOYSA-N -1 3 244.294 2.536 20 0 BFADHM CCCN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000037023385 169117301 /nfs/dbraw/zinc/11/73/01/169117301.db2.gz TWSUSABXIGZTHX-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM [O-]c1ccc(-c2noc([C@@H]3CC3(F)F)n2)cc1 ZINC000296061518 183266053 /nfs/dbraw/zinc/26/60/53/183266053.db2.gz XFELXPNENDZLJZ-QMMMGPOBSA-N -1 3 238.193 2.565 20 0 BFADHM CCCN(CC1CC1)C(=O)c1cccc(C)c1[O-] ZINC000042208478 169136083 /nfs/dbraw/zinc/13/60/83/169136083.db2.gz WFTWBASBBBSUSE-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1cc(F)cc(-c2cccc(O)c2)c1 ZINC000065339958 183285809 /nfs/dbraw/zinc/28/58/09/183285809.db2.gz XXLDHOGTRAVXJP-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cccc(CNCC2CC2)c1Cl ZINC000294221189 183290195 /nfs/dbraw/zinc/29/01/95/183290195.db2.gz SIEZGRBKZNLWQD-UHFFFAOYSA-N -1 3 211.692 2.545 20 0 BFADHM [O-]c1cccc(CNCc2ccoc2)c1Cl ZINC000328477727 183291216 /nfs/dbraw/zinc/29/12/16/183291216.db2.gz OZGBXMXUTIDHPD-UHFFFAOYSA-N -1 3 237.686 2.928 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2ccncc2)no1 ZINC000040542120 183299474 /nfs/dbraw/zinc/29/94/74/183299474.db2.gz IVLFWLCSJDMVST-UHFFFAOYSA-N -1 3 239.234 2.504 20 0 BFADHM [O-]c1cncc(-c2cc(F)cc(F)c2)c1 ZINC000065339078 183304753 /nfs/dbraw/zinc/30/47/53/183304753.db2.gz RXGDHJJXWCPFQA-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000036791573 169364368 /nfs/dbraw/zinc/36/43/68/169364368.db2.gz HGCUKWXTWLSWQP-SNVBAGLBSA-N -1 3 221.300 2.653 20 0 BFADHM CCC[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291433092 169356533 /nfs/dbraw/zinc/35/65/33/169356533.db2.gz AOQJNIDNRDARHU-OTQAPUNGSA-N -1 3 219.712 2.613 20 0 BFADHM Cc1ccc(-c2cc(C(=O)OC(C)C)[n-]n2)o1 ZINC000194065611 259614612 /nfs/dbraw/zinc/61/46/12/259614612.db2.gz PMPSUKAHOFELCX-UHFFFAOYSA-N -1 3 234.255 2.543 20 0 BFADHM Cc1ccc(-c2cc(C(=O)OC(C)C)n[n-]2)o1 ZINC000194065611 259614614 /nfs/dbraw/zinc/61/46/14/259614614.db2.gz PMPSUKAHOFELCX-UHFFFAOYSA-N -1 3 234.255 2.543 20 0 BFADHM Cc1cc(C(=O)NCCC(C)(C)C)ccc1[O-] ZINC000227018523 134373597 /nfs/dbraw/zinc/37/35/97/134373597.db2.gz RXTULHBKVMLDQV-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000035239245 383844737 /nfs/dbraw/zinc/84/47/37/383844737.db2.gz LZBANFXYPIBTNW-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM CCO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000070273352 383907325 /nfs/dbraw/zinc/90/73/25/383907325.db2.gz FEOOWDINNUDRPP-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM Cc1ccsc1CNCc1nc(C)ccc1[O-] ZINC000112716483 383944107 /nfs/dbraw/zinc/94/41/07/383944107.db2.gz XXUUIGKXSZQKKU-UHFFFAOYSA-N -1 3 248.351 2.755 20 0 BFADHM CCN(CC1CC1)C(=O)c1cccc(C)c1[O-] ZINC000069238639 384034676 /nfs/dbraw/zinc/03/46/76/384034676.db2.gz AVEOANUUKGYRSY-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CCc1cc(=O)[n-]c(CSCCC2CC2)n1 ZINC000358650740 384041674 /nfs/dbraw/zinc/04/16/74/384041674.db2.gz ABMUBFRGEGHWAY-UHFFFAOYSA-N -1 3 238.356 2.778 20 0 BFADHM CC(C)CC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000070185371 384086253 /nfs/dbraw/zinc/08/62/53/384086253.db2.gz UKBNQPFEXYWGTF-LLVKDONJSA-N -1 3 235.327 2.947 20 0 BFADHM CC1(C(=O)[N-]OCc2ccccc2)CCCC1 ZINC000069637920 384055605 /nfs/dbraw/zinc/05/56/05/384055605.db2.gz WTNCRAJEIFVKHK-UHFFFAOYSA-N -1 3 233.311 2.815 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)C(C)C)c1[O-] ZINC000116978771 384160428 /nfs/dbraw/zinc/16/04/28/384160428.db2.gz SUUOAYZHLNYUPH-UHFFFAOYSA-N -1 3 227.691 2.949 20 0 BFADHM COC(C)(C)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000092141678 384164657 /nfs/dbraw/zinc/16/46/57/384164657.db2.gz WCMOPLWXCQBHPL-UHFFFAOYSA-N -1 3 248.282 2.632 20 0 BFADHM COC(C)(C)c1noc(-c2cccc(C)c2[O-])n1 ZINC000092141672 384164836 /nfs/dbraw/zinc/16/48/36/384164836.db2.gz VXWDHUSKAOGCEU-UHFFFAOYSA-N -1 3 248.282 2.632 20 0 BFADHM CCO[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000071964624 384189899 /nfs/dbraw/zinc/18/98/99/384189899.db2.gz RKKDHGARACYSCD-UHFFFAOYSA-N -1 3 243.306 2.840 20 0 BFADHM Cc1ccc(F)c(NC([O-])=NOCC(C)C)c1 ZINC000158264608 384214058 /nfs/dbraw/zinc/21/40/58/384214058.db2.gz JNEVFZZBNHNYAO-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM Cc1ccc(F)c(NC(=O)[N-]OCC(C)C)c1 ZINC000158264608 384214066 /nfs/dbraw/zinc/21/40/66/384214066.db2.gz JNEVFZZBNHNYAO-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000334419125 384495254 /nfs/dbraw/zinc/49/52/54/384495254.db2.gz ZBCLDRKREGVHQK-JQWIXIFHSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000334419123 384496197 /nfs/dbraw/zinc/49/61/97/384496197.db2.gz ZBCLDRKREGVHQK-CMPLNLGQSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1ccc(NC(=O)CC2(C)CC2)c([O-])c1 ZINC000335720099 384491221 /nfs/dbraw/zinc/49/12/21/384491221.db2.gz VKZWOETUPWUGDQ-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM Cc1cc(C(=O)N2CCC(C)(C)C2)ccc1[O-] ZINC000226718164 384517893 /nfs/dbraw/zinc/51/78/93/384517893.db2.gz AYRWGARYQBXAKO-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)NC(C2CC2)C2CC2)c1[O-] ZINC000042237527 384635060 /nfs/dbraw/zinc/63/50/60/384635060.db2.gz QYCKRZQFJTUVST-UHFFFAOYSA-N -1 3 245.322 2.619 20 0 BFADHM [O-]c1cccc(CN[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000335662664 384822423 /nfs/dbraw/zinc/82/24/23/384822423.db2.gz QHPBWQBRSKKIRI-JGPRNRPPSA-N -1 3 237.730 2.934 20 0 BFADHM CC(C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186336772 384835564 /nfs/dbraw/zinc/83/55/64/384835564.db2.gz GQUPPBSIEJMUIC-JTQLQIEISA-N -1 3 233.311 2.888 20 0 BFADHM CN(Cc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC000042437679 384794636 /nfs/dbraw/zinc/79/46/36/384794636.db2.gz MSZFMVBIDOYGMO-UHFFFAOYSA-N -1 3 241.718 2.635 20 0 BFADHM CCc1ccc(CCC(=O)[N-]OC(C)C)cc1 ZINC000294121950 384798996 /nfs/dbraw/zinc/79/89/96/384798996.db2.gz OAPMVZIBDQRKJF-UHFFFAOYSA-N -1 3 235.327 2.638 20 0 BFADHM Cc1ccc(NC(=O)[C@H](C)C2CC2)c([O-])c1 ZINC000148098851 384870653 /nfs/dbraw/zinc/87/06/53/384870653.db2.gz RLRRWORKDGYAGM-SECBINFHSA-N -1 3 219.284 2.685 20 0 BFADHM CCO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000128969810 385093632 /nfs/dbraw/zinc/09/36/32/385093632.db2.gz APOMKJNGGWQQCR-NSHDSACASA-N -1 3 221.300 2.638 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C)CC2)c1 ZINC000062927063 385196747 /nfs/dbraw/zinc/19/67/47/385196747.db2.gz VVKPSDDVCVAXLK-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)(C)/C=C/C(=O)Nc1ccccc1[O-] ZINC000109984268 385199581 /nfs/dbraw/zinc/19/95/81/385199581.db2.gz IZBYBCDXDUOILA-CMDGGOBGSA-N -1 3 219.284 2.933 20 0 BFADHM CC[C@@H](C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000189555896 385164929 /nfs/dbraw/zinc/16/49/29/385164929.db2.gz QHTJUIJFRLNLHQ-SECBINFHSA-N -1 3 239.290 2.584 20 0 BFADHM CC[C@H]1CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000131095441 385308187 /nfs/dbraw/zinc/30/81/87/385308187.db2.gz JCIOUVXPCSSPDT-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM CN(CC1CCCC1)C(=O)c1cccc([O-])c1 ZINC000110846084 385263305 /nfs/dbraw/zinc/26/33/05/385263305.db2.gz NHZWNLLYYFGASI-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM CCC[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000360769880 385390111 /nfs/dbraw/zinc/39/01/11/385390111.db2.gz SAYTYZJQCAWKTC-SCZZXKLOSA-N -1 3 237.274 2.906 20 0 BFADHM CSCCCCC(=O)Nc1ccccc1[O-] ZINC000154904715 385365376 /nfs/dbraw/zinc/36/53/76/385365376.db2.gz XLBPWTVLSCFDKV-UHFFFAOYSA-N -1 3 239.340 2.864 20 0 BFADHM CCO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000155463726 385391852 /nfs/dbraw/zinc/39/18/52/385391852.db2.gz RHKGDPBCCYILKT-UXBLZVDNSA-N -1 3 219.284 2.548 20 0 BFADHM CC[C@@H](CC(=O)[N-]OC)c1ccc(C)cc1 ZINC000155611428 385398587 /nfs/dbraw/zinc/39/85/87/385398587.db2.gz WARNLDRKTOSGKA-NSHDSACASA-N -1 3 221.300 2.556 20 0 BFADHM CCO[N-]C(=O)Nc1ccccc1C(C)C ZINC000158102877 385549848 /nfs/dbraw/zinc/54/98/48/385549848.db2.gz MKFYIHKOMACWIZ-UHFFFAOYSA-N -1 3 222.288 2.883 20 0 BFADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1C ZINC000158122173 385550004 /nfs/dbraw/zinc/55/00/04/385550004.db2.gz CRRKXSJBMSIRAJ-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM Cc1ccc([O-])c(-c2nc(C(C)C)no2)c1 ZINC000082644401 385625317 /nfs/dbraw/zinc/62/53/17/385625317.db2.gz MEWGALPHQQEOJK-UHFFFAOYSA-N -1 3 218.256 2.874 20 0 BFADHM [O-]c1cc(F)cc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC000414514047 385635071 /nfs/dbraw/zinc/63/50/71/385635071.db2.gz RCBJFQPKNLCUJZ-CHWSQXEVSA-N -1 3 241.281 2.902 20 0 BFADHM CCc1ccc(C(=O)N[C@H](C)CC2CC2)c([O-])c1 ZINC000436820721 385613105 /nfs/dbraw/zinc/61/31/05/385613105.db2.gz MNUKEUXIVKRXLP-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM CC/C(C)=C/C(=O)Nc1ccccc1[O-] ZINC000253467239 385678325 /nfs/dbraw/zinc/67/83/25/385678325.db2.gz YVFORHGCBWDRPS-CMDGGOBGSA-N -1 3 205.257 2.687 20 0 BFADHM CCO[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000182865537 385714137 /nfs/dbraw/zinc/71/41/37/385714137.db2.gz QHSYRZRYDZMZJV-UHFFFAOYSA-N -1 3 222.288 2.685 20 0 BFADHM Cc1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000281433116 385669434 /nfs/dbraw/zinc/66/94/34/385669434.db2.gz JIXRRDMJNMTCBS-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccccc1[O-] ZINC000185481749 385728372 /nfs/dbraw/zinc/72/83/72/385728372.db2.gz WSSFDLNIAPAEGW-JQWIXIFHSA-N -1 3 233.311 2.653 20 0 BFADHM CC(C)(C)CNCc1c(F)ccc([O-])c1F ZINC000294365068 385841124 /nfs/dbraw/zinc/84/11/24/385841124.db2.gz UBWIZAQTPKKXCU-UHFFFAOYSA-N -1 3 229.270 2.806 20 0 BFADHM Cc1cc(C(=O)[N-]c2ccsc2Cl)no1 ZINC000335794349 385885414 /nfs/dbraw/zinc/88/54/14/385885414.db2.gz DTZZCQWHCRHJBO-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM Cc1ccc(NC(=O)CSC(F)F)c([O-])c1 ZINC000294504188 385860101 /nfs/dbraw/zinc/86/01/01/385860101.db2.gz XJAOYMHBMSEMOP-UHFFFAOYSA-N -1 3 247.266 2.595 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H]2C(C)C)c([O-])c1C ZINC000335052038 385948490 /nfs/dbraw/zinc/94/84/90/385948490.db2.gz ITBIWYNRJJQDMZ-CYBMUJFWSA-N -1 3 247.338 2.880 20 0 BFADHM O=C([O-])c1ccc(CN[C@@H]2C=CCCC2)cc1 ZINC000414635715 386016458 /nfs/dbraw/zinc/01/64/58/386016458.db2.gz HZWGBZXKKMXBLP-CYBMUJFWSA-N -1 3 231.295 2.583 20 0 BFADHM CN(Cc1cccc(C(=O)[O-])c1)[C@H]1CC1(C)C ZINC000414639674 386030552 /nfs/dbraw/zinc/03/05/52/386030552.db2.gz QFJIWSZBXMNFPF-LBPRGKRZSA-N -1 3 233.311 2.615 20 0 BFADHM Cc1ccsc1C(=O)Nc1nc(C)ccc1[O-] ZINC000334434976 386057392 /nfs/dbraw/zinc/05/73/92/386057392.db2.gz YSYNINSRNGSQSC-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000345285921 386089422 /nfs/dbraw/zinc/08/94/22/386089422.db2.gz MOYIPGQLGDVVSL-BDAKNGLRSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1cc(C(=O)N2CCCC[C@H](C)C2)ccc1[O-] ZINC000274748409 386146727 /nfs/dbraw/zinc/14/67/27/386146727.db2.gz NRDOKKGWAFTCJS-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1ccc(F)c(CN[C@H]2CC[C@H](F)C2)c1F ZINC000334475426 386154838 /nfs/dbraw/zinc/15/48/38/386154838.db2.gz MFZCATSNZZTSIR-YUMQZZPRSA-N -1 3 245.244 2.651 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@H](C)CF)c([O-])c1 ZINC000288195403 386175367 /nfs/dbraw/zinc/17/53/67/386175367.db2.gz LWPJNOLXZCWJLR-SECBINFHSA-N -1 3 239.290 2.603 20 0 BFADHM Cc1ccc(C(=O)NC[C@@H]2CC23CC3)c([O-])c1C ZINC000416259542 386247893 /nfs/dbraw/zinc/24/78/93/386247893.db2.gz PWHHBTJYMDQGNI-NSHDSACASA-N -1 3 245.322 2.539 20 0 BFADHM CCc1cccc(NC([O-])=NOC(C)C)c1 ZINC000297395575 386251039 /nfs/dbraw/zinc/25/10/39/386251039.db2.gz HQFIIYVJSIVLDM-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM CCc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000297395575 386251043 /nfs/dbraw/zinc/25/10/43/386251043.db2.gz HQFIIYVJSIVLDM-UHFFFAOYSA-N -1 3 222.288 2.711 20 0 BFADHM Cc1ccc(C(=O)N2CCCC[C@H](C)C2)c([O-])c1 ZINC000187085052 386310012 /nfs/dbraw/zinc/31/00/12/386310012.db2.gz FZCZOAQILCQNLW-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cscc1NC([O-])=NOC(C)C ZINC000297684749 386273529 /nfs/dbraw/zinc/27/35/29/386273529.db2.gz HAOHLBQZIABUJY-UHFFFAOYSA-N -1 3 214.290 2.518 20 0 BFADHM Cc1cscc1NC(=O)[N-]OC(C)C ZINC000297684749 386273535 /nfs/dbraw/zinc/27/35/35/386273535.db2.gz HAOHLBQZIABUJY-UHFFFAOYSA-N -1 3 214.290 2.518 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CC=CCC2)ccc1[O-] ZINC000227031777 386450101 /nfs/dbraw/zinc/45/01/01/386450101.db2.gz NVMLQIFQUISYAF-LBPRGKRZSA-N -1 3 231.295 2.539 20 0 BFADHM CCc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000188330139 386428267 /nfs/dbraw/zinc/42/82/67/386428267.db2.gz BWPYZPVYVABJMT-GHMZBOCLSA-N -1 3 247.338 2.968 20 0 BFADHM CCc1ccc(C(=O)N2CCCC2(C)C)c([O-])c1 ZINC000191047651 386464300 /nfs/dbraw/zinc/46/43/00/386464300.db2.gz PISNABXCQUXFHE-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1cc(C(=O)N2CCC[C@H]2C)ccc1[O-] ZINC000291716146 386574521 /nfs/dbraw/zinc/57/45/21/386574521.db2.gz AULWSPNFIOOYTP-SNVBAGLBSA-N -1 3 233.311 2.579 20 0 BFADHM CCc1cc(C(=O)N2CC[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000291737725 386576996 /nfs/dbraw/zinc/57/69/96/386576996.db2.gz CSHABOALUXMAIS-MNOVXSKESA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cc(C(=O)N[C@H]2CCC2(C)C)ccc1[O-] ZINC000291752387 386579342 /nfs/dbraw/zinc/57/93/42/386579342.db2.gz FWUVYOOIRHUIJH-ZDUSSCGKSA-N -1 3 247.338 2.873 20 0 BFADHM CC(C)CC(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000291809068 386586201 /nfs/dbraw/zinc/58/62/01/386586201.db2.gz LPMVNEMAPDQMSS-AATRIKPKSA-N -1 3 233.739 2.859 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccn2)c([O-])c1C ZINC000048385187 386613488 /nfs/dbraw/zinc/61/34/88/386613488.db2.gz MOYYRALLCXVEHA-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC(C)(C)NCc1cccc([O-])c1Cl ZINC000293947392 386672960 /nfs/dbraw/zinc/67/29/60/386672960.db2.gz BNHMWQJGIVFKHF-UHFFFAOYSA-N -1 3 213.708 2.934 20 0 BFADHM Cc1ccc(F)c(NC([O-])=NOCC2CC2)c1 ZINC000292500451 386678959 /nfs/dbraw/zinc/67/89/59/386678959.db2.gz CIHTZOYRWYPLCO-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1ccc(F)c(NC(=O)[N-]OCC2CC2)c1 ZINC000292500451 386678969 /nfs/dbraw/zinc/67/89/69/386678969.db2.gz CIHTZOYRWYPLCO-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM CCC1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279485521 386688307 /nfs/dbraw/zinc/68/83/07/386688307.db2.gz OHKCCIBEGODQGO-LLVKDONJSA-N -1 3 249.358 2.674 20 0 BFADHM CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000279801852 386740028 /nfs/dbraw/zinc/74/00/28/386740028.db2.gz WEHRHWZWDVZWTP-RNFRBKRXSA-N -1 3 245.731 2.573 20 0 BFADHM CCc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000292777830 386724826 /nfs/dbraw/zinc/72/48/26/386724826.db2.gz LQCPGDLCFMCFLL-UHFFFAOYSA-N -1 3 234.299 2.712 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccsc1 ZINC000292886679 386741750 /nfs/dbraw/zinc/74/17/50/386741750.db2.gz YKXCOBQINOIPDN-MRVPVSSYSA-N -1 3 228.317 2.847 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2=CCCCC2)n1 ZINC000280087927 386776941 /nfs/dbraw/zinc/77/69/41/386776941.db2.gz LFPCJHQSYWLTBH-UHFFFAOYSA-N -1 3 232.283 2.535 20 0 BFADHM CC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000388933034 386777362 /nfs/dbraw/zinc/77/73/62/386777362.db2.gz USHSGGUAEPLSIW-JQWIXIFHSA-N -1 3 233.311 2.701 20 0 BFADHM CCCn1c(=O)[n-]nc1SCC1CCCC1 ZINC000341175218 386852105 /nfs/dbraw/zinc/85/21/05/386852105.db2.gz ZFEPCIAHSJFAHJ-UHFFFAOYSA-N -1 3 241.360 2.676 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CC2CCCC2)n1 ZINC000330801918 386892920 /nfs/dbraw/zinc/89/29/20/386892920.db2.gz HCDJJASSIZZTNK-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM C[C@@H]1C[C@H](C)N1Cc1cc([O-])cc(F)c1 ZINC000334842926 386889250 /nfs/dbraw/zinc/88/92/50/386889250.db2.gz BTAOJUDAWSPVAL-DTORHVGOSA-N -1 3 209.264 2.514 20 0 BFADHM CC(F)(F)C(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000293922228 386903073 /nfs/dbraw/zinc/90/30/73/386903073.db2.gz FGOJWHGSCZKWLE-QMMMGPOBSA-N -1 3 249.207 2.764 20 0 BFADHM CCc1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000335767809 386911485 /nfs/dbraw/zinc/91/14/85/386911485.db2.gz VWFJVGYIBXJMKL-UWVGGRQHSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)c([O-])c1C ZINC000334870607 386930422 /nfs/dbraw/zinc/93/04/22/386930422.db2.gz RKNBOKXEGUKMSO-NSHDSACASA-N -1 3 247.338 2.880 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccccn1 ZINC000334964334 387044666 /nfs/dbraw/zinc/04/46/66/387044666.db2.gz NMQKTPKZCROABF-JTQLQIEISA-N -1 3 242.278 2.529 20 0 BFADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])co1 ZINC000516981557 387212702 /nfs/dbraw/zinc/21/27/02/387212702.db2.gz KINJNAMVHAOBAQ-CLYYMRHHSA-N -1 3 249.310 2.741 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H]2C(C)C)ccc1[O-] ZINC000336505818 387330975 /nfs/dbraw/zinc/33/09/75/387330975.db2.gz UZFYWLLSEGKIKZ-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)C2)c1 ZINC000354137206 387334601 /nfs/dbraw/zinc/33/46/01/387334601.db2.gz DCLSZUNHZLKBJL-LLVKDONJSA-N -1 3 247.338 2.827 20 0 BFADHM C[C@H](F)CCNCc1c(F)ccc([O-])c1F ZINC000354199687 387345189 /nfs/dbraw/zinc/34/51/89/387345189.db2.gz HCVWENBIQQFEBD-ZETCQYMHSA-N -1 3 233.233 2.508 20 0 BFADHM CS[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000124372396 387615925 /nfs/dbraw/zinc/61/59/25/387615925.db2.gz GUMJXGDSRANYGQ-ZETCQYMHSA-N -1 3 243.303 2.611 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C)cc1[O-] ZINC000399551474 387553636 /nfs/dbraw/zinc/55/36/36/387553636.db2.gz AHZPWLMLXUUUMJ-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM CS[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000125718337 387663136 /nfs/dbraw/zinc/66/31/36/387663136.db2.gz DMQROTXDSZEUSD-SSDOTTSWSA-N -1 3 243.303 2.611 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c([O-])c1 ZINC000527657822 387663967 /nfs/dbraw/zinc/66/39/67/387663967.db2.gz CTLOEYYRTHXVJM-OWYVNGRQSA-N -1 3 245.322 2.931 20 0 BFADHM O=C([N-]OCc1ccccc1)[C@@H]1CCCC12CC2 ZINC000527710049 387670897 /nfs/dbraw/zinc/67/08/97/387670897.db2.gz ILGBLWNFXNSJQM-ZDUSSCGKSA-N -1 3 245.322 2.815 20 0 BFADHM CC(C)CCC[S@](=O)c1cccc([O-])c1 ZINC000431195360 387687920 /nfs/dbraw/zinc/68/79/20/387687920.db2.gz XUNLPJZPLOWBJE-HNNXBMFYSA-N -1 3 226.341 2.936 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2(CC(C)C)CC2)n1 ZINC000442812761 387846388 /nfs/dbraw/zinc/84/63/88/387846388.db2.gz RFKJOOQXSKBOJU-UHFFFAOYSA-N -1 3 248.326 2.860 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226996974 387951003 /nfs/dbraw/zinc/95/10/03/387951003.db2.gz HDFQMFHIAQIFAY-SNVBAGLBSA-N -1 3 235.327 2.819 20 0 BFADHM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000453004458 387956693 /nfs/dbraw/zinc/95/66/93/387956693.db2.gz SZNJHYXTEZKBKS-DGCLKSJQSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1C[C@H]1c1noc(-c2ccccc2[O-])n1 ZINC000083811026 388063810 /nfs/dbraw/zinc/06/38/10/388063810.db2.gz LJNIFAWIQQCUTD-VXNVDRBHSA-N -1 3 216.240 2.566 20 0 BFADHM CC[C@@H](NCc1cc([O-])cc(F)c1)C(F)F ZINC000449360142 388181298 /nfs/dbraw/zinc/18/12/98/388181298.db2.gz IXHLZYGKEOHTBW-SNVBAGLBSA-N -1 3 233.233 2.665 20 0 BFADHM CC(C)CCCC(=O)Nc1ncccc1[O-] ZINC000449108753 388143686 /nfs/dbraw/zinc/14/36/86/388143686.db2.gz SQJQXICRCPEZJH-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM CC(C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646559924 388382364 /nfs/dbraw/zinc/38/23/64/388382364.db2.gz IJYSRWROEPTVKX-UHFFFAOYSA-N -1 3 247.216 2.549 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C(C)C)C2)n1 ZINC000572929142 388389081 /nfs/dbraw/zinc/38/90/81/388389081.db2.gz MAOLLIPDFYJYCL-RYUDHWBXSA-N -1 3 249.358 2.530 20 0 BFADHM CCN(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000646648419 388401702 /nfs/dbraw/zinc/40/17/02/388401702.db2.gz UHFVZALPLIPDFZ-UHFFFAOYSA-N -1 3 247.216 2.503 20 0 BFADHM O=C(/C=C\C1CCC1)NCc1ccc([O-])c(F)c1 ZINC000492212732 388338366 /nfs/dbraw/zinc/33/83/66/388338366.db2.gz BVKSMVPEXMXZPO-ALCCZGGFSA-N -1 3 249.285 2.504 20 0 BFADHM CC(C)(C)C(C)(C)NC(=O)c1ccccc1[O-] ZINC000393890654 388445229 /nfs/dbraw/zinc/44/52/29/388445229.db2.gz ZZZFWCWJBZQEHO-UHFFFAOYSA-N -1 3 235.327 2.947 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H]3CCC[C@@H]32)ccc1[O-] ZINC000334735255 388447453 /nfs/dbraw/zinc/44/74/53/388447453.db2.gz ITCYDWLTXJSJID-YPMHNXCESA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc(-c2nc3cc(F)ccc3c(=O)[n-]2)o1 ZINC000193923191 388470932 /nfs/dbraw/zinc/47/09/32/388470932.db2.gz SQKZVDSEICWCJX-UHFFFAOYSA-N -1 3 244.225 2.631 20 0 BFADHM C[C@H](CCC1CC1)NC(=O)c1cccc([O-])c1 ZINC000347828285 388524377 /nfs/dbraw/zinc/52/43/77/388524377.db2.gz NHAKTKYOWNHIKD-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC=CCC2)c([O-])c1 ZINC000080110516 388552751 /nfs/dbraw/zinc/55/27/51/388552751.db2.gz JSQQTUIKNUXQMO-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)C1CC=CC1 ZINC000552781476 388736871 /nfs/dbraw/zinc/73/68/71/388736871.db2.gz GWKSIBPFQDRYBO-UHFFFAOYSA-N -1 3 237.686 2.950 20 0 BFADHM Cc1cc([N-]C(=O)c2scnc2C2CC2)no1 ZINC000089640304 388738558 /nfs/dbraw/zinc/73/85/58/388738558.db2.gz ADLAQYCQLXULDS-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])cc1F)C1CCC1 ZINC000144500363 388746690 /nfs/dbraw/zinc/74/66/90/388746690.db2.gz XMVDWPXSYUXTOZ-UHFFFAOYSA-N -1 3 237.274 2.508 20 0 BFADHM CCC[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000019838072 388749679 /nfs/dbraw/zinc/74/96/79/388749679.db2.gz LZYYYDVKKHOJGE-JTQLQIEISA-N -1 3 221.300 2.619 20 0 BFADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000128342721 388750118 /nfs/dbraw/zinc/75/01/18/388750118.db2.gz RSPAKFXCDNNECO-SSDOTTSWSA-N -1 3 223.247 2.516 20 0 BFADHM CCc1cccc(C(=O)N2CCCC[C@@H]2C)c1[O-] ZINC000552356401 388696753 /nfs/dbraw/zinc/69/67/53/388696753.db2.gz RDNJCHHFPUJBRI-NSHDSACASA-N -1 3 247.338 2.969 20 0 BFADHM C[C@H](NCc1cc([O-])cc(F)c1)C(F)(F)F ZINC000288567091 388803579 /nfs/dbraw/zinc/80/35/79/388803579.db2.gz ZFISWNYOIVPWOF-LURJTMIESA-N -1 3 237.196 2.572 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@H]2CC)c1[O-] ZINC000554299053 388806358 /nfs/dbraw/zinc/80/63/58/388806358.db2.gz UOCPRGJIWNIDTH-LLVKDONJSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2(C(C)C)CC2)c1 ZINC000227816618 388760305 /nfs/dbraw/zinc/76/03/05/388760305.db2.gz JLUAPECZHNGKEG-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CCN(CC1CCC1)C(=O)c1cc(C)ccc1[O-] ZINC000230319143 388824409 /nfs/dbraw/zinc/82/44/09/388824409.db2.gz ROLTULGQKJUIJY-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)(C)/C=C\C(=O)Nc1ccccc1[O-] ZINC000254950609 388868184 /nfs/dbraw/zinc/86/81/84/388868184.db2.gz IZBYBCDXDUOILA-HJWRWDBZSA-N -1 3 219.284 2.933 20 0 BFADHM CC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1ccc(C)o1 ZINC000564578165 388879501 /nfs/dbraw/zinc/87/95/01/388879501.db2.gz UXMWKLAHUSLBJM-WDEREUQCSA-N -1 3 237.299 2.588 20 0 BFADHM CC[C@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)o1 ZINC000564578163 388878906 /nfs/dbraw/zinc/87/89/06/388878906.db2.gz UXMWKLAHUSLBJM-MNOVXSKESA-N -1 3 237.299 2.588 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)[C@@H]1CC1(F)F ZINC000565666694 388962416 /nfs/dbraw/zinc/96/24/16/388962416.db2.gz LUWDODDPHWYHIC-YFKPBYRVSA-N -1 3 247.628 2.639 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccncc1 ZINC000153502691 388979484 /nfs/dbraw/zinc/97/94/84/388979484.db2.gz VGYPZDMGQKYPRJ-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CO[C@H]1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000334683444 133720605 /nfs/dbraw/zinc/72/06/05/133720605.db2.gz UPZKSRCHYBIUQG-QWRGUYRKSA-N -1 3 249.310 2.536 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]2C)c1 ZINC000336065345 134070437 /nfs/dbraw/zinc/07/04/37/134070437.db2.gz JXOPXHRWKUMGIN-AOOOYVTPSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]2C(C)C)c1 ZINC000336144069 134101304 /nfs/dbraw/zinc/10/13/04/134101304.db2.gz JWEGMPBUVONUHY-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc(C(=O)NCc2ccccc2)ccc1[O-] ZINC000226433312 134362950 /nfs/dbraw/zinc/36/29/50/134362950.db2.gz LCXUZFRXJWSEAQ-UHFFFAOYSA-N -1 3 241.290 2.631 20 0 BFADHM Cc1ccc([O-])c(CNc2ccc(Cl)cn2)n1 ZINC000347815421 136013835 /nfs/dbraw/zinc/01/38/35/136013835.db2.gz QMVLAYXBNRWZST-UHFFFAOYSA-N -1 3 249.701 2.756 20 0 BFADHM [O-]c1cccnc1CNCc1ccc(Cl)cc1 ZINC000347937061 136019081 /nfs/dbraw/zinc/01/90/81/136019081.db2.gz IYEHYGUXBCCKFL-UHFFFAOYSA-N -1 3 248.713 2.730 20 0 BFADHM C[C@@H]1C[C@@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000335331464 136053854 /nfs/dbraw/zinc/05/38/54/136053854.db2.gz IGUIFKBBHRIPME-ZYHUDNBSSA-N -1 3 245.322 2.718 20 0 BFADHM CC(F)(F)CC(=O)Nc1ccc([O-])cc1F ZINC000335594231 136104363 /nfs/dbraw/zinc/10/43/63/136104363.db2.gz WEBFMPTUNVNBLW-UHFFFAOYSA-N -1 3 233.189 2.515 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCCC(C)C)c1 ZINC000063240253 322860101 /nfs/dbraw/zinc/86/01/01/322860101.db2.gz BZRWHZLLZQGGGV-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1CC2(CC2)C1 ZINC000613209510 397946644 /nfs/dbraw/zinc/94/66/44/397946644.db2.gz ZCBXRDCRDPWCGP-UHFFFAOYSA-N -1 3 231.295 2.829 20 0 BFADHM O=C(/C=C/c1ccc[nH]1)Nc1cccc([O-])c1F ZINC000188661177 398082609 /nfs/dbraw/zinc/08/26/09/398082609.db2.gz ZVYZZKRNYIRKHV-VOTSOKGWSA-N -1 3 246.241 2.511 20 0 BFADHM CCc1cc(C(=O)N(C(C)C)C2CC2)ccc1[O-] ZINC000291578195 398095846 /nfs/dbraw/zinc/09/58/46/398095846.db2.gz UMVPVJHONXOLHO-UHFFFAOYSA-N -1 3 247.338 2.968 20 0 BFADHM CC[C@H]1CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000572007644 398129492 /nfs/dbraw/zinc/12/94/92/398129492.db2.gz YDYXPFCTDFGLQH-VIFPVBQESA-N -1 3 239.340 2.678 20 0 BFADHM CC[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956132 398122789 /nfs/dbraw/zinc/12/27/89/398122789.db2.gz CGQPYQWOKSQEMO-QMMMGPOBSA-N -1 3 218.256 2.956 20 0 BFADHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]OC(C)C ZINC000295523566 398134715 /nfs/dbraw/zinc/13/47/15/398134715.db2.gz IUTPREQFKSYRJY-UWVGGRQHSA-N -1 3 239.340 2.616 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C2CCCC2)n1 ZINC000680321540 487560581 /nfs/dbraw/zinc/56/05/81/487560581.db2.gz SOWQWELCTNFYIG-SNVBAGLBSA-N -1 3 248.326 2.860 20 0 BFADHM CCc1cccc(C(=O)NC[C@@H](C)C2CC2)c1[O-] ZINC000674360845 487565651 /nfs/dbraw/zinc/56/56/51/487565651.db2.gz WYQNKLLQAQFVTJ-SNVBAGLBSA-N -1 3 247.338 2.731 20 0 BFADHM CC1(C)C[C@@H]1c1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000334942249 487586339 /nfs/dbraw/zinc/58/63/39/487586339.db2.gz BNXYKNGWHMUWIT-SECBINFHSA-N -1 3 230.267 2.555 20 0 BFADHM CC(C)ONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000295716962 167278860 /nfs/dbraw/zinc/27/88/60/167278860.db2.gz PZTGPOASYQKPQU-UHFFFAOYSA-N -1 3 237.299 2.585 20 0 BFADHM CC(C)(C)CC(=O)[N-]OCc1ccccc1 ZINC000054708191 166549085 /nfs/dbraw/zinc/54/90/85/166549085.db2.gz HCAJYLYFUAAARQ-UHFFFAOYSA-N -1 3 221.300 2.671 20 0 BFADHM CC(C)N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000037183240 167136039 /nfs/dbraw/zinc/13/60/39/167136039.db2.gz FHLAJWJIMXGOCO-JTQLQIEISA-N -1 3 245.681 2.603 20 0 BFADHM CC(C)O[N-]C(=O)c1c(F)cccc1Cl ZINC000294034643 167279709 /nfs/dbraw/zinc/27/97/09/167279709.db2.gz IGQLBIMYJYABKR-UHFFFAOYSA-N -1 3 231.654 2.549 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H]1CCc2ccccc2C1 ZINC000295730415 167275697 /nfs/dbraw/zinc/27/56/97/167275697.db2.gz RLCKJQVXDNXLNQ-LBPRGKRZSA-N -1 3 247.338 2.638 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc2[nH]ccc2c1 ZINC000296524695 167275928 /nfs/dbraw/zinc/27/59/28/167275928.db2.gz RGVIGHVTXSGSHQ-UHFFFAOYSA-N -1 3 233.271 2.629 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc2[nH]ccc2c1 ZINC000296524695 167275930 /nfs/dbraw/zinc/27/59/30/167275930.db2.gz RGVIGHVTXSGSHQ-UHFFFAOYSA-N -1 3 233.271 2.629 20 0 BFADHM CC(C)ON=C([O-])Nc1cccc2ccn(C)c21 ZINC000297974091 167276213 /nfs/dbraw/zinc/27/62/13/167276213.db2.gz ZAZZBIDTHUSPDY-UHFFFAOYSA-N -1 3 247.298 2.640 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cccc2ccn(C)c21 ZINC000297974091 167276215 /nfs/dbraw/zinc/27/62/15/167276215.db2.gz ZAZZBIDTHUSPDY-UHFFFAOYSA-N -1 3 247.298 2.640 20 0 BFADHM CC(C)O[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000293906284 167279320 /nfs/dbraw/zinc/27/93/20/167279320.db2.gz HPPMHCDOXOESMJ-UHFFFAOYSA-N -1 3 249.644 2.688 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)CCC(C)C)c1 ZINC000042239470 410977714 /nfs/dbraw/zinc/97/77/14/410977714.db2.gz BDZQMBCYGMTAIE-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1ccc(C(=O)N(C)CCC(C)C)c([O-])c1 ZINC000042239467 410977842 /nfs/dbraw/zinc/97/78/42/410977842.db2.gz BXPZXHFDDRHWPX-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM C[C@@H]1CC(C)(C)CN1Cc1occc1C(=O)[O-] ZINC000652418955 411236820 /nfs/dbraw/zinc/23/68/20/411236820.db2.gz WXUFPEMQHQAUQK-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1cc(NC[C@H](C)C(=O)[O-])c2ccccc2n1 ZINC000054334746 411289287 /nfs/dbraw/zinc/28/92/87/411289287.db2.gz USTOITKHQYALRN-VIFPVBQESA-N -1 3 244.294 2.676 20 0 BFADHM CC(C)=CCN1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488160 411255627 /nfs/dbraw/zinc/25/56/27/411255627.db2.gz HTJKWRQTLIUUIR-UHFFFAOYSA-N -1 3 245.322 2.709 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1Cc1ccc(C(=O)[O-])o1 ZINC000050565434 411259335 /nfs/dbraw/zinc/25/93/35/411259335.db2.gz BPQHIUIAKDPSSQ-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM CN(CCCCCC(=O)[O-])Cc1ccsc1 ZINC000070595968 411345311 /nfs/dbraw/zinc/34/53/11/411345311.db2.gz WHXINNAUSBWKLO-UHFFFAOYSA-N -1 3 241.356 2.825 20 0 BFADHM CC1(CNCc2ccc(C(=O)[O-])o2)CCCC1 ZINC000104437700 168044180 /nfs/dbraw/zinc/04/41/80/168044180.db2.gz YBYVVGDKVGIOKC-UHFFFAOYSA-N -1 3 237.299 2.648 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1=C(C)OCCC1 ZINC000183062353 168079090 /nfs/dbraw/zinc/07/90/90/168079090.db2.gz WLXMBYQSDASZMC-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM Cc1cccc(C(=O)N2CCC(C)=C(C)C2)c1[O-] ZINC000280129275 168082809 /nfs/dbraw/zinc/08/28/09/168082809.db2.gz AQWZGBOPIRODLN-UHFFFAOYSA-N -1 3 245.322 2.883 20 0 BFADHM CC1=CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000075423241 168114153 /nfs/dbraw/zinc/11/41/53/168114153.db2.gz DYYRZTFFIXJFEO-UHFFFAOYSA-N -1 3 231.295 2.537 20 0 BFADHM CC1=CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000075423242 168115468 /nfs/dbraw/zinc/11/54/68/168115468.db2.gz BBOXSUDNUAGPNN-UHFFFAOYSA-N -1 3 231.295 2.537 20 0 BFADHM CC1CN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000356423620 168190076 /nfs/dbraw/zinc/19/00/76/168190076.db2.gz LBNBSLYJHDTYQE-UHFFFAOYSA-N -1 3 245.244 2.863 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000069455936 168284250 /nfs/dbraw/zinc/28/42/50/168284250.db2.gz PXGLESCCRFEVDJ-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM Cc1cc([C@H](C)N2CC[C@H]3C[C@H]3C2)oc1C(=O)[O-] ZINC000659799780 411458508 /nfs/dbraw/zinc/45/85/08/411458508.db2.gz HWADWHOKLBYXLA-DCAQKATOSA-N -1 3 249.310 2.689 20 0 BFADHM Cc1oc(CN(C)CC2CC=CC2)cc1C(=O)[O-] ZINC000659789136 411454730 /nfs/dbraw/zinc/45/47/30/411454730.db2.gz YKGPGTFJACRBDJ-UHFFFAOYSA-N -1 3 249.310 2.684 20 0 BFADHM CCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000294163440 170054277 /nfs/dbraw/zinc/05/42/77/170054277.db2.gz BPTUILZPERHRDF-UHFFFAOYSA-N -1 3 243.306 2.614 20 0 BFADHM CC12CC(C1)CN2Cc1ccc(C(=O)[O-])c(F)c1 ZINC000663315492 411622868 /nfs/dbraw/zinc/62/28/68/411622868.db2.gz IJWQVOJKLYIXBE-UHFFFAOYSA-N -1 3 249.285 2.508 20 0 BFADHM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(C)cc2[O-])O1 ZINC000268256284 171048830 /nfs/dbraw/zinc/04/88/30/171048830.db2.gz QNLQFTZTZZCWMG-ZWNOBZJWSA-N -1 3 249.310 2.597 20 0 BFADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000221486956 171051885 /nfs/dbraw/zinc/05/18/85/171051885.db2.gz KUIVEMAICVRCCS-VHSXEESVSA-N -1 3 249.310 2.501 20 0 BFADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000124655039 171052273 /nfs/dbraw/zinc/05/22/73/171052273.db2.gz KCWATJOQGFOSFF-WDEREUQCSA-N -1 3 233.311 2.795 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335651323 171131427 /nfs/dbraw/zinc/13/14/27/171131427.db2.gz VHIIGQNRSMQYOH-VXNVDRBHSA-N -1 3 223.247 2.516 20 0 BFADHM CC[C@@](C)(NCc1ccccc1Cl)C(=O)[O-] ZINC000041753472 171176325 /nfs/dbraw/zinc/17/63/25/171176325.db2.gz QKCFVKIZUKBQAB-GFCCVEGCSA-N -1 3 241.718 2.683 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1 ZINC000291723001 171289821 /nfs/dbraw/zinc/28/98/21/171289821.db2.gz HMURVYXGFLQWMK-JTQLQIEISA-N -1 3 222.288 2.786 20 0 BFADHM CC[C@H](C)C[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000088302040 171297992 /nfs/dbraw/zinc/29/79/92/171297992.db2.gz JNTAWAJXFKUSTB-QWRGUYRKSA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@H](C)C[S@@](=O)c1cccc([O-])c1 ZINC000184031335 171299964 /nfs/dbraw/zinc/29/99/64/171299964.db2.gz VXMDHQKMJLBHSC-LKFCYVNXSA-N -1 3 212.314 2.546 20 0 BFADHM CC[C@H](C)C[S@@](=O)c1ccc([O-])cc1 ZINC000151372385 171300631 /nfs/dbraw/zinc/30/06/31/171300631.db2.gz KRXVPBMAADPCNV-XPTSAGLGSA-N -1 3 212.314 2.546 20 0 BFADHM CC[C@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000037023546 171304805 /nfs/dbraw/zinc/30/48/05/171304805.db2.gz NWUBPDWDOONWKN-JTQLQIEISA-N -1 3 221.300 2.571 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227022237 171364168 /nfs/dbraw/zinc/36/41/68/171364168.db2.gz CNXPWQFRVMDWCO-GXSJLCMTSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000665203523 412136644 /nfs/dbraw/zinc/13/66/44/412136644.db2.gz IBSVEMLZLCTICG-URLYPYJESA-N -1 3 231.295 2.685 20 0 BFADHM Cc1ccc(NC(=O)C2CC3(CC3)C2)c([O-])c1 ZINC000665203891 412136979 /nfs/dbraw/zinc/13/69/79/412136979.db2.gz SCBWLFSMZKBREG-UHFFFAOYSA-N -1 3 231.295 2.829 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556894018 322930450 /nfs/dbraw/zinc/93/04/50/322930450.db2.gz IDZZANHEXWSODY-SECBINFHSA-N -1 3 249.310 2.970 20 0 BFADHM CN(Cc1cccs1)C(=O)c1cccc([O-])c1 ZINC000035122289 172893100 /nfs/dbraw/zinc/89/31/00/172893100.db2.gz XBCCXMDAGBZZFH-UHFFFAOYSA-N -1 3 247.319 2.726 20 0 BFADHM CNC(=O)c1cccc(-c2ccc([O-])c(F)c2)c1 ZINC000065340983 173311486 /nfs/dbraw/zinc/31/14/86/173311486.db2.gz ROTXZVNMBULIHS-UHFFFAOYSA-N -1 3 245.253 2.558 20 0 BFADHM COc1ccc(F)cc1-c1ccc(=S)[n-]n1 ZINC000041268927 175127546 /nfs/dbraw/zinc/12/75/46/175127546.db2.gz OAMHGFMZZLYSRU-UHFFFAOYSA-N -1 3 236.271 2.954 20 0 BFADHM COc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000019840398 175278529 /nfs/dbraw/zinc/27/85/29/175278529.db2.gz USWWRXKYTRFCEP-UHFFFAOYSA-N -1 3 243.262 2.653 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H](C)C1 ZINC000011888535 176013661 /nfs/dbraw/zinc/01/36/61/176013661.db2.gz KSXQUPDQQDIFQP-ZJUUUORDSA-N -1 3 237.299 2.771 20 0 BFADHM C[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000295436101 176108571 /nfs/dbraw/zinc/10/85/71/176108571.db2.gz UEPMREIUDWWEAN-MRVPVSSYSA-N -1 3 227.254 2.655 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc([O-])c1 ZINC000019839884 176115843 /nfs/dbraw/zinc/11/58/43/176115843.db2.gz KTFGRPOPRZJBIT-GHMZBOCLSA-N -1 3 233.311 2.795 20 0 BFADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000037256974 176143194 /nfs/dbraw/zinc/14/31/94/176143194.db2.gz FEKUFAVPOOBCII-PWSUYJOCSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)[C@@H]1C ZINC000019840261 176143229 /nfs/dbraw/zinc/14/32/29/176143229.db2.gz GHATYPAGVHVCCS-GYSYKLTISA-N -1 3 247.338 2.947 20 0 BFADHM C[C@@H]1CCC[C@H](NCc2ccc(C(=O)[O-])o2)C1 ZINC000104151488 176143901 /nfs/dbraw/zinc/14/39/01/176143901.db2.gz HFGPMIFGJUYGRU-ZJUUUORDSA-N -1 3 237.299 2.646 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)CC1(C)C ZINC000274241467 176163529 /nfs/dbraw/zinc/16/35/29/176163529.db2.gz RIADMMDHVDKGLK-LLVKDONJSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1CC[C@H](NCc2c(F)ccc([O-])c2F)C1 ZINC000353091974 176233384 /nfs/dbraw/zinc/23/33/84/176233384.db2.gz QHRDATDJYLIOSZ-BDAKNGLRSA-N -1 3 241.281 2.949 20 0 BFADHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C(C)(C)C1 ZINC000272723053 176262152 /nfs/dbraw/zinc/26/21/52/176262152.db2.gz HSGSYXGKALAAJT-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000096790797 177095237 /nfs/dbraw/zinc/09/52/37/177095237.db2.gz GIZGIJCJVWPHGX-NSHDSACASA-N -1 3 233.311 2.654 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C)C1 ZINC000011888541 177103329 /nfs/dbraw/zinc/10/33/29/177103329.db2.gz KSXQUPDQQDIFQP-UWVGGRQHSA-N -1 3 237.299 2.771 20 0 BFADHM C[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000295436103 177110398 /nfs/dbraw/zinc/11/03/98/177110398.db2.gz UEPMREIUDWWEAN-QMMMGPOBSA-N -1 3 227.254 2.655 20 0 BFADHM C[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000037251110 177136262 /nfs/dbraw/zinc/13/62/62/177136262.db2.gz LVLLKKINOFSAGV-QWRGUYRKSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@H]1CC[C@H]1NCc1c(F)ccc([O-])c1F ZINC000336383922 177207505 /nfs/dbraw/zinc/20/75/05/177207505.db2.gz WSPAQHRNCGFAIF-OIBJUYFYSA-N -1 3 227.254 2.559 20 0 BFADHM Cc1ccc(/C=C/C(=O)[N-]OC2CCC2)cc1 ZINC000492982259 226096901 /nfs/dbraw/zinc/09/69/01/226096901.db2.gz HNWNHYFSJYKQAN-MDZDMXLPSA-N -1 3 231.295 2.609 20 0 BFADHM O=C(/C=C/C1CC1)Nc1c([O-])cccc1Cl ZINC000493030740 226108836 /nfs/dbraw/zinc/10/88/36/226108836.db2.gz XQMKXUCOPRGMBO-VOTSOKGWSA-N -1 3 237.686 2.950 20 0 BFADHM O=C(/C=C/c1ccsc1)[N-]OC/C=C\Cl ZINC000493500704 226234615 /nfs/dbraw/zinc/23/46/15/226234615.db2.gz SYPNDJOIBHBWRF-FFFCQNQUSA-N -1 3 243.715 2.562 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(C)ccc1[O-] ZINC000399587448 262839950 /nfs/dbraw/zinc/83/99/50/262839950.db2.gz DSPSMHUEHAQBCD-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000088705788 487746153 /nfs/dbraw/zinc/74/61/53/487746153.db2.gz UFSBKZYVBMTRPJ-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)C1CC1 ZINC000794861804 586052120 /nfs/dbraw/zinc/05/21/20/586052120.db2.gz ABIZLMLEEIICKG-NXEZZACHSA-N -1 3 213.321 2.517 20 0 BFADHM O=C(CCCC(F)(F)F)[N-]OC/C=C/Cl ZINC000812399040 586575752 /nfs/dbraw/zinc/57/57/52/586575752.db2.gz FZDDAUWVSCECEL-GORDUTHDSA-N -1 3 245.628 2.519 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC(C)(C)C1CC1 ZINC000816977446 586776684 /nfs/dbraw/zinc/77/66/84/586776684.db2.gz ZHRCOYBHNJHCFF-JTQLQIEISA-N -1 3 227.348 2.907 20 0 BFADHM CCOC([O-])=NOCCCCc1ccccc1 ZINC000497113368 529082209 /nfs/dbraw/zinc/08/22/09/529082209.db2.gz NVSUWIZGZRVMKD-UHFFFAOYSA-N -1 3 237.299 2.687 20 0 BFADHM CCOC(=O)[N-]OCCCCc1ccccc1 ZINC000497113368 529082214 /nfs/dbraw/zinc/08/22/14/529082214.db2.gz NVSUWIZGZRVMKD-UHFFFAOYSA-N -1 3 237.299 2.687 20 0 BFADHM CCOC([O-])=NOCCCc1ccc(C)cc1 ZINC000496218380 529082856 /nfs/dbraw/zinc/08/28/56/529082856.db2.gz NHNJNNXNMFIGPQ-UHFFFAOYSA-N -1 3 237.299 2.605 20 0 BFADHM CCOC(=O)[N-]OCCCc1ccc(C)cc1 ZINC000496218380 529082863 /nfs/dbraw/zinc/08/28/63/529082863.db2.gz NHNJNNXNMFIGPQ-UHFFFAOYSA-N -1 3 237.299 2.605 20 0 BFADHM CCc1cccc(C(=O)N2CC(C(C)C)C2)c1[O-] ZINC000677128017 487876928 /nfs/dbraw/zinc/87/69/28/487876928.db2.gz ZUGOCHCRRHDGHD-UHFFFAOYSA-N -1 3 247.338 2.683 20 0 BFADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)[C@H]1C ZINC000248526804 322870028 /nfs/dbraw/zinc/87/00/28/322870028.db2.gz GHATYPAGVHVCCS-UHIISALHSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1ccc(CC(=O)Nc2cccc([O-])c2F)o1 ZINC000536463827 322975392 /nfs/dbraw/zinc/97/53/92/322975392.db2.gz MZAPCFOGIWNPLM-UHFFFAOYSA-N -1 3 249.241 2.614 20 0 BFADHM CCc1cccc(C(=O)N(C)[C@@H]2CC2(C)C)c1[O-] ZINC000562375023 323018390 /nfs/dbraw/zinc/01/83/90/323018390.db2.gz SHKFLZXUZPMQMC-GFCCVEGCSA-N -1 3 247.338 2.825 20 0 BFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000135776506 323030287 /nfs/dbraw/zinc/03/02/87/323030287.db2.gz AWLCQOZPEFOXHD-NOZJJQNGSA-N -1 3 219.284 2.767 20 0 BFADHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccccc1[O-] ZINC000403484036 323033514 /nfs/dbraw/zinc/03/35/14/323033514.db2.gz SXPXHMQFNUVEFF-UTUOFQBUSA-N -1 3 245.322 2.558 20 0 BFADHM CC[C@H]1CCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000160607563 323073610 /nfs/dbraw/zinc/07/36/10/323073610.db2.gz VKMXDCNJTPNJNK-JTQLQIEISA-N -1 3 237.299 2.518 20 0 BFADHM Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c([O-])c1 ZINC000161552164 323076127 /nfs/dbraw/zinc/07/61/27/323076127.db2.gz PAJRGLATNLNLET-QWRGUYRKSA-N -1 3 233.311 2.714 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N(C)CCC1CC1 ZINC000310360120 323130746 /nfs/dbraw/zinc/13/07/46/323130746.db2.gz TZYRIXMSBRTCGV-SECBINFHSA-N -1 3 237.299 2.771 20 0 BFADHM Cc1oc([C@H](C)N2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000571291903 323140479 /nfs/dbraw/zinc/14/04/79/323140479.db2.gz WTQOCPQWXGSJFO-BDAKNGLRSA-N -1 3 237.299 2.689 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccc2O)c([O-])c1 ZINC000048388994 323153353 /nfs/dbraw/zinc/15/33/53/323153353.db2.gz XYKRUBNZIAWTRE-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CCC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000563738094 323176550 /nfs/dbraw/zinc/17/65/50/323176550.db2.gz MBQBRFHEPOGBNM-VIFPVBQESA-N -1 3 249.310 2.970 20 0 BFADHM CC1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC000058617156 323990724 /nfs/dbraw/zinc/99/07/24/323990724.db2.gz ZCBLSHGFSCTLMH-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM [O-]c1cccnc1CSC1CCCC1 ZINC000572498275 324134563 /nfs/dbraw/zinc/13/45/63/324134563.db2.gz NMSGUKBVBSUVSB-UHFFFAOYSA-N -1 3 209.314 2.963 20 0 BFADHM CCC[C@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000520860090 324176413 /nfs/dbraw/zinc/17/64/13/324176413.db2.gz PFWURZCVWXLASD-NSHDSACASA-N -1 3 245.326 2.521 20 0 BFADHM Cc1scnc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000529550665 324338254 /nfs/dbraw/zinc/33/82/54/324338254.db2.gz QIRYWTXOLOQSPA-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1ccc(C(=O)NCC2CC=CC2)c([O-])c1C ZINC000529711239 324385322 /nfs/dbraw/zinc/38/53/22/324385322.db2.gz RVDWDKFJCNTSGS-UHFFFAOYSA-N -1 3 245.322 2.705 20 0 BFADHM CCc1cccc(C(=O)Nc2nccs2)c1[O-] ZINC000538746166 324754625 /nfs/dbraw/zinc/75/46/25/324754625.db2.gz BOOXLESVELHMOF-UHFFFAOYSA-N -1 3 248.307 2.663 20 0 BFADHM CC(C)CCC(=O)Nc1cccc([O-])c1F ZINC000128312886 324825538 /nfs/dbraw/zinc/82/55/38/324825538.db2.gz VBKYQTARRUFFJW-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C(C1CC1)C1CC1 ZINC000128451738 324840305 /nfs/dbraw/zinc/84/03/05/324840305.db2.gz UUAKIZYIUSUJQS-UHFFFAOYSA-N -1 3 249.285 2.906 20 0 BFADHM CCC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000129541748 324957933 /nfs/dbraw/zinc/95/79/33/324957933.db2.gz UIMPCVVTPBRKBQ-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000135776620 325426626 /nfs/dbraw/zinc/42/66/26/325426626.db2.gz AWLCQOZPEFOXHD-ZANVPECISA-N -1 3 219.284 2.767 20 0 BFADHM CC(=O)CCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000135928685 325433445 /nfs/dbraw/zinc/43/34/45/325433445.db2.gz LYFAJVSJFNYSTL-UHFFFAOYSA-N -1 3 249.310 2.726 20 0 BFADHM CC1(C)CCCCN(c2ccncc2C(=O)[O-])C1 ZINC000564800197 325810334 /nfs/dbraw/zinc/81/03/34/325810334.db2.gz DCXIHNFZSUHBMW-UHFFFAOYSA-N -1 3 248.326 2.796 20 0 BFADHM C[C@H]1CC2(CCC2)CN1c1ccncc1C(=O)[O-] ZINC000567984974 326291320 /nfs/dbraw/zinc/29/13/20/326291320.db2.gz FVIVXSQZGNCGKW-JTQLQIEISA-N -1 3 246.310 2.549 20 0 BFADHM CCc1cccc(C(=O)N[C@H](C)C2CCC2)c1[O-] ZINC000677412686 488030764 /nfs/dbraw/zinc/03/07/64/488030764.db2.gz PUXIXQSSFGSRRM-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)C2CCC2)c1 ZINC000677412643 488030789 /nfs/dbraw/zinc/03/07/89/488030789.db2.gz NWPWZRIWFCEEFK-JTQLQIEISA-N -1 3 247.338 2.873 20 0 BFADHM CCCC[C@@H](C)Oc1cc(=O)[n-]c(CC)n1 ZINC001226473095 974921516 /nfs/dbraw/zinc/92/15/16/974921516.db2.gz SHDCJDFKYCCOOA-SECBINFHSA-N -1 3 224.304 2.702 20 0 BFADHM CCc1nc(O[C@H](CC)C(C)(C)C)cc(=O)[n-]1 ZINC001226476926 974923040 /nfs/dbraw/zinc/92/30/40/974923040.db2.gz UYGHZKAFTRETHB-SECBINFHSA-N -1 3 238.331 2.948 20 0 BFADHM CC(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000113229746 488098587 /nfs/dbraw/zinc/09/85/87/488098587.db2.gz NQKAHLNBQJHIKY-UHFFFAOYSA-N -1 3 243.306 2.931 20 0 BFADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccco1 ZINC000677801406 488124660 /nfs/dbraw/zinc/12/46/60/488124660.db2.gz OKBXOEPGFNIHMZ-MRVPVSSYSA-N -1 3 249.241 2.867 20 0 BFADHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccsc1 ZINC000061367930 487474101 /nfs/dbraw/zinc/47/41/01/487474101.db2.gz QZNAKFOFMMKVOC-SECBINFHSA-N -1 3 247.319 2.945 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC12CCC2 ZINC000679920673 487488310 /nfs/dbraw/zinc/48/83/10/487488310.db2.gz ZCVYXAGVPHTEEL-SECBINFHSA-N -1 3 235.258 2.660 20 0 BFADHM [O-]c1coc2cc(OCCCCCF)ccc12 ZINC000304455266 487500817 /nfs/dbraw/zinc/50/08/17/487500817.db2.gz YRRSDZQOGLUFLS-UHFFFAOYSA-N -1 3 238.258 2.780 20 0 BFADHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H](C)C1 ZINC000051733357 487785661 /nfs/dbraw/zinc/78/56/61/487785661.db2.gz GHVQBWJEFUHHDA-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000167560523 488190632 /nfs/dbraw/zinc/19/06/32/488190632.db2.gz PFPKEBFTHMHILN-YVMONPNESA-N -1 3 242.278 2.670 20 0 BFADHM CCc1cccc(C(=O)N[C@H]2CCC[C@@H]2C)c1[O-] ZINC000678311096 488239723 /nfs/dbraw/zinc/23/97/23/488239723.db2.gz WPLNBFJBINHODO-GWCFXTLKSA-N -1 3 247.338 2.873 20 0 BFADHM O=C(CCC(F)F)Nc1cccc([O-])c1F ZINC000684470737 488318297 /nfs/dbraw/zinc/31/82/97/488318297.db2.gz XRQWEUJYEGLSKM-UHFFFAOYSA-N -1 3 233.189 2.515 20 0 BFADHM Cc1cccc(C(=O)N[C@@H](C)C2CCC2)c1[O-] ZINC000125945317 490473781 /nfs/dbraw/zinc/47/37/81/490473781.db2.gz YGULUNXKVSQLKB-JTQLQIEISA-N -1 3 233.311 2.619 20 0 BFADHM CC(C)(C)CC(=O)NCc1ccc([O-])c(F)c1 ZINC000133085871 490542278 /nfs/dbraw/zinc/54/22/78/490542278.db2.gz LHJJLRPBCZQVMO-UHFFFAOYSA-N -1 3 239.290 2.584 20 0 BFADHM CC[C@H](C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131281969 490627008 /nfs/dbraw/zinc/62/70/08/490627008.db2.gz SJOHRYFAMLHUDI-JTQLQIEISA-N -1 3 233.311 2.747 20 0 BFADHM Cc1cc(/C=C\C(=O)[N-]OC2CCC2)ccc1F ZINC000493712097 534014797 /nfs/dbraw/zinc/01/47/97/534014797.db2.gz DXRCWAMFUHPTIU-VURMDHGXSA-N -1 3 249.285 2.748 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000336185978 535913003 /nfs/dbraw/zinc/91/30/03/535913003.db2.gz ISFYQHSVRFPFHT-HTQZYQBOSA-N -1 3 223.247 2.516 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000177106003 536190893 /nfs/dbraw/zinc/19/08/93/536190893.db2.gz QULVNGGPJRAYRV-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM CCCONC(=O)c1ccc(C(C)C)cc1[O-] ZINC000844085274 582569788 /nfs/dbraw/zinc/56/97/88/582569788.db2.gz LFRFIASGSOCIBO-UHFFFAOYSA-N -1 3 237.299 2.587 20 0 BFADHM C[C@H]1CCN(Cc2cc([O-])cc(Cl)c2)C1 ZINC000891797917 582722834 /nfs/dbraw/zinc/72/28/34/582722834.db2.gz LZOMRCSWFCJWJZ-VIFPVBQESA-N -1 3 225.719 2.887 20 0 BFADHM COc1ccc(NC(=O)[C@H]2CC=CCC2)c([O-])c1 ZINC000135405926 582966667 /nfs/dbraw/zinc/96/66/67/582966667.db2.gz DMZHBAKMPOTNME-JTQLQIEISA-N -1 3 247.294 2.696 20 0 BFADHM COc1ccc(NC(=O)C2CCCCC2)c([O-])c1 ZINC000135406051 582967049 /nfs/dbraw/zinc/96/70/49/582967049.db2.gz IFXZKNBARNFNCM-UHFFFAOYSA-N -1 3 249.310 2.920 20 0 BFADHM CC1(CC(=O)[N-]OCC2CCC2)CCCC1 ZINC000856351997 588870080 /nfs/dbraw/zinc/87/00/80/588870080.db2.gz 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IFSVWTJUXKRWDS-UHFFFAOYSA-N -1 3 219.284 2.677 20 0 BFADHM Cc1ccccc1CC(=O)[N-]OC1CCCCC1 ZINC000777962030 585724375 /nfs/dbraw/zinc/72/43/75/585724375.db2.gz OFRXMPOVVQWLKA-UHFFFAOYSA-N -1 3 247.338 2.918 20 0 BFADHM CCC(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000779317023 585750714 /nfs/dbraw/zinc/75/07/14/585750714.db2.gz OGOXSXVPNSCIPR-UHFFFAOYSA-N -1 3 213.321 2.803 20 0 BFADHM CCC1(C(=O)[N-]OC2CCCCC2)CCC1 ZINC000779320982 585750919 /nfs/dbraw/zinc/75/09/19/585750919.db2.gz SCYAFAFLEYZPAZ-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM O=C([N-]OC1CCCCC1)C(C1CC1)C1CC1 ZINC000779318686 585751014 /nfs/dbraw/zinc/75/10/14/585751014.db2.gz XNOMEJZHYMDEST-UHFFFAOYSA-N -1 3 237.343 2.803 20 0 BFADHM O=C(CCC1CC1)[N-]OC1CCCCC1 ZINC000779321398 585751079 /nfs/dbraw/zinc/75/10/79/585751079.db2.gz ZHQSWCRNKYMKPX-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM O=C(C[C@H]1C=CCC1)[N-]OC1CCCCC1 ZINC000779320842 585751089 /nfs/dbraw/zinc/75/10/89/585751089.db2.gz BWGLGJNQNMDLOM-NSHDSACASA-N -1 3 223.316 2.723 20 0 BFADHM CCCCC[C@@](C)(CC)C(=O)[N-]OC ZINC000780313012 585777451 /nfs/dbraw/zinc/77/74/51/585777451.db2.gz TWRIJMIDKZAQGN-LLVKDONJSA-N -1 3 201.310 2.661 20 0 BFADHM CCCCC[C@@](C)(CC)C(=O)[N-]OCCOC ZINC000780858108 585785263 /nfs/dbraw/zinc/78/52/63/585785263.db2.gz WQPUPSJLHKNBER-CYBMUJFWSA-N -1 3 245.363 2.677 20 0 BFADHM O=c1ccnc(C=Cc2scnc2C2CC2)[n-]1 ZINC000782341202 585815682 /nfs/dbraw/zinc/81/56/82/585815682.db2.gz IGGFKWXKSYWCBW-ARJAWSKDSA-N -1 3 245.307 2.687 20 0 BFADHM CC(C)[C@H](F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000784447448 585859986 /nfs/dbraw/zinc/85/99/86/585859986.db2.gz XAIDTLPNTRTCNZ-JTQLQIEISA-N -1 3 245.681 2.978 20 0 BFADHM C/C=C\COC(=O)c1c(C)[n-]nc1C(C)C ZINC000786338674 585890011 /nfs/dbraw/zinc/89/00/11/585890011.db2.gz CQOBJVLLYNPOHF-WAYWQWQTSA-N -1 3 222.288 2.574 20 0 BFADHM C/C=C\COC(=O)c1c(C)n[n-]c1C(C)C ZINC000786338674 585890012 /nfs/dbraw/zinc/89/00/12/585890012.db2.gz CQOBJVLLYNPOHF-WAYWQWQTSA-N -1 3 222.288 2.574 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OCC1CCC1 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/nfs/dbraw/zinc/07/17/74/586071774.db2.gz MMKLUPIKRHMRHM-UHFFFAOYSA-N -1 3 235.327 2.942 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@H]1CCC(F)(F)C1 ZINC000795273049 586074053 /nfs/dbraw/zinc/07/40/53/586074053.db2.gz VQWDZRTWIRZOKY-VIFPVBQESA-N -1 3 247.285 2.802 20 0 BFADHM C/C=C(\CC)C(=O)[N-]OCc1ccccc1OC ZINC000799092741 586156304 /nfs/dbraw/zinc/15/63/04/586156304.db2.gz CKWFKVSBCXFAMJ-NYYWCZLTSA-N -1 3 249.310 2.599 20 0 BFADHM CC1(C)CCC[C@@H]1OC(=O)c1cncc([O-])c1 ZINC000799488425 586180177 /nfs/dbraw/zinc/18/01/77/586180177.db2.gz ROKYYWGPBYGBSW-NSHDSACASA-N -1 3 235.283 2.523 20 0 BFADHM Cc1cc(C(=O)OC[C@@H]2C[C@@H]2C)ccc1[O-] ZINC000859625938 589050447 /nfs/dbraw/zinc/05/04/47/589050447.db2.gz DJYSYIKSQFSJTF-KWQFWETISA-N -1 3 220.268 2.513 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC[C@H]1C[C@H]1C ZINC000859650784 589052036 /nfs/dbraw/zinc/05/20/36/589052036.db2.gz BWPKWLJCDWDSIO-PSASIEDQSA-N -1 3 236.315 2.654 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OC[C@H]1C[C@H]1C ZINC000859650784 589052038 /nfs/dbraw/zinc/05/20/38/589052038.db2.gz BWPKWLJCDWDSIO-PSASIEDQSA-N -1 3 236.315 2.654 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000859650785 589052103 /nfs/dbraw/zinc/05/21/03/589052103.db2.gz BWPKWLJCDWDSIO-SCZZXKLOSA-N -1 3 236.315 2.654 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OC[C@@H]1C[C@H]1C ZINC000859650785 589052104 /nfs/dbraw/zinc/05/21/04/589052104.db2.gz BWPKWLJCDWDSIO-SCZZXKLOSA-N -1 3 236.315 2.654 20 0 BFADHM O=C(CCCC(F)(F)F)[N-]OC/C=C\Cl ZINC000812399039 586575732 /nfs/dbraw/zinc/57/57/32/586575732.db2.gz FZDDAUWVSCECEL-DJWKRKHSSA-N -1 3 245.628 2.519 20 0 BFADHM CCC(CC)CC(=O)[N-]OC/C=C\Cl ZINC000812402761 586575918 /nfs/dbraw/zinc/57/59/18/586575918.db2.gz IIOIPXFKNPZDCJ-WAYWQWQTSA-N -1 3 219.712 2.613 20 0 BFADHM C[C@H](O[N-]C(=O)C(C)(C)C)c1ccccc1 ZINC000812414990 586576867 /nfs/dbraw/zinc/57/68/67/586576867.db2.gz WEYVSQHLJUVODC-JTQLQIEISA-N -1 3 221.300 2.842 20 0 BFADHM O=C(CCCC1CC1)[N-]OCc1ccccc1 ZINC000812455916 586577700 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ZINC000836375346 587832037 /nfs/dbraw/zinc/83/20/37/587832037.db2.gz YCQDGRGQMFRDOP-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM Cc1cc(NC(=O)[N-]OC2CCC2)ccc1F ZINC000836375346 587832038 /nfs/dbraw/zinc/83/20/38/587832038.db2.gz YCQDGRGQMFRDOP-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM CC(C)CO[N-]C(=O)C1(C2CCC2)CCC1 ZINC000836779876 587836658 /nfs/dbraw/zinc/83/66/58/587836658.db2.gz XLNBNRGLXYRAPX-UHFFFAOYSA-N -1 3 225.332 2.661 20 0 BFADHM Cc1ccc(/C=C\CC(=O)[N-]OC(C)C)cc1 ZINC000836797847 587837029 /nfs/dbraw/zinc/83/70/29/587837029.db2.gz CKWAPOVBGYOBLM-PLNGDYQASA-N -1 3 233.311 2.855 20 0 BFADHM Cc1ccc(/C=C/CC(=O)[N-]OC(C)C)cc1 ZINC000836797848 587837085 /nfs/dbraw/zinc/83/70/85/587837085.db2.gz CKWAPOVBGYOBLM-SNAWJCMRSA-N -1 3 233.311 2.855 20 0 BFADHM C[C@H]([N-]C(=O)C(F)(F)F)[C@H]1CCC[C@H](C)C1 ZINC000837156860 587856383 /nfs/dbraw/zinc/85/63/83/587856383.db2.gz TVNQKPRAKMFCQX-CIUDSAMLSA-N -1 3 237.265 2.880 20 0 BFADHM CC[C@@H](C)COC(=O)c1cc([O-])ccc1F ZINC000837867401 587901036 /nfs/dbraw/zinc/90/10/36/587901036.db2.gz BAKZSBMSZDFLQP-MRVPVSSYSA-N -1 3 226.247 2.734 20 0 BFADHM CCC(CC)OC(=O)c1cc([O-])ccc1F ZINC000837869823 587901115 /nfs/dbraw/zinc/90/11/15/587901115.db2.gz QPGPSBLHCSLKGG-UHFFFAOYSA-N -1 3 226.247 2.877 20 0 BFADHM CNC(=S)[N-]c1ccc(C)cc1SC ZINC000840856818 587925953 /nfs/dbraw/zinc/92/59/53/587925953.db2.gz LTTGEBRRUBSSCV-UHFFFAOYSA-N -1 3 226.370 2.633 20 0 BFADHM CC(C)(C)CC(=O)[N-]OCCCC(F)(F)F ZINC000842060760 587994212 /nfs/dbraw/zinc/99/42/12/587994212.db2.gz DXRBLVZESAEWEC-UHFFFAOYSA-N -1 3 241.253 2.813 20 0 BFADHM CCCc1ccc(CCCC(=O)[N-]OC)cc1 ZINC000843762122 588138332 /nfs/dbraw/zinc/13/83/32/588138332.db2.gz KXYJFCLBFXVMJR-UHFFFAOYSA-N -1 3 235.327 2.639 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)C2(F)CC2)c1[O-] ZINC000843842617 588144044 /nfs/dbraw/zinc/14/40/44/588144044.db2.gz LNTCIZHMFTZFSL-UHFFFAOYSA-N -1 3 243.665 2.795 20 0 BFADHM C[C@@H]1CCN(C(=O)C2(F)CC2)c2c([O-])cccc21 ZINC000843857436 588145557 /nfs/dbraw/zinc/14/55/57/588145557.db2.gz ODCSYFGWBIFQOZ-SECBINFHSA-N -1 3 249.285 2.735 20 0 BFADHM CCCO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000844082194 588162079 /nfs/dbraw/zinc/16/20/79/588162079.db2.gz AKWCUPSDROPJIS-JTQLQIEISA-N -1 3 215.337 2.907 20 0 BFADHM CCCO[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000844083181 588162813 /nfs/dbraw/zinc/16/28/13/588162813.db2.gz LEVKAPQZGSEXKW-JTQLQIEISA-N -1 3 239.290 2.777 20 0 BFADHM CCCO[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000844083761 588162932 /nfs/dbraw/zinc/16/29/32/588162932.db2.gz QUXPXBLYNJJMAI-UHFFFAOYSA-N -1 3 235.327 2.812 20 0 BFADHM CCCO[N-]C(=O)Cc1cccc(C)c1Cl ZINC000844087106 588164559 /nfs/dbraw/zinc/16/45/59/588164559.db2.gz IAZRZAMRHVMWDI-UHFFFAOYSA-N -1 3 241.718 2.649 20 0 BFADHM CCCO[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000844086779 588164631 /nfs/dbraw/zinc/16/46/31/588164631.db2.gz QAFUQGHORSXJNJ-CYBMUJFWSA-N -1 3 247.338 2.954 20 0 BFADHM CCCO[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC000844088191 588165565 /nfs/dbraw/zinc/16/55/65/588165565.db2.gz MMFWTSFXMHVPCV-UONOGXRCSA-N -1 3 247.338 2.810 20 0 BFADHM CO[N-]C(=O)CCc1c(Cl)cccc1Cl ZINC000847319300 588310796 /nfs/dbraw/zinc/31/07/96/588310796.db2.gz UONQZJCRZLXAPX-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM C[C@@H]1C[C@@H]1c1noc(-c2cc3occc3[n-]2)n1 ZINC000848709707 588407393 /nfs/dbraw/zinc/40/73/93/588407393.db2.gz GMOXRPYXRPXKCF-RQJHMYQMSA-N -1 3 229.239 2.934 20 0 BFADHM O=C(/C=C/c1ccco1)[N-]OCc1ccccc1 ZINC000008096641 588640563 /nfs/dbraw/zinc/64/05/63/588640563.db2.gz FVOLBBYZKIGCGP-CMDGGOBGSA-N -1 3 243.262 2.541 20 0 BFADHM CC[C@@H]1CCC[C@H](C)N1Cc1nc(C)cc(=O)[n-]1 ZINC000852711985 588696930 /nfs/dbraw/zinc/69/69/30/588696930.db2.gz JXDJLLXRSSWHSR-NWDGAFQWSA-N -1 3 249.358 2.644 20 0 BFADHM CCc1n[n-]c(Cl)c1C(=O)OC1CC(C)C1 ZINC000860782026 589119946 /nfs/dbraw/zinc/11/99/46/589119946.db2.gz KUMUONXRPUNDNZ-UHFFFAOYSA-N -1 3 242.706 2.581 20 0 BFADHM CCc1[n-]nc(Cl)c1C(=O)OC1CC(C)C1 ZINC000860782026 589119948 /nfs/dbraw/zinc/11/99/48/589119948.db2.gz KUMUONXRPUNDNZ-UHFFFAOYSA-N -1 3 242.706 2.581 20 0 BFADHM CON(C(=O)c1c(C)cccc1[O-])C1CCCC1 ZINC000860804118 589121486 /nfs/dbraw/zinc/12/14/86/589121486.db2.gz BVIDOMBDCMKAEO-UHFFFAOYSA-N -1 3 249.310 2.647 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000861807568 589178774 /nfs/dbraw/zinc/17/87/74/589178774.db2.gz BIOHWSOCRKUQPZ-GHMZBOCLSA-N -1 3 239.315 2.867 20 0 BFADHM CSCCCCCCC(=O)[N-]OC1CCC1 ZINC000861880606 589181535 /nfs/dbraw/zinc/18/15/35/589181535.db2.gz FQMLUBTXHUODHW-UHFFFAOYSA-N -1 3 245.388 2.900 20 0 BFADHM CC[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000204856821 589381683 /nfs/dbraw/zinc/38/16/83/589381683.db2.gz CISKOICUNNRIGT-SSDOTTSWSA-N -1 3 207.229 2.716 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@]23C[C@H]2CCCC3)n1 ZINC000867898355 589538982 /nfs/dbraw/zinc/53/89/82/589538982.db2.gz IDQYMLUGOVFQRA-QMTHXVAHSA-N -1 3 246.310 2.614 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)[C@]12C[C@H]1CCCC2 ZINC000868522410 589562411 /nfs/dbraw/zinc/56/24/11/589562411.db2.gz HJLKJYCNWKJBKW-DMDPSCGWSA-N -1 3 225.332 2.661 20 0 BFADHM CC[C@H](C)OC(=O)c1cn[n-]c1-c1ccco1 ZINC000869759152 589628547 /nfs/dbraw/zinc/62/85/47/589628547.db2.gz OFDWJEWADRGFLJ-QMMMGPOBSA-N -1 3 234.255 2.625 20 0 BFADHM CC[C@H](C)OC(=O)c1c[n-]nc1-c1ccco1 ZINC000869759152 589628548 /nfs/dbraw/zinc/62/85/48/589628548.db2.gz OFDWJEWADRGFLJ-QMMMGPOBSA-N -1 3 234.255 2.625 20 0 BFADHM O=C(OCC1CC1)c1c(Cl)[n-]nc1C1CC1 ZINC000869903150 589636889 /nfs/dbraw/zinc/63/68/89/589636889.db2.gz LFPOYLFCGNNHCA-UHFFFAOYSA-N -1 3 240.690 2.507 20 0 BFADHM O=C(OCC1CC1)c1c(Cl)n[n-]c1C1CC1 ZINC000869903150 589636890 /nfs/dbraw/zinc/63/68/90/589636890.db2.gz LFPOYLFCGNNHCA-UHFFFAOYSA-N -1 3 240.690 2.507 20 0 BFADHM C[C@H](CC1CCC1)[N-]C(=O)C(F)(F)C(F)F ZINC000871089941 589722727 /nfs/dbraw/zinc/72/27/27/589722727.db2.gz PCKRTOHWIMCAHK-ZCFIWIBFSA-N -1 3 241.228 2.582 20 0 BFADHM CCC1(C(=O)[N-]OCCCC(F)(F)F)CC1 ZINC000871213484 589746417 /nfs/dbraw/zinc/74/64/17/589746417.db2.gz SEGRLXSATZRMBF-UHFFFAOYSA-N -1 3 239.237 2.567 20 0 BFADHM CCc1c(-c2ccccc2)[n-]n(CC2CC2)c1=O ZINC000871942115 589835811 /nfs/dbraw/zinc/83/58/11/589835811.db2.gz CRWXBVYWWQGJPJ-CYBMUJFWSA-N -1 3 242.322 2.669 20 0 BFADHM CCc1c(-c2ccccc2)[n-]n(C2CCC2)c1=O ZINC000871942849 589836878 /nfs/dbraw/zinc/83/68/78/589836878.db2.gz PMETVKJUWURRJW-ZDUSSCGKSA-N -1 3 242.322 2.812 20 0 BFADHM CCCCCC[C@H](C)n1[n-]c(C)c(F)c1=O ZINC000871959203 589844614 /nfs/dbraw/zinc/84/46/14/589844614.db2.gz IWUZVEATYDZPHI-ONGXEEELSA-N -1 3 228.311 2.902 20 0 BFADHM CC[C@@H](COC)N[C@@H](C)c1cccc([O-])c1F ZINC000872038036 589858889 /nfs/dbraw/zinc/85/88/89/589858889.db2.gz KGERFRYDLJRWQU-UWVGGRQHSA-N -1 3 241.306 2.607 20 0 BFADHM C[C@@H](N[C@@H]1CCSC1)c1cccc([O-])c1F ZINC000872048579 589860763 /nfs/dbraw/zinc/86/07/63/589860763.db2.gz JVNLIRNSFSUMDJ-RKDXNWHRSA-N -1 3 241.331 2.687 20 0 BFADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1cn[nH]c1 ZINC000872053235 589861248 /nfs/dbraw/zinc/86/12/48/589861248.db2.gz WKTBCMLCFXCTJU-RKDXNWHRSA-N -1 3 249.289 2.666 20 0 BFADHM CC(C)OCCN[C@H](C)c1cccc([O-])c1F ZINC000872062938 589863038 /nfs/dbraw/zinc/86/30/38/589863038.db2.gz QYCFBPDSDKLNBA-SNVBAGLBSA-N -1 3 241.306 2.607 20 0 BFADHM C[C@H](NC1(C(F)F)CC1)c1cccc([O-])c1F ZINC000872068516 589864418 /nfs/dbraw/zinc/86/44/18/589864418.db2.gz HPJOPGQTQLDWQR-ZETCQYMHSA-N -1 3 245.244 2.980 20 0 BFADHM CC[C@H](CN[C@H](C)c1cccc([O-])c1F)OC ZINC000872072909 589864896 /nfs/dbraw/zinc/86/48/96/589864896.db2.gz LLCBJHJUVRQUEW-NXEZZACHSA-N -1 3 241.306 2.607 20 0 BFADHM C/C=C/CN[C@@H](C)c1cccc([O-])c1F ZINC000872089689 589867942 /nfs/dbraw/zinc/86/79/42/589867942.db2.gz CHEAYOAYUTWBET-NWALNABHSA-N -1 3 209.264 2.758 20 0 BFADHM CCC(F)(F)c1ccccc1[N-]S(C)(=O)=O ZINC000872409551 589936002 /nfs/dbraw/zinc/93/60/02/589936002.db2.gz MAIKTUIXHXIKKU-UHFFFAOYSA-N -1 3 249.282 2.560 20 0 BFADHM CC[C@H](C)[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872421513 589938623 /nfs/dbraw/zinc/93/86/23/589938623.db2.gz NBTQMGVCKNXKMG-BQBZGAKWSA-N -1 3 229.711 2.682 20 0 BFADHM O=c1[n-]nc(Cl)cc1NC[C@H]1CC=CCC1 ZINC000872427712 589938798 /nfs/dbraw/zinc/93/87/98/589938798.db2.gz MKQHPWKYWXEOLG-QMMMGPOBSA-N -1 3 239.706 2.604 20 0 BFADHM CC(C)[C@@H](C)CNc1cc(Cl)n[n-]c1=O ZINC000872461728 589939510 /nfs/dbraw/zinc/93/95/10/589939510.db2.gz VSLDSORXALRGJX-ZETCQYMHSA-N -1 3 229.711 2.540 20 0 BFADHM CC[C@@H](C)CSc1cc(Cl)n[n-]c1=O ZINC000872479169 589943888 /nfs/dbraw/zinc/94/38/88/589943888.db2.gz IEULCXDDWKRPMT-ZCFIWIBFSA-N -1 3 232.736 2.974 20 0 BFADHM CCCC[C@@H](C)N(C)c1cc(Cl)n[n-]c1=O ZINC000872551625 589948936 /nfs/dbraw/zinc/94/89/36/589948936.db2.gz XOTWCVJVGYJFCZ-MRVPVSSYSA-N -1 3 243.738 2.851 20 0 BFADHM O=c1[n-]nc(Cl)cc1NC1CC2(CCC2)C1 ZINC000872586022 589954618 /nfs/dbraw/zinc/95/46/18/589954618.db2.gz KCZVXFQTHLLQHF-UHFFFAOYSA-N -1 3 239.706 2.580 20 0 BFADHM C[C@@H](CC1CCC1)Nc1cc(Cl)n[n-]c1=O ZINC000872622162 589956457 /nfs/dbraw/zinc/95/64/57/589956457.db2.gz HSKWISPYHOMQBF-ZETCQYMHSA-N -1 3 241.722 2.826 20 0 BFADHM O=c1[n-]nc(Cl)cc1NCCCCC1CC1 ZINC000872625470 589957182 /nfs/dbraw/zinc/95/71/82/589957182.db2.gz AIJOZPYSEOMJEP-UHFFFAOYSA-N -1 3 241.722 2.828 20 0 BFADHM CCC/C=C\C(=O)[N-]Oc1ccccc1F ZINC000874911427 590153699 /nfs/dbraw/zinc/15/36/99/590153699.db2.gz STCWRNDVORQUMN-WTKPLQERSA-N -1 3 223.247 2.592 20 0 BFADHM CC/C(C)=C\C(=O)[N-]Oc1ccccc1F ZINC000874910750 590154425 /nfs/dbraw/zinc/15/44/25/590154425.db2.gz HMDHLIASDUWEEF-HJWRWDBZSA-N -1 3 223.247 2.592 20 0 BFADHM CC/C=C(/C)C(=O)[N-]Oc1ccccc1F ZINC000874912905 590155168 /nfs/dbraw/zinc/15/51/68/590155168.db2.gz VXYZFFVPZUOSMC-TWGQIWQCSA-N -1 3 223.247 2.592 20 0 BFADHM CCCCCC(=O)[N-]Oc1ccccc1F ZINC000874912936 590155184 /nfs/dbraw/zinc/15/51/84/590155184.db2.gz XKLQBTBCMAVPTB-UHFFFAOYSA-N -1 3 225.263 2.816 20 0 BFADHM CC[C@H]1CCC[C@@]1(C)C(=O)[N-]OCC(F)F ZINC000879476769 590777566 /nfs/dbraw/zinc/77/75/66/590777566.db2.gz QHFYLOIHZCCKLZ-GZMMTYOYSA-N -1 3 235.274 2.516 20 0 BFADHM CC(C)(CC(=O)[N-]OCC1CC1)CC(F)F ZINC000880111020 590927670 /nfs/dbraw/zinc/92/76/70/590927670.db2.gz OYFQWQJNXXRXDB-UHFFFAOYSA-N -1 3 235.274 2.516 20 0 BFADHM CC[C@H]1CCC[C@]1(C)C(=O)[N-]OCC1CC1 ZINC000880111630 590927074 /nfs/dbraw/zinc/92/70/74/590927074.db2.gz USBSKOFTPDSYLO-AAEUAGOBSA-N -1 3 225.332 2.661 20 0 BFADHM CCCO[N-]C(=O)CC(C)(C)CC(F)F ZINC000880418723 591027815 /nfs/dbraw/zinc/02/78/15/591027815.db2.gz DIAAZAMULMRDRF-UHFFFAOYSA-N -1 3 223.263 2.516 20 0 BFADHM CCC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)C(C)C ZINC000128784611 591161463 /nfs/dbraw/zinc/16/14/63/591161463.db2.gz FKGZIQSNPSAHNJ-NEPJUHHUSA-N -1 3 243.347 2.633 20 0 BFADHM Cc1cc(C)c(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000131724228 591650104 /nfs/dbraw/zinc/65/01/04/591650104.db2.gz BHLABUCEWZCVEA-SNAWJCMRSA-N -1 3 240.306 2.866 20 0 BFADHM O=C(CC1CCCC1)[N-]OC1CCCC1 ZINC000135145613 591992792 /nfs/dbraw/zinc/99/27/92/591992792.db2.gz UKTZLCFVLVCOBR-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM CCCCCCC(=O)[N-]OC1CCCC1 ZINC000135354852 592009322 /nfs/dbraw/zinc/00/93/22/592009322.db2.gz UZNQMHCOCJSTOU-UHFFFAOYSA-N -1 3 213.321 2.947 20 0 BFADHM CC(C)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000095208808 599062936 /nfs/dbraw/zinc/06/29/36/599062936.db2.gz NUGOBYKZMKCOHK-UHFFFAOYSA-N -1 3 238.291 2.506 20 0 BFADHM CC(C)Sc1ccc(-c2nn[n-]n2)cc1F ZINC000095208808 599062939 /nfs/dbraw/zinc/06/29/39/599062939.db2.gz NUGOBYKZMKCOHK-UHFFFAOYSA-N -1 3 238.291 2.506 20 0 BFADHM c1ccc(-c2nnn[n-]2)c(SC2CCCC2)c1 ZINC000095237030 599432634 /nfs/dbraw/zinc/43/26/34/599432634.db2.gz CCRYIPHYAXYKLS-UHFFFAOYSA-N -1 3 246.339 2.901 20 0 BFADHM c1ccc(-c2nn[n-]n2)c(SC2CCCC2)c1 ZINC000095237030 599432636 /nfs/dbraw/zinc/43/26/36/599432636.db2.gz CCRYIPHYAXYKLS-UHFFFAOYSA-N -1 3 246.339 2.901 20 0 BFADHM CCSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095282455 608205195 /nfs/dbraw/zinc/20/51/95/608205195.db2.gz SUPHGDCDUVJRRV-UHFFFAOYSA-N -1 3 240.719 2.632 20 0 BFADHM CCSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095282455 608205197 /nfs/dbraw/zinc/20/51/97/608205197.db2.gz SUPHGDCDUVJRRV-UHFFFAOYSA-N -1 3 240.719 2.632 20 0 BFADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)C=CCC1 ZINC000935137678 632463434 /nfs/dbraw/zinc/46/34/34/632463434.db2.gz LQFCDZJGBFHEMR-CYBMUJFWSA-N -1 3 235.258 2.826 20 0 BFADHM CCC[C@H](C)CC(=O)[N-]OCC(C)C ZINC000153464768 632818124 /nfs/dbraw/zinc/81/81/24/632818124.db2.gz DELMGMUWMGFCBX-JTQLQIEISA-N -1 3 201.310 2.517 20 0 BFADHM CCC(CC)CC(=O)[N-]OCCC(F)(F)F ZINC000162941159 633042327 /nfs/dbraw/zinc/04/23/27/633042327.db2.gz HIZSQRDDLCPYIE-UHFFFAOYSA-N -1 3 241.253 2.813 20 0 BFADHM Cc1ccc(C(=O)Nc2ccc(O)cc2)c([O-])c1 ZINC000020211645 633809797 /nfs/dbraw/zinc/80/97/97/633809797.db2.gz QUNSYQYJGIYULT-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CC/C=C/CCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000184429086 634005365 /nfs/dbraw/zinc/00/53/65/634005365.db2.gz LOCZJKGXZHVBKQ-SNAWJCMRSA-N -1 3 247.338 2.942 20 0 BFADHM Cc1ccc(CC[N-]C(=O)C(F)(F)F)cc1C ZINC000258882869 635217448 /nfs/dbraw/zinc/21/74/48/635217448.db2.gz XRTQMRZDXKSYBC-UHFFFAOYSA-N -1 3 245.244 2.524 20 0 BFADHM CCC1(C(=O)[N-]OCc2ccccn2)CCCC1 ZINC000909536241 636226259 /nfs/dbraw/zinc/22/62/59/636226259.db2.gz CTZXMPYKLNKGRL-UHFFFAOYSA-N -1 3 248.326 2.600 20 0 BFADHM O=C([O-])[C@H](N[C@H]1C=CCCC1)c1ccccc1F ZINC000905377114 637793599 /nfs/dbraw/zinc/79/35/99/637793599.db2.gz RXABHITURRXBDX-GXFFZTMASA-N -1 3 249.285 2.650 20 0 BFADHM O=C([N-]OCC(F)F)C1(C2CCCCC2)CC1 ZINC000907381393 638377337 /nfs/dbraw/zinc/37/73/37/638377337.db2.gz KTYQTZSZXVTOPV-UHFFFAOYSA-N -1 3 247.285 2.660 20 0 BFADHM COC/C(C)=C\COC(=O)c1cc2occc2[n-]1 ZINC000909256821 639185766 /nfs/dbraw/zinc/18/57/66/639185766.db2.gz QFRHTKIGJSPIMC-OQFOIZHKSA-N -1 3 249.266 2.510 20 0 BFADHM Cc1cccc(CO[N-]C(=O)C2(C)CCCC2)n1 ZINC000912630914 640145994 /nfs/dbraw/zinc/14/59/94/640145994.db2.gz IXXBCVYHGYVYQO-UHFFFAOYSA-N -1 3 248.326 2.518 20 0 BFADHM CCCCCC(=O)[N-]OCCC(F)(F)F ZINC000156959592 640521478 /nfs/dbraw/zinc/52/14/78/640521478.db2.gz DVHCRIRARIWETQ-UHFFFAOYSA-N -1 3 227.226 2.567 20 0 BFADHM CCCCC[C@H](C)CC(=O)[N-]OCC ZINC000173252208 641163580 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234.328 2.615 20 0 BFADHM CC(C)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000095207414 944617712 /nfs/dbraw/zinc/61/77/12/944617712.db2.gz PUWUDIBBMQCQKJ-UHFFFAOYSA-N -1 3 234.328 2.615 20 0 BFADHM CC(C)CCCNc1cccc(-c2nnn[n-]2)c1 ZINC000394100317 944630939 /nfs/dbraw/zinc/63/09/39/944630939.db2.gz UMWVHKFYUWIPGQ-UHFFFAOYSA-N -1 3 245.330 2.715 20 0 BFADHM CC(C)CCCNc1cccc(-c2nn[n-]n2)c1 ZINC000394100317 944630946 /nfs/dbraw/zinc/63/09/46/944630946.db2.gz UMWVHKFYUWIPGQ-UHFFFAOYSA-N -1 3 245.330 2.715 20 0 BFADHM [O-]c1ccc(CN2CCC(F)(F)CC2)cc1F ZINC000404788527 971181760 /nfs/dbraw/zinc/18/17/60/971181760.db2.gz NDGCMDOPBYGVFV-UHFFFAOYSA-N -1 3 245.244 2.762 20 0 BFADHM [O-]c1cccc(O)c1-c1nnc(C2CCCC2)o1 ZINC001257499672 971415442 /nfs/dbraw/zinc/41/54/42/971415442.db2.gz MCLWEPUNRCMEHP-UHFFFAOYSA-N -1 3 246.266 2.805 20 0 BFADHM [O-]c1cccnc1CNc1nccc2ccoc21 ZINC001158771025 971450449 /nfs/dbraw/zinc/45/04/49/971450449.db2.gz QUQQNLMKSWWQCW-UHFFFAOYSA-N -1 3 241.250 2.541 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cccn2cnnc12 ZINC001245049976 971607990 /nfs/dbraw/zinc/60/79/90/971607990.db2.gz ABDYIRDGAKXVOX-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM COc1ccc(-c2c([O-])cccc2F)c(OC)n1 ZINC001245655208 971951244 /nfs/dbraw/zinc/95/12/44/971951244.db2.gz WFSCRLQIMPLGRB-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM CC(=O)c1cccnc1Nc1cc([O-])cc(F)c1 ZINC001206760280 956896322 /nfs/dbraw/zinc/89/63/22/956896322.db2.gz NRQMTUVJWLARHY-UHFFFAOYSA-N -1 3 246.241 2.873 20 0 BFADHM CC[C@H](C)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000315354677 972229900 /nfs/dbraw/zinc/22/99/00/972229900.db2.gz PJNMDOIWVAIOGH-YUMQZZPRSA-N -1 3 242.344 2.538 20 0 BFADHM Cn1nccc1Nc1cccc(Cl)c1[O-] ZINC001210215980 957681526 /nfs/dbraw/zinc/68/15/26/957681526.db2.gz AZTUUFQQQKBOKP-UHFFFAOYSA-N -1 3 223.663 2.523 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCCC23CC3)c([O-])c1 ZINC000706240899 957726301 /nfs/dbraw/zinc/72/63/01/957726301.db2.gz DMPXBPTXQGJBEG-CYBMUJFWSA-N -1 3 245.322 2.763 20 0 BFADHM 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/nfs/dbraw/zinc/91/21/59/979912159.db2.gz FMGSEFMSTJKXFO-UHFFFAOYSA-N -1 3 246.339 2.820 20 0 BFADHM Cc1cc(SC2CCC2)ccc1-c1nn[n-]n1 ZINC001605753400 979912169 /nfs/dbraw/zinc/91/21/69/979912169.db2.gz FMGSEFMSTJKXFO-UHFFFAOYSA-N -1 3 246.339 2.820 20 0 BFADHM C[C@H]1CCC[C@@H](C(=O)Nc2cncc([O-])c2)C1 ZINC001184501972 980095266 /nfs/dbraw/zinc/09/52/66/980095266.db2.gz CVNOZKJEMYQIDS-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM O=C([O-])c1cc(F)ccc1CN1CCC[C@H]2C[C@H]21 ZINC001238240636 980234733 /nfs/dbraw/zinc/23/47/33/980234733.db2.gz FNVPNMOCPUEZBG-TVQRCGJNSA-N -1 3 249.285 2.508 20 0 BFADHM O=C(Nc1ccc(F)c([O-])c1)Nc1ccccn1 ZINC001191333681 981021966 /nfs/dbraw/zinc/02/19/66/981021966.db2.gz ZFCDUJFPVORKDQ-UHFFFAOYSA-N -1 3 247.229 2.570 20 0 BFADHM C[C@@H]1CCN1C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314219 981141770 /nfs/dbraw/zinc/14/17/70/981141770.db2.gz KOMBWDMDUIHSQQ-SNVBAGLBSA-N -1 3 247.338 2.924 20 0 BFADHM CCN(C)C(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192315199 981142420 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LRJBLJNTYJEBST-UHFFFAOYSA-N -1 3 242.307 2.904 20 0 BFADHM Cc1sccc1-c1ccccc1-c1nn[n-]n1 ZINC001240500136 981425171 /nfs/dbraw/zinc/42/51/71/981425171.db2.gz LRJBLJNTYJEBST-UHFFFAOYSA-N -1 3 242.307 2.904 20 0 BFADHM COCc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782749 981818490 /nfs/dbraw/zinc/81/84/90/981818490.db2.gz HPWJGYDRWPDREA-UHFFFAOYSA-N -1 3 233.242 2.740 20 0 BFADHM COc1ccc(-c2ccc([O-])c(F)c2)nc1F ZINC001240787193 981819591 /nfs/dbraw/zinc/81/95/91/981819591.db2.gz QDEPJFXHPHHUNO-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1ccc(-c2ccnc(F)c2F)cc1F ZINC001240786519 981819735 /nfs/dbraw/zinc/81/97/35/981819735.db2.gz LNALCHGNKBRWDC-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM CSc1cccnc1[N-]C(=O)c1occc1C ZINC001583582324 981825246 /nfs/dbraw/zinc/82/52/46/981825246.db2.gz QEOGKDIVZISFQJ-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM Cc1nc2c(-c3ccc([O-])c(F)c3)cccn2n1 ZINC001240785799 981827906 /nfs/dbraw/zinc/82/79/06/981827906.db2.gz OSETYTYCWZQVCA-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM O=C1OCc2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240785855 981829211 /nfs/dbraw/zinc/82/92/11/981829211.db2.gz QPCVJXHKZJMIHG-UHFFFAOYSA-N -1 3 244.221 2.869 20 0 BFADHM Cc1c2nc[nH]c2ncc1-c1ccc([O-])c(F)c1 ZINC001240786836 981832229 /nfs/dbraw/zinc/83/22/29/981832229.db2.gz XOUBJTRGTFDGQK-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM COc1cncc(OC)c1-c1ccc([O-])c(F)c1 ZINC001240787322 981832626 /nfs/dbraw/zinc/83/26/26/981832626.db2.gz XVRDXKFIJYORFG-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM Cc1c(-c2ccc([O-])c(F)c2)ccc2ncnn21 ZINC001240787183 981833294 /nfs/dbraw/zinc/83/32/94/981833294.db2.gz PSRYGCZHRMDABH-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM CC[C@@H](C)COC(=O)[N-]C1=NCC(=O)C=C1C ZINC001194762731 981892581 /nfs/dbraw/zinc/89/25/81/981892581.db2.gz ZOBLOYGLVARQCE-MRVPVSSYSA-N -1 3 238.287 2.690 20 0 BFADHM CC[C@H](C)COC(=O)Nc1nc(C)ccc1[O-] ZINC001194763632 981892796 /nfs/dbraw/zinc/89/27/96/981892796.db2.gz PHEUZSPXYQPNHV-QMMMGPOBSA-N -1 3 238.287 2.690 20 0 BFADHM CC[C@H](C)COC(=O)[N-]C1=NCC(=O)C=C1C ZINC001194762732 981893087 /nfs/dbraw/zinc/89/30/87/981893087.db2.gz ZOBLOYGLVARQCE-QMMMGPOBSA-N -1 3 238.287 2.690 20 0 BFADHM Cc1cccc(-c2ccc([O-])cc2F)n1 ZINC001250601218 981911184 /nfs/dbraw/zinc/91/11/84/981911184.db2.gz CDMJDSXLSUGFBS-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM CC1=CC(=O)CN=C1[N-]C(=O)OCCC(C)C ZINC001194843648 981955969 /nfs/dbraw/zinc/95/59/69/981955969.db2.gz LDCHYKHVWKIYQP-UHFFFAOYSA-N -1 3 238.287 2.690 20 0 BFADHM [O-]c1ccccc1-c1ncnc2ccoc21 ZINC001241002038 982086006 /nfs/dbraw/zinc/08/60/06/982086006.db2.gz QAHSLSNPZFGVNE-UHFFFAOYSA-N -1 3 212.208 2.595 20 0 BFADHM [O-]c1ccccc1-c1ccc(C(F)(F)F)nn1 ZINC001241001784 982087010 /nfs/dbraw/zinc/08/70/10/982087010.db2.gz GZLZONNOHBWKCF-UHFFFAOYSA-N -1 3 240.184 2.868 20 0 BFADHM Cc1cc2c(ncnc2-c2ccccc2[O-])[nH]1 ZINC001241002059 982087840 /nfs/dbraw/zinc/08/78/40/982087840.db2.gz QRYDBXOQPXEXEI-UHFFFAOYSA-N -1 3 225.251 2.639 20 0 BFADHM COC(=O)c1cc(C)cc(-c2ccccc2[O-])n1 ZINC001241003421 982089233 /nfs/dbraw/zinc/08/92/33/982089233.db2.gz LWIAWAAONONKIB-UHFFFAOYSA-N -1 3 243.262 2.549 20 0 BFADHM Cc1nc2cccnc2c(-c2ccccc2[O-])n1 ZINC001241007468 982097599 /nfs/dbraw/zinc/09/75/99/982097599.db2.gz CLOMLHGGPIXTFI-UHFFFAOYSA-N -1 3 237.262 2.706 20 0 BFADHM CC[C@H](C)OC(=O)Nc1cc(F)ccc1[O-] ZINC001195118420 982097678 /nfs/dbraw/zinc/09/76/78/982097678.db2.gz ZJOOVURDIYTPAS-ZETCQYMHSA-N -1 3 227.235 2.878 20 0 BFADHM [O-]c1ccccc1-c1ncc(F)c2nccnc21 ZINC001241009140 982101353 /nfs/dbraw/zinc/10/13/53/982101353.db2.gz ZVMGSCGTMAUETA-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1ccccc1-c1cc(C2CC2)ncn1 ZINC001241009756 982102426 /nfs/dbraw/zinc/10/24/26/982102426.db2.gz VZPOEQCWERGWCR-UHFFFAOYSA-N -1 3 212.252 2.727 20 0 BFADHM Cc1nc(N)ccc1-c1c(F)cc([O-])cc1F ZINC001241121455 982245119 /nfs/dbraw/zinc/24/51/19/982245119.db2.gz KPPZPMIRFMICQZ-UHFFFAOYSA-N -1 3 236.221 2.623 20 0 BFADHM [O-]c1cc(F)cc(-c2cnc3ncccc3n2)c1 ZINC001241256416 982394688 /nfs/dbraw/zinc/39/46/88/982394688.db2.gz VCUPHWUKNQFOGG-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1cc(F)cc(-c2ccc(F)cn2)c1 ZINC001241258336 982395823 /nfs/dbraw/zinc/39/58/23/982395823.db2.gz ZJUMNWDTNHHZBN-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM [O-]c1cc(F)cc(-c2cc(C3CC3)ncn2)c1 ZINC001241261196 982397616 /nfs/dbraw/zinc/39/76/16/982397616.db2.gz GUWNFNHTURMLCW-UHFFFAOYSA-N -1 3 230.242 2.866 20 0 BFADHM COc1cnc(F)c(-c2cc([O-])cc(F)c2)c1 ZINC001241267020 982403097 /nfs/dbraw/zinc/40/30/97/982403097.db2.gz RMCMEQQMZZQHDS-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Cc1cn2cc(-c3cc([O-])cc(F)c3)ncc2n1 ZINC001241272388 982404764 /nfs/dbraw/zinc/40/47/64/982404764.db2.gz PTCLQUOYLZTTKT-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM NC(=S)c1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241276888 982408166 /nfs/dbraw/zinc/40/81/66/982408166.db2.gz CRPVWBMJFUDFKI-UHFFFAOYSA-N -1 3 247.294 2.833 20 0 BFADHM [O-]c1cc(F)cc(-c2ccnc3c2CCN3)c1 ZINC001241282534 982427502 /nfs/dbraw/zinc/42/75/02/982427502.db2.gz LVCYVQQLJDTZCF-UHFFFAOYSA-N -1 3 230.242 2.561 20 0 BFADHM CC(C)Oc1ncc(-c2cc([O-])cc(F)c2)cn1 ZINC001241283100 982430202 /nfs/dbraw/zinc/43/02/02/982430202.db2.gz RFZKZRNQEIJWOI-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM COc1cnccc1-c1c(F)ccc([O-])c1F ZINC001241292948 982431950 /nfs/dbraw/zinc/43/19/50/982431950.db2.gz ONZYDNDRXFSAJD-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM COc1ccncc1-c1c(F)ccc([O-])c1F ZINC001241292936 982433348 /nfs/dbraw/zinc/43/33/48/982433348.db2.gz OGEMDDAKVRRQBF-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1ccc(F)c(-c2cnccc2F)c1F ZINC001241292440 982433786 /nfs/dbraw/zinc/43/37/86/982433786.db2.gz FHXNWNZPFSGZJL-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM COc1cncc(-c2c(F)ccc([O-])c2F)c1 ZINC001241292891 982435916 /nfs/dbraw/zinc/43/59/16/982435916.db2.gz LYTGNYSOPBIQJL-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Nc1ccc(-c2c(F)ccc([O-])c2F)cc1 ZINC001241293926 982440129 /nfs/dbraw/zinc/44/01/29/982440129.db2.gz RGTVOYARIWAXSO-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM CN1CC=C(c2ccccc2[S-])CC1 ZINC001241319613 982479939 /nfs/dbraw/zinc/47/99/39/982479939.db2.gz NWSZIIZMESJWNY-UHFFFAOYSA-N -1 3 205.326 2.694 20 0 BFADHM Cc1c2c[nH]nc2ccc1-c1ccc(=S)[n-]n1 ZINC001241473299 982631007 /nfs/dbraw/zinc/63/10/07/982631007.db2.gz LWBHXNYYEIXNGC-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM CC(C)=CCOc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001589379578 982749433 /nfs/dbraw/zinc/74/94/33/982749433.db2.gz SMXVJSRQGYAEAP-UHFFFAOYSA-N -1 3 244.298 2.520 20 0 BFADHM CN1CCC=C(c2ccc3oc(=S)[n-]c3c2)C1 ZINC001241569979 982818363 /nfs/dbraw/zinc/81/83/63/982818363.db2.gz BVSLPYCFQUXIMR-UHFFFAOYSA-N -1 3 246.335 2.835 20 0 BFADHM CN1CCC=C(c2ccc([S-])c(F)c2)C1 ZINC001241570680 982822319 /nfs/dbraw/zinc/82/23/19/982822319.db2.gz MVGQRJXPYVGCNN-UHFFFAOYSA-N -1 3 223.316 2.833 20 0 BFADHM Cc1[nH]nc2cc(-c3ccc(=S)[n-]n3)ccc12 ZINC001241639122 982876777 /nfs/dbraw/zinc/87/67/77/982876777.db2.gz TZJRKPJCGGIZKH-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM Cc1n[nH]c2cc(-c3ccc(=S)[n-]n3)ccc12 ZINC001241639122 982876781 /nfs/dbraw/zinc/87/67/81/982876781.db2.gz TZJRKPJCGGIZKH-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM CCCCCNc1cc(F)ccc1-c1nnn[n-]1 ZINC001590597603 982960621 /nfs/dbraw/zinc/96/06/21/982960621.db2.gz YECNYQUMHOYBSX-UHFFFAOYSA-N -1 3 249.293 2.608 20 0 BFADHM CCCCCNc1cc(F)ccc1-c1nn[n-]n1 ZINC001590597603 982960631 /nfs/dbraw/zinc/96/06/31/982960631.db2.gz YECNYQUMHOYBSX-UHFFFAOYSA-N -1 3 249.293 2.608 20 0 BFADHM CCCSCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590651617 982971637 /nfs/dbraw/zinc/97/16/37/982971637.db2.gz DDIJEHBMFWGHCX-UHFFFAOYSA-N -1 3 248.355 2.818 20 0 BFADHM CCCSCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590651617 982971660 /nfs/dbraw/zinc/97/16/60/982971660.db2.gz DDIJEHBMFWGHCX-UHFFFAOYSA-N -1 3 248.355 2.818 20 0 BFADHM O=C(Nc1cc([O-])cc(Cl)c1)C1=CC=CC1 ZINC001199694718 982998182 /nfs/dbraw/zinc/99/81/82/982998182.db2.gz YHDZWTNQEUOFDL-UHFFFAOYSA-N -1 3 235.670 2.870 20 0 BFADHM 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COc1nc(C)ccc1-c1c([O-])cccc1F ZINC001245654331 987025321 /nfs/dbraw/zinc/02/53/21/987025321.db2.gz CNNOGIILPIPGEC-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1cccc(F)c1-c1ccnc(F)c1 ZINC001245652924 987027049 /nfs/dbraw/zinc/02/70/49/987027049.db2.gz DTHYRWDSLJFJDL-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM Cc1cnccc1-c1c([O-])cccc1F ZINC001245655317 987030664 /nfs/dbraw/zinc/03/06/64/987030664.db2.gz YOCOQNTVAWTGHP-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM CC(=O)Nc1cc(-c2c([O-])cccc2F)ccn1 ZINC001245656321 987036002 /nfs/dbraw/zinc/03/60/02/987036002.db2.gz KLZAHWRCPZXPAC-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM [O-]c1cccc(F)c1-c1ccnc2c1CCN2 ZINC001245658057 987044061 /nfs/dbraw/zinc/04/40/61/987044061.db2.gz YMCVRMZZLNOUGM-UHFFFAOYSA-N -1 3 230.242 2.561 20 0 BFADHM CC(C)Oc1ncc(-c2c([O-])cccc2F)cn1 ZINC001245658046 987045841 /nfs/dbraw/zinc/04/58/41/987045841.db2.gz XWGASOCQFQLJNA-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM [O-]c1cccc(F)c1-c1cc(F)c2nccn2c1 ZINC001245657419 987045995 /nfs/dbraw/zinc/04/59/95/987045995.db2.gz MKMJYISIXFWNOB-UHFFFAOYSA-N -1 3 246.216 2.985 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC(C1CC1)C1CC1 ZINC001117763441 987898456 /nfs/dbraw/zinc/89/84/56/987898456.db2.gz JTYMMZCPWQFFQH-SNVBAGLBSA-N -1 3 239.359 2.907 20 0 BFADHM C[C@H]1CCN(Cc2ccc([O-])c(F)c2)C[C@H]1F ZINC001120038846 989570762 /nfs/dbraw/zinc/57/07/62/989570762.db2.gz ZGBQZXBOXBUOMH-JOYOIKCWSA-N -1 3 241.281 2.711 20 0 BFADHM O=C([N-]c1ccsn1)c1nc(Cl)cs1 ZINC001536163075 990480016 /nfs/dbraw/zinc/48/00/16/990480016.db2.gz MKFWSNJSASLNOR-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM [O-]c1cncc(-c2nnc(CC3CCCC3)o2)c1 ZINC001258665501 991605917 /nfs/dbraw/zinc/60/59/17/991605917.db2.gz MCZKPRNTYGUFAA-UHFFFAOYSA-N -1 3 245.282 2.570 20 0 BFADHM O=c1[n-]cncc1Nc1cccc(Cl)c1F ZINC001203034479 991638149 /nfs/dbraw/zinc/63/81/49/991638149.db2.gz MNHDZALIBDTQLJ-UHFFFAOYSA-N -1 3 239.637 2.718 20 0 BFADHM CC(C)[C@H]1CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001591094075 991668542 /nfs/dbraw/zinc/66/85/42/991668542.db2.gz GTZCZAHYMYBQCG-URWSZGRFSA-N -1 3 249.310 2.608 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001591094074 991668731 /nfs/dbraw/zinc/66/87/31/991668731.db2.gz GTZCZAHYMYBQCG-SZZPACECSA-N -1 3 249.310 2.608 20 0 BFADHM CC[C@H](CC(=O)[N-]OCCSC)C(C)(C)C ZINC001568543723 992184386 /nfs/dbraw/zinc/18/43/86/992184386.db2.gz LFVYOHMNIITVJN-SNVBAGLBSA-N -1 3 247.404 2.860 20 0 BFADHM CC[C@@H](CC(=O)[N-]OCCSC)C(C)(C)C ZINC001568543722 992184988 /nfs/dbraw/zinc/18/49/88/992184988.db2.gz LFVYOHMNIITVJN-JTQLQIEISA-N -1 3 247.404 2.860 20 0 BFADHM Cc1cc(CN2CCCC2(C)C)oc1C(=O)[O-] ZINC000063067597 349506015 /nfs/dbraw/zinc/50/60/15/349506015.db2.gz CGIWAOKUMBBWHA-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1[O-] ZINC000399523523 398169498 /nfs/dbraw/zinc/16/94/98/398169498.db2.gz DJPBGQDTJGYSMF-SDDRHHMPSA-N -1 3 247.338 2.817 20 0 BFADHM O=C(CCC1CCC1)Nc1ccccc1[O-] ZINC000175007751 365525291 /nfs/dbraw/zinc/52/52/91/365525291.db2.gz FJQUYSUVJISGHY-UHFFFAOYSA-N -1 3 219.284 2.911 20 0 BFADHM Cc1cc(F)cc(NC([O-])=NOC(C)C)c1 ZINC000297044486 178078518 /nfs/dbraw/zinc/07/85/18/178078518.db2.gz KOYIZGTWMITMEV-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cc(F)cc(NC(=O)[N-]OC(C)C)c1 ZINC000297044486 178078519 /nfs/dbraw/zinc/07/85/19/178078519.db2.gz KOYIZGTWMITMEV-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1oc(CN(C)[C@H]2C=CCCC2)cc1C(=O)[O-] ZINC000576233908 365532320 /nfs/dbraw/zinc/53/23/20/365532320.db2.gz NTFZXEANNGMRKP-NSHDSACASA-N -1 3 249.310 2.827 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)SCC2CC2)n1 ZINC000291592319 178202620 /nfs/dbraw/zinc/20/26/20/178202620.db2.gz QADNWLYASJMRRE-MRVPVSSYSA-N -1 3 224.329 2.695 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000177912394 178202680 /nfs/dbraw/zinc/20/26/80/178202680.db2.gz IRSIBBJJBFRDAY-UMNHJUIQSA-N -1 3 249.358 2.530 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000177912408 178203721 /nfs/dbraw/zinc/20/37/21/178203721.db2.gz IRSIBBJJBFRDAY-JBLDHEPKSA-N -1 3 249.358 2.530 20 0 BFADHM CC[C@@H](C)CNCc1c(F)ccc([O-])c1F ZINC000421372259 192335739 /nfs/dbraw/zinc/33/57/39/192335739.db2.gz FKCQGLDILTWLTJ-MRVPVSSYSA-N -1 3 229.270 2.806 20 0 BFADHM C[C@@H]1CC[C@H](C)N1Cc1csc(C(=O)[O-])c1 ZINC000576592431 365633112 /nfs/dbraw/zinc/63/31/12/365633112.db2.gz ZNJLEQNVOYLXES-DTORHVGOSA-N -1 3 239.340 2.819 20 0 BFADHM Cc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1 ZINC000339114921 178356207 /nfs/dbraw/zinc/35/62/07/178356207.db2.gz ILXKMQWCJNQCNZ-BQYQJAHWSA-N -1 3 226.279 2.969 20 0 BFADHM Cc1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1C ZINC000266560730 178383788 /nfs/dbraw/zinc/38/37/88/178383788.db2.gz QINGMPTUDVGCLP-UHFFFAOYSA-N -1 3 247.338 2.881 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1C ZINC000048379365 178387304 /nfs/dbraw/zinc/38/73/04/178387304.db2.gz BGCCVGNBAOODKI-SNVBAGLBSA-N -1 3 247.338 2.881 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H](C)C2)c([O-])c1 ZINC000019837478 178388289 /nfs/dbraw/zinc/38/82/89/178388289.db2.gz VNIRYRTVSXXFRB-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1C ZINC000267834920 178388593 /nfs/dbraw/zinc/38/85/93/178388593.db2.gz LKHVZBLTMIZYEP-JTQLQIEISA-N -1 3 233.311 2.634 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1C ZINC000267834922 178390623 /nfs/dbraw/zinc/39/06/23/178390623.db2.gz LKHVZBLTMIZYEP-SNVBAGLBSA-N -1 3 233.311 2.634 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H]2C)c([O-])c1C ZINC000267908364 178395969 /nfs/dbraw/zinc/39/59/69/178395969.db2.gz XJKRDROITYUYRU-ZYHUDNBSSA-N -1 3 247.338 2.880 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c([O-])c1 ZINC000088707519 178399825 /nfs/dbraw/zinc/39/98/25/178399825.db2.gz LYDCPCWKLUXOEV-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM CC(C)(C)CC(=O)Nc1cccc([O-])c1F ZINC000129475772 323008608 /nfs/dbraw/zinc/00/86/08/323008608.db2.gz VUIJXJXXJMAIQL-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM Cc1cccc(C(=O)NC[C@H](C)C(C)C)c1[O-] ZINC000081066941 342746580 /nfs/dbraw/zinc/74/65/80/342746580.db2.gz RVDWPELKHXVODA-NSHDSACASA-N -1 3 235.327 2.723 20 0 BFADHM CC(C)C1CCN(c2ccncc2C(=O)[O-])CC1 ZINC000232546809 342856562 /nfs/dbraw/zinc/85/65/62/342856562.db2.gz NKCVDCPDSYZXJW-UHFFFAOYSA-N -1 3 248.326 2.652 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC(C)(C)CC1 ZINC000625127438 342881261 /nfs/dbraw/zinc/88/12/61/342881261.db2.gz LTASVUFHNVLAOH-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCc1[n-]n(CC(C)(C)C)c(=O)c1C(C)C ZINC000634588389 342934265 /nfs/dbraw/zinc/93/42/65/342934265.db2.gz RBHYQIJAVVJXIT-LLVKDONJSA-N -1 3 224.348 2.913 20 0 BFADHM Cc1[n-]n(Cc2ccc(C)cc2)c(=O)c1C1CC1 ZINC000634589454 342935809 /nfs/dbraw/zinc/93/58/09/342935809.db2.gz YXRHVVIIKJIAHU-CQSZACIVSA-N -1 3 242.322 2.739 20 0 BFADHM COCc1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000113725596 398333124 /nfs/dbraw/zinc/33/31/24/398333124.db2.gz QWPHNBGUZDCDAS-UHFFFAOYSA-N -1 3 248.069 2.518 20 0 BFADHM CCCn1[n-]c(-c2ccccc2)c(CC)c1=O ZINC000634592950 342946814 /nfs/dbraw/zinc/94/68/14/342946814.db2.gz ZYRQWJJLRFSEIQ-LBPRGKRZSA-N -1 3 230.311 2.669 20 0 BFADHM Cc1[n-]n(C2CCCCC2)c(=O)c1C1CC1 ZINC000634594569 342952855 /nfs/dbraw/zinc/95/28/55/342952855.db2.gz ZZJPFKJGLJADDK-GFCCVEGCSA-N -1 3 220.316 2.563 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCC(C)CC3)c(=O)c21 ZINC000634599554 342988460 /nfs/dbraw/zinc/98/84/60/342988460.db2.gz LBHKWLNVYHIOAH-SPGNQXPMSA-N -1 3 234.343 2.809 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042435341 342996671 /nfs/dbraw/zinc/99/66/71/342996671.db2.gz ILQZPMMWIFCCPR-KOLCDFICSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cccc(Cn2[n-]c3c(c2=O)[C@H](C)CC3)c1 ZINC000634604516 342998618 /nfs/dbraw/zinc/99/86/18/342998618.db2.gz IVDVUYNLVWJXQT-RISCZKNCSA-N -1 3 242.322 2.739 20 0 BFADHM CC(C)c1c(-c2ccccc2)[n-]n(C2CC2)c1=O ZINC000634618269 343016108 /nfs/dbraw/zinc/01/61/08/343016108.db2.gz LLWFIMDOTNLZOC-ZDUSSCGKSA-N -1 3 242.322 2.668 20 0 BFADHM C[C@@H]1CCc2[n-]n(CCC(C)(C)C)c(=O)c21 ZINC000634620752 343019691 /nfs/dbraw/zinc/01/96/91/343019691.db2.gz OEAAMGRBXRLGSO-KOLCDFICSA-N -1 3 222.332 2.667 20 0 BFADHM CC(C)=CCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212045554 343021447 /nfs/dbraw/zinc/02/14/47/343021447.db2.gz MLMYGIXVAMLLLV-UHFFFAOYSA-N -1 3 245.322 2.709 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCC3(C)C)c(=O)c21 ZINC000634626221 343031049 /nfs/dbraw/zinc/03/10/49/343031049.db2.gz ZUCSDKVFYRFKDM-JLLWLGSASA-N -1 3 234.343 2.809 20 0 BFADHM O=C([N-]c1cccc(F)c1F)c1nccs1 ZINC000683564552 488197091 /nfs/dbraw/zinc/19/70/91/488197091.db2.gz IPRWLEPYFYIMQX-UHFFFAOYSA-N -1 3 240.234 2.674 20 0 BFADHM Cc1c2occ([O-])c2ccc1OCC(C)C ZINC000634560241 362049039 /nfs/dbraw/zinc/04/90/39/362049039.db2.gz BKKTVANSAGBCQX-UHFFFAOYSA-N -1 3 220.268 2.605 20 0 BFADHM Cc1cc(OCCCCF)cc2occ([O-])c21 ZINC000634560986 362050058 /nfs/dbraw/zinc/05/00/58/362050058.db2.gz GRPTVPXSQLPSGU-UHFFFAOYSA-N -1 3 238.258 2.699 20 0 BFADHM CCCCN(Cc1ccc(C(=O)[O-])cn1)C1CC1 ZINC000094762400 343157049 /nfs/dbraw/zinc/15/70/49/343157049.db2.gz NDKDQNWEZUFTTJ-UHFFFAOYSA-N -1 3 248.326 2.544 20 0 BFADHM O=C([O-])c1cccc2c1CCN(CCC1CC1)C2 ZINC000124573778 343163318 /nfs/dbraw/zinc/16/33/18/343163318.db2.gz DHGSZCGJHSGBAE-UHFFFAOYSA-N -1 3 245.322 2.543 20 0 BFADHM Cc1cc(CN2C[C@@H]3CCC[C@@H]3C2)oc1C(=O)[O-] ZINC000159988015 343203124 /nfs/dbraw/zinc/20/31/24/343203124.db2.gz GAIYIXVOSAKNCK-PHIMTYICSA-N -1 3 249.310 2.518 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000035239096 343290831 /nfs/dbraw/zinc/29/08/31/343290831.db2.gz LBWWFFJCFIZSRM-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000036170141 343311729 /nfs/dbraw/zinc/31/17/29/343311729.db2.gz HRGMTFMHOAZCFD-NSHDSACASA-N -1 3 233.311 2.654 20 0 BFADHM Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C)c([O-])c1 ZINC000335673460 136317339 /nfs/dbraw/zinc/31/73/39/136317339.db2.gz IKWVSECLESTISU-ZJUUUORDSA-N -1 3 219.284 2.685 20 0 BFADHM [O-]c1cc(F)cc(CN2CCC[C@@H]2C(F)F)c1 ZINC000335724457 136346665 /nfs/dbraw/zinc/34/66/65/136346665.db2.gz TZNZMDBHVCASIT-LLVKDONJSA-N -1 3 245.244 2.761 20 0 BFADHM CCC1CCN(C(=O)c2ccc(C)cc2[O-])CC1 ZINC000042355865 343434884 /nfs/dbraw/zinc/43/48/84/343434884.db2.gz OOEFNCCBWMXVEK-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC1(C)CC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000166992604 136367532 /nfs/dbraw/zinc/36/75/32/136367532.db2.gz KCPDEBOFZFBDDG-LLVKDONJSA-N -1 3 233.311 2.701 20 0 BFADHM CC[C@@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000177917737 346942199 /nfs/dbraw/zinc/94/21/99/346942199.db2.gz UROIQQBCPBPILB-NWDGAFQWSA-N -1 3 249.358 2.674 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185917312 343473028 /nfs/dbraw/zinc/47/30/28/343473028.db2.gz SOBDUVSATZSDNC-GHMZBOCLSA-N -1 3 233.311 2.931 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000616725421 343552935 /nfs/dbraw/zinc/55/29/35/343552935.db2.gz VPKKZQZUDMQRTA-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000616729313 343555308 /nfs/dbraw/zinc/55/53/08/343555308.db2.gz CWJUFGVQFWFSSP-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000616729521 343555494 /nfs/dbraw/zinc/55/54/94/343555494.db2.gz MMPDYIKLMSVECC-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC2(CC2)CC1 ZINC000625447612 343772057 /nfs/dbraw/zinc/77/20/57/343772057.db2.gz ZXGBNAOLCCYIJH-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1c(C)cccc1[O-] ZINC000625463093 343866465 /nfs/dbraw/zinc/86/64/65/343866465.db2.gz AAIHQSNROWBBOW-JTQLQIEISA-N -1 3 235.327 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@H]1C ZINC000625763656 344067715 /nfs/dbraw/zinc/06/77/15/344067715.db2.gz QUWJAILZXHQXNG-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H]1C ZINC000625763659 344067796 /nfs/dbraw/zinc/06/77/96/344067796.db2.gz QUWJAILZXHQXNG-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000625763662 344067875 /nfs/dbraw/zinc/06/78/75/344067875.db2.gz QUWJAILZXHQXNG-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C1CC1 ZINC000625793922 344076834 /nfs/dbraw/zinc/07/68/34/344076834.db2.gz GBTGGLVLTCJFDQ-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CCc1cccc(C(=O)N2CCC(C)(C)C2)c1[O-] ZINC000081793011 344148549 /nfs/dbraw/zinc/14/85/49/344148549.db2.gz BJVOBNCVNIVTPS-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H](C(C)C)C1CC1 ZINC000628137026 344213782 /nfs/dbraw/zinc/21/37/82/344213782.db2.gz UQEGZEJYPIKWQR-AWEZNQCLSA-N -1 3 247.338 2.865 20 0 BFADHM COc1cc(C)cc(-c2nc(C(C)C)no2)c1[O-] ZINC000130876279 344204944 /nfs/dbraw/zinc/20/49/44/344204944.db2.gz PNVKTKLJTKAQRY-UHFFFAOYSA-N -1 3 248.282 2.883 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000626077082 344723677 /nfs/dbraw/zinc/72/36/77/344723677.db2.gz CNTWCKJCLOXSFN-PHIMTYICSA-N -1 3 233.311 2.714 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)C2)c1 ZINC000075411917 344770737 /nfs/dbraw/zinc/77/07/37/344770737.db2.gz OQKVONAVPRLLFG-PHIMTYICSA-N -1 3 247.338 2.683 20 0 BFADHM CCc1cccc(C(=O)Nc2ccncc2)c1[O-] ZINC000081932390 345504270 /nfs/dbraw/zinc/50/42/70/345504270.db2.gz XLMNHGRCXVWYDU-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)C1CCC1 ZINC000082879746 345789673 /nfs/dbraw/zinc/78/96/73/345789673.db2.gz CSWPQQZNEZTNOR-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM Cc1cccc(-c2nc([C@@H]3CCCO3)no2)c1[O-] ZINC000087803790 178996831 /nfs/dbraw/zinc/99/68/31/178996831.db2.gz OPQNSDCLXRJAIF-JTQLQIEISA-N -1 3 246.266 2.602 20 0 BFADHM Cc1cccc(C(=O)N(C)CC(C)(C)C)c1[O-] ZINC000045089495 179004326 /nfs/dbraw/zinc/00/43/26/179004326.db2.gz RDOGEADNQUAADG-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1cccc(C(=O)N(C)C2CCCC2)c1[O-] ZINC000037022470 179004457 /nfs/dbraw/zinc/00/44/57/179004457.db2.gz APCYTQBHTRYJJF-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H](C)C2(C)CC2)c1[O-] ZINC000175565716 179004954 /nfs/dbraw/zinc/00/49/54/179004954.db2.gz SSOKSZCBWVHUSK-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H]2CC2(C)C)c1[O-] ZINC000336321333 179005524 /nfs/dbraw/zinc/00/55/24/179005524.db2.gz FITAAZXRLYFALF-LLVKDONJSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@H]2C)c1[O-] ZINC000177092359 179011720 /nfs/dbraw/zinc/01/17/20/179011720.db2.gz DEEVLWVGTMENLG-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CC=CCC2)c1[O-] ZINC000080110265 179021251 /nfs/dbraw/zinc/02/12/51/179021251.db2.gz QNDDWRTXQMIRNY-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1cccc(C)c1CC[N-]C(=O)C(F)(F)F ZINC000269029608 179033812 /nfs/dbraw/zinc/03/38/12/179033812.db2.gz TUSIGIRAWGBACG-UHFFFAOYSA-N -1 3 245.244 2.524 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C(C)C)C1CC1 ZINC000574921724 346416614 /nfs/dbraw/zinc/41/66/14/346416614.db2.gz LZKUHHXZDXDIDK-UHFFFAOYSA-N -1 3 237.299 2.659 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1(CCF)CC1 ZINC000291581455 179160068 /nfs/dbraw/zinc/16/00/68/179160068.db2.gz CHOAQHGUSSDLAK-UHFFFAOYSA-N -1 3 237.274 2.779 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1CCCC1 ZINC000271349565 179161201 /nfs/dbraw/zinc/16/12/01/179161201.db2.gz OIIGUNDXZUGPJR-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(C)(C)O1 ZINC000279856649 179161209 /nfs/dbraw/zinc/16/12/09/179161209.db2.gz MHRCNFRHWNFGRL-LLVKDONJSA-N -1 3 249.310 2.597 20 0 BFADHM CCCCN(C)Cc1cc(C(=O)[O-])sc1C ZINC000087794332 362788473 /nfs/dbraw/zinc/78/84/73/362788473.db2.gz LALIBEWQHBKPJQ-UHFFFAOYSA-N -1 3 241.356 2.987 20 0 BFADHM O=C(CCC1CCCC1)Nc1ncccc1[O-] ZINC000021901769 347599556 /nfs/dbraw/zinc/59/95/56/347599556.db2.gz NLSFWCXHUUTSLQ-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM O=C([N-]c1cc(Cl)ccc1F)c1cocn1 ZINC000591116032 347621806 /nfs/dbraw/zinc/62/18/06/347621806.db2.gz BWRFWDBCDRTRBS-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OCC1CC1 ZINC000293735784 179316522 /nfs/dbraw/zinc/31/65/22/179316522.db2.gz IGXZHIZXJSWXKN-LBPRGKRZSA-N -1 3 247.338 2.946 20 0 BFADHM CC(C)(CF)NCc1cccc([O-])c1Cl ZINC000339355672 187394865 /nfs/dbraw/zinc/39/48/65/187394865.db2.gz LDZHNQKDGFECPH-UHFFFAOYSA-N -1 3 231.698 2.883 20 0 BFADHM CCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419391083 192130599 /nfs/dbraw/zinc/13/05/99/192130599.db2.gz QRTDEIWZWRZGQO-UHFFFAOYSA-N -1 3 224.329 2.703 20 0 BFADHM C/C=C\CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419410192 192131614 /nfs/dbraw/zinc/13/16/14/192131614.db2.gz OFCVVFUXPPMFTF-IHWYPQMZSA-N -1 3 236.340 2.869 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421746749 192378786 /nfs/dbraw/zinc/37/87/86/192378786.db2.gz FAIYALMLSPASLJ-GMTAPVOTSA-N -1 3 231.295 2.767 20 0 BFADHM CC(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000037265450 323207048 /nfs/dbraw/zinc/20/70/48/323207048.db2.gz CAJQVQRKJMSQLN-SNVBAGLBSA-N -1 3 221.300 2.557 20 0 BFADHM C[C@H](c1ccccc1F)N(C)C[C@H](C)C(=O)[O-] ZINC000251149673 349183079 /nfs/dbraw/zinc/18/30/79/349183079.db2.gz XZZQWRVFKBZISP-VHSXEESVSA-N -1 3 239.290 2.539 20 0 BFADHM CC[C@H]1CCN([C@H](C)c2ccc(C(=O)[O-])o2)C1 ZINC000252878995 349221334 /nfs/dbraw/zinc/22/13/34/349221334.db2.gz XMQOVNGBMAHRNO-ZJUUUORDSA-N -1 3 237.299 2.771 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCC1(C2CC2)CC1 ZINC000626244974 349416893 /nfs/dbraw/zinc/41/68/93/349416893.db2.gz QSNHQKSQZNGOHA-UHFFFAOYSA-N -1 3 245.322 2.621 20 0 BFADHM Cc1nc2cc(NC([O-])=NOC(C)C)ccc2o1 ZINC000296889885 180082029 /nfs/dbraw/zinc/08/20/29/180082029.db2.gz BIEWDMINUYLQIG-UHFFFAOYSA-N -1 3 249.270 2.598 20 0 BFADHM Cc1nc2cc(NC(=O)[N-]OC(C)C)ccc2o1 ZINC000296889885 180082033 /nfs/dbraw/zinc/08/20/33/180082033.db2.gz BIEWDMINUYLQIG-UHFFFAOYSA-N -1 3 249.270 2.598 20 0 BFADHM C/C=C/CSCc1nc(CC)cc(=O)[n-]1 ZINC000125654848 191080614 /nfs/dbraw/zinc/08/06/14/191080614.db2.gz YKEZWPYFYSMXMC-HWKANZROSA-N -1 3 224.329 2.554 20 0 BFADHM C[C@H]1CC2(CCC2)CN1Cc1ccoc1C(=O)[O-] ZINC000580336223 350508967 /nfs/dbraw/zinc/50/89/67/350508967.db2.gz CYBVLIVFTURRMG-JTQLQIEISA-N -1 3 249.310 2.742 20 0 BFADHM CC(C)CN(C)C(=O)c1cc([O-])ccc1Cl ZINC000232585913 350661161 /nfs/dbraw/zinc/66/11/61/350661161.db2.gz IUOBWVYYEDTXIZ-UHFFFAOYSA-N -1 3 241.718 2.774 20 0 BFADHM CC1(C)CCC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000339658191 350772252 /nfs/dbraw/zinc/77/22/52/350772252.db2.gz RYKZSVORVPSULL-SNVBAGLBSA-N -1 3 248.326 2.942 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1CC2(CC2)C1 ZINC000613330321 363112039 /nfs/dbraw/zinc/11/20/39/363112039.db2.gz FZPDXDSOXWKXRQ-UHFFFAOYSA-N -1 3 235.258 2.660 20 0 BFADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@@H]1C1CC1 ZINC000291889861 352293326 /nfs/dbraw/zinc/29/33/26/352293326.db2.gz JKSADDGNXSTGBH-CYBMUJFWSA-N -1 3 245.322 2.653 20 0 BFADHM CC(C)CN(C)Cc1c(F)ccc([O-])c1F ZINC000294878827 352387025 /nfs/dbraw/zinc/38/70/25/352387025.db2.gz KUNXJKNQCOLNFN-UHFFFAOYSA-N -1 3 229.270 2.758 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000232385369 352646765 /nfs/dbraw/zinc/64/67/65/352646765.db2.gz BLWYGXWVYWZSLR-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])C(F)(F)F ZINC000334245409 352835406 /nfs/dbraw/zinc/83/54/06/352835406.db2.gz SUDJVIUTUGOYTA-ZCFIWIBFSA-N -1 3 233.189 2.529 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CC[C@@H](C)C2)c1 ZINC000334248341 352840523 /nfs/dbraw/zinc/84/05/23/352840523.db2.gz XHRPRRHHYZEHPV-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM [O-]c1ccc(F)c(CNc2ccccn2)c1F ZINC000334418480 353102213 /nfs/dbraw/zinc/10/22/13/353102213.db2.gz YPJOHCWXTLTJCW-UHFFFAOYSA-N -1 3 236.221 2.678 20 0 BFADHM Cc1cccc(C(=O)Nc2ncccc2[O-])c1C ZINC000071812353 188086230 /nfs/dbraw/zinc/08/62/30/188086230.db2.gz QOXSNGSOEOZGRT-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000082644351 188139260 /nfs/dbraw/zinc/13/92/60/188139260.db2.gz UBKZTJLXLMIPQH-UHFFFAOYSA-N -1 3 218.256 2.740 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cccc(F)c1 ZINC000123360590 188154598 /nfs/dbraw/zinc/15/45/98/188154598.db2.gz GVZFOUGEMUPULU-UHFFFAOYSA-N -1 3 226.251 2.535 20 0 BFADHM CC(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000174065742 188163141 /nfs/dbraw/zinc/16/31/41/188163141.db2.gz WRHAHJOWFAAFTE-GFCCVEGCSA-N -1 3 247.338 2.900 20 0 BFADHM CC(=O)[N-]O[C@@H](C)CCSc1ccccc1 ZINC000180801691 188167287 /nfs/dbraw/zinc/16/72/87/188167287.db2.gz PXTVSKGABVLBNA-JTQLQIEISA-N -1 3 239.340 2.625 20 0 BFADHM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H]3C2)ccc1[O-] ZINC000226718645 188183001 /nfs/dbraw/zinc/18/30/01/188183001.db2.gz YOIUDCQIOYTKHB-CHWSQXEVSA-N -1 3 245.322 2.573 20 0 BFADHM CC1=C(C(=O)Nc2ccccc2[O-])CCC1 ZINC000336621434 188232371 /nfs/dbraw/zinc/23/23/71/188232371.db2.gz FUWLAUBFKWBGLY-UHFFFAOYSA-N -1 3 217.268 2.831 20 0 BFADHM Cc1ccc([O-])c(CNc2cccc(F)c2)n1 ZINC000091993506 188222787 /nfs/dbraw/zinc/22/27/87/188222787.db2.gz WMWBVJVZBDDKAG-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM COc1ccc(NC(=O)c2ccccc2)c([O-])c1 ZINC000135422949 538115210 /nfs/dbraw/zinc/11/52/10/538115210.db2.gz YULYJNGMJBRBKG-UHFFFAOYSA-N -1 3 243.262 2.653 20 0 BFADHM CCC[C@@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135430378 538115443 /nfs/dbraw/zinc/11/54/43/538115443.db2.gz BUUOBJPGLQTBKP-SECBINFHSA-N -1 3 237.299 2.776 20 0 BFADHM CCc1cc(C(=O)NCCC(C)C)ccc1[O-] ZINC000563708655 353324838 /nfs/dbraw/zinc/32/48/38/353324838.db2.gz MHBDHMHGDYBHLY-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CC[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000037915250 358480177 /nfs/dbraw/zinc/48/01/77/358480177.db2.gz SJBXPXAWISZUHG-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM C[C@H]1C[C@@H]1c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000334534681 353914729 /nfs/dbraw/zinc/91/47/29/353914729.db2.gz VJUBEEANJJKQLU-CBAPKCEASA-N -1 3 248.257 2.629 20 0 BFADHM CC1(C)C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000228638342 188542075 /nfs/dbraw/zinc/54/20/75/188542075.db2.gz MQXAZJWQQKWKEQ-JTQLQIEISA-N -1 3 230.267 2.956 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2C2CC2)c1 ZINC000334671451 354412469 /nfs/dbraw/zinc/41/24/69/354412469.db2.gz PFBSQDSOXHTGCL-ZDUSSCGKSA-N -1 3 245.322 2.579 20 0 BFADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])C(C)(F)F ZINC000334674140 354417021 /nfs/dbraw/zinc/41/70/21/354417021.db2.gz NCNZHYLYYFBVAC-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM [O-]c1cccc(/C=C/c2nc(C3CC3)no2)c1 ZINC000334803252 354559902 /nfs/dbraw/zinc/55/99/02/354559902.db2.gz SHSDDDLOXFKUTO-QPJJXVBHSA-N -1 3 228.251 2.823 20 0 BFADHM Cc1cccc(C(=O)N2CC(C(C)(C)C)C2)c1[O-] ZINC000335093844 354631718 /nfs/dbraw/zinc/63/17/18/354631718.db2.gz KMILPDNERCIGDV-UHFFFAOYSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)C(C)(C)C)n1 ZINC000345936382 354812617 /nfs/dbraw/zinc/81/26/17/354812617.db2.gz VCAGACIGTKIFLR-VIFPVBQESA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCC[C@H](C)C2)n1 ZINC000345940220 354814422 /nfs/dbraw/zinc/81/44/22/354814422.db2.gz MAXGBPMRZNSACN-ONGXEEELSA-N -1 3 248.326 2.860 20 0 BFADHM CCCC1(C(=O)Nc2nc(C)ccc2[O-])CC1 ZINC000345948132 354817582 /nfs/dbraw/zinc/81/75/82/354817582.db2.gz WTKLTAYBRNRUIY-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM CC1(C)CC(CC(=O)Nc2ncccc2[O-])C1 ZINC000346309597 354892191 /nfs/dbraw/zinc/89/21/91/354892191.db2.gz MSGRTOFEGYLSII-UHFFFAOYSA-N -1 3 234.299 2.552 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CCC[C@H](F)C1 ZINC000335171795 354936088 /nfs/dbraw/zinc/93/60/88/354936088.db2.gz GDFBNCYMOJKCBO-UWVGGRQHSA-N -1 3 237.274 2.859 20 0 BFADHM CCc1cc(C(=O)N2[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000335874485 355641932 /nfs/dbraw/zinc/64/19/32/355641932.db2.gz WLWUVRRXVJSLBD-AOOOYVTPSA-N -1 3 233.311 2.578 20 0 BFADHM CCc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000335874489 355642094 /nfs/dbraw/zinc/64/20/94/355642094.db2.gz WLWUVRRXVJSLBD-UWVGGRQHSA-N -1 3 233.311 2.578 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC(C)C2)c([O-])c1 ZINC000335874571 355643084 /nfs/dbraw/zinc/64/30/84/355643084.db2.gz VYDWBLZJYDECMV-UHFFFAOYSA-N -1 3 233.311 2.608 20 0 BFADHM CCc1noc(Cc2ccc([O-])cc2Cl)n1 ZINC000335881789 355671159 /nfs/dbraw/zinc/67/11/59/355671159.db2.gz LXYNUWYFBTVUQY-UHFFFAOYSA-N -1 3 238.674 2.582 20 0 BFADHM CCC(C)(C)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000617574205 356140153 /nfs/dbraw/zinc/14/01/53/356140153.db2.gz VIEGKUYTKLTWGQ-JTQLQIEISA-N -1 3 235.327 2.947 20 0 BFADHM CC[C@H](C)CCNC(=O)c1cccc([O-])c1 ZINC000617631366 356208200 /nfs/dbraw/zinc/20/82/00/356208200.db2.gz FBLPSZGXXTUVLT-JTQLQIEISA-N -1 3 221.300 2.558 20 0 BFADHM CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)[O-] ZINC000236930583 363461260 /nfs/dbraw/zinc/46/12/60/363461260.db2.gz HOFYLVQJRGQURN-ZETCQYMHSA-N -1 3 247.747 2.697 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CC12CCCC2 ZINC000336165431 134113186 /nfs/dbraw/zinc/11/31/86/134113186.db2.gz CDAQMAPMFONPTL-SNVBAGLBSA-N -1 3 231.295 2.911 20 0 BFADHM Cc1ccoc1C(=O)Nc1c(C)cccc1[O-] ZINC000179551034 366269494 /nfs/dbraw/zinc/26/94/94/366269494.db2.gz GNAATLQQJOHTOX-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM Cc1cccc([O-])c1NC(=O)c1ccccc1 ZINC000179560642 366271745 /nfs/dbraw/zinc/27/17/45/366271745.db2.gz WYKIVWKDPMINGH-UHFFFAOYSA-N -1 3 227.263 2.953 20 0 BFADHM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3C3CC3)n2)cc1 ZINC000350566297 366298661 /nfs/dbraw/zinc/29/86/61/366298661.db2.gz NRSJANVSVTWOJP-VXGBXAGGSA-N -1 3 242.278 2.956 20 0 BFADHM CC[C@@H](NC(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000324066136 356726948 /nfs/dbraw/zinc/72/69/48/356726948.db2.gz FMUDMHARTCXSEN-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000623363970 356815764 /nfs/dbraw/zinc/81/57/64/356815764.db2.gz NJVVLCQQTRVAHK-PHIMTYICSA-N -1 3 247.338 2.819 20 0 BFADHM CCCN(C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000582365171 357111722 /nfs/dbraw/zinc/11/17/22/357111722.db2.gz KEPUWCIUFPATJK-QMMMGPOBSA-N -1 3 225.288 2.689 20 0 BFADHM CCc1cccc(C(=O)N2CC(C)(CC)C2)c1[O-] ZINC000582520666 357324532 /nfs/dbraw/zinc/32/45/32/357324532.db2.gz WFMDVEQKZVYVEP-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM C[C@H]1CC[C@@H](c2noc(-c3ccccc3[O-])n2)O1 ZINC000398336279 357883533 /nfs/dbraw/zinc/88/35/33/357883533.db2.gz IFXVKEPUSWNAJO-KWQFWETISA-N -1 3 246.266 2.682 20 0 BFADHM C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235635477 357926290 /nfs/dbraw/zinc/92/62/90/357926290.db2.gz JOMSIZAYJWACRW-QMMMGPOBSA-N -1 3 239.702 2.528 20 0 BFADHM CCCCN(CC)Cc1occc1C(=O)[O-] ZINC000035432962 357991832 /nfs/dbraw/zinc/99/18/32/357991832.db2.gz FNCMWUKWSPDABI-UHFFFAOYSA-N -1 3 225.288 2.600 20 0 BFADHM Cc1oc(CN2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000035432147 357992328 /nfs/dbraw/zinc/99/23/28/357992328.db2.gz TXYYZOUXGKKNKB-VIFPVBQESA-N -1 3 237.299 2.661 20 0 BFADHM CCC[C@H](C)N(C)Cc1ccoc1C(=O)[O-] ZINC000036791177 358052899 /nfs/dbraw/zinc/05/28/99/358052899.db2.gz IZWHSMPCPZVPHB-VIFPVBQESA-N -1 3 225.288 2.598 20 0 BFADHM CCCn1c(S[C@@H](C)CC(C)C)n[n-]c1=O ZINC000450678439 202233151 /nfs/dbraw/zinc/23/31/51/202233151.db2.gz TVWFCLPSAHIIQY-VIFPVBQESA-N -1 3 243.376 2.920 20 0 BFADHM CCn1c(S[C@H](C)CC(C)C)n[n-]c1=O ZINC000450704468 202239563 /nfs/dbraw/zinc/23/95/63/202239563.db2.gz MDCDVSBEEQUMLK-MRVPVSSYSA-N -1 3 229.349 2.530 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000226204371 358335904 /nfs/dbraw/zinc/33/59/04/358335904.db2.gz ATDWYACVYJBDMZ-NTZNESFSSA-N -1 3 247.338 2.947 20 0 BFADHM CCCCN(Cc1occc1C(=O)[O-])C1CC1 ZINC000042317801 358346753 /nfs/dbraw/zinc/34/67/53/358346753.db2.gz BCNNDQVXSQYIOR-UHFFFAOYSA-N -1 3 237.299 2.742 20 0 BFADHM Cc1cc(C(=O)[N-]c2cccc(F)c2F)on1 ZINC000049413141 358688637 /nfs/dbraw/zinc/68/86/37/358688637.db2.gz FBVYNYGXIOMASP-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM Cc1ccc([O-])c(CN(C)c2ccccc2)n1 ZINC000131890787 358698217 /nfs/dbraw/zinc/69/82/17/358698217.db2.gz BKSJBRONXPJSNF-UHFFFAOYSA-N -1 3 228.295 2.732 20 0 BFADHM CC(C)Cc1noc(/C=C/c2cncc([O-])c2)n1 ZINC000131936198 358701619 /nfs/dbraw/zinc/70/16/19/358701619.db2.gz ICQZXBYJIHQGQW-ONEGZZNKSA-N -1 3 245.282 2.539 20 0 BFADHM Cc1cc([N-]C(=O)c2cc(F)ccc2F)no1 ZINC000070693343 359061930 /nfs/dbraw/zinc/06/19/30/359061930.db2.gz RJPBVUZYRNOFLW-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000248329100 359262521 /nfs/dbraw/zinc/26/25/21/359262521.db2.gz DBHXEUSMKFUUIJ-IWIIMEHWSA-N -1 3 231.295 2.685 20 0 BFADHM C[C@@H]1C[C@H](C)CCN(c2ccncc2C(=O)[O-])C1 ZINC000578511462 366584170 /nfs/dbraw/zinc/58/41/70/366584170.db2.gz RDNHWUIANUZRSA-GHMZBOCLSA-N -1 3 248.326 2.652 20 0 BFADHM Cc1ccc(-c2nc([C@H]3C[C@H]3C)no2)c([O-])c1 ZINC000088055503 359933256 /nfs/dbraw/zinc/93/32/56/359933256.db2.gz ZODIXEHXPAVYHB-SCZZXKLOSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1cccc(-c2nc([C@@H]3C[C@@H]3C)no2)c1[O-] ZINC000088055508 359933314 /nfs/dbraw/zinc/93/33/14/359933314.db2.gz JPNXHQXPTWHMHM-WCBMZHEXSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2cccnc2C)c1 ZINC000091497365 360118023 /nfs/dbraw/zinc/11/80/23/360118023.db2.gz XYBUHQZKSYGEPM-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H]1C[C@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000629157989 360910875 /nfs/dbraw/zinc/91/08/75/360910875.db2.gz TVQUTOUCTHPRFO-BDAKNGLRSA-N -1 3 246.339 2.615 20 0 BFADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@@H]2CCC[C@H]21 ZINC000629373384 361023704 /nfs/dbraw/zinc/02/37/04/361023704.db2.gz INLKKHRVMBTBJP-XJFOESAGSA-N -1 3 249.354 2.670 20 0 BFADHM Cc1nocc1[N-]C(=O)c1scnc1C1CC1 ZINC000640482892 361257177 /nfs/dbraw/zinc/25/71/77/361257177.db2.gz DDKIOSPLGWDVHW-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1cccc([O-])c1 ZINC000037113704 361677634 /nfs/dbraw/zinc/67/76/34/361677634.db2.gz NEXPNYNSRGEDJI-JTQLQIEISA-N -1 3 221.300 2.653 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC(CC)CC)c1 ZINC000436758919 201336274 /nfs/dbraw/zinc/33/62/74/201336274.db2.gz ZLQHEVMDEXSQQP-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM Cc1ccc(C(=O)NCCC2(C)CC2)c([O-])c1 ZINC000436849058 201338784 /nfs/dbraw/zinc/33/87/84/201338784.db2.gz QYOCUYPGDZDHTQ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H]2C(C)C)c([O-])c1 ZINC000436836825 201339116 /nfs/dbraw/zinc/33/91/16/201339116.db2.gz FISDISTVRJYRBB-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)N2CCCCCO2)c([O-])c1 ZINC000436888418 201341672 /nfs/dbraw/zinc/34/16/72/201341672.db2.gz RPQVRHCJTBCWEE-UHFFFAOYSA-N -1 3 249.310 2.512 20 0 BFADHM C[C@H]1CC[C@@H](c2nc3cccc(F)c3c(=O)[n-]2)O1 ZINC000630385703 364100169 /nfs/dbraw/zinc/10/01/69/364100169.db2.gz RMAGMSXZFHRMAY-XVKPBYJWSA-N -1 3 248.257 2.715 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245669638 364554039 /nfs/dbraw/zinc/55/40/39/364554039.db2.gz HQSUWSPOPWCSMP-GDGBQDQQSA-N -1 3 249.285 2.906 20 0 BFADHM COc1ccc(NC(=O)c2ccoc2C)c([O-])c1 ZINC000135402222 541364649 /nfs/dbraw/zinc/36/46/49/541364649.db2.gz HVLBNLZTYWFWOY-UHFFFAOYSA-N -1 3 247.250 2.555 20 0 BFADHM CC[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000573587962 364870329 /nfs/dbraw/zinc/87/03/29/364870329.db2.gz DVKPJIDCUNMIHK-MRVPVSSYSA-N -1 3 235.283 2.579 20 0 BFADHM CC1(C)CCCN1Cc1csc(C(=O)[O-])c1 ZINC000574285979 365029721 /nfs/dbraw/zinc/02/97/21/365029721.db2.gz SQVNLHSNSHPROU-UHFFFAOYSA-N -1 3 239.340 2.821 20 0 BFADHM Cc1ccc(C(=O)N2CC(CC3CC3)C2)c([O-])c1 ZINC000622253235 370804384 /nfs/dbraw/zinc/80/43/84/370804384.db2.gz XZTIWLUKHLDVIC-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM C[C@H]1CC2(CCC2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000575323536 365289263 /nfs/dbraw/zinc/28/92/63/365289263.db2.gz YOWKCQBEPAEVNA-JTQLQIEISA-N -1 3 249.310 2.742 20 0 BFADHM Cc1nscc1C(=O)Nc1c(C)cccc1[O-] ZINC000182334470 366887237 /nfs/dbraw/zinc/88/72/37/366887237.db2.gz LDBVKMGDISDFRT-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])c1ccccc1 ZINC000174880124 365518423 /nfs/dbraw/zinc/51/84/23/365518423.db2.gz JAKHUSHULMOQCK-UHFFFAOYSA-N -1 3 231.226 2.784 20 0 BFADHM C[C@H]1CN(c2ccncc2C(=O)[O-])CC(C)(C)C1 ZINC000576111055 365492060 /nfs/dbraw/zinc/49/20/60/365492060.db2.gz JBNUDDWWTOCSDC-SNVBAGLBSA-N -1 3 248.326 2.652 20 0 BFADHM CC(=O)c1cccc(NC(=O)C[C@@H]2C[C@@H]2C)c1[O-] ZINC000581014312 367235699 /nfs/dbraw/zinc/23/56/99/367235699.db2.gz KXJGLWXXQKCRSY-WPRPVWTQSA-N -1 3 247.294 2.579 20 0 BFADHM Cc1cc(CN(C)CCC2CC2)oc1C(=O)[O-] ZINC000382455540 367526923 /nfs/dbraw/zinc/52/69/23/367526923.db2.gz TUABSDOLQHKXEL-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM C[C@@H](CC(C)(C)C)NC(=O)c1cccc([O-])c1 ZINC000384525582 367698000 /nfs/dbraw/zinc/69/80/00/367698000.db2.gz LDIPVSZXXFKKPO-JTQLQIEISA-N -1 3 235.327 2.947 20 0 BFADHM C[C@H](N(C)Cc1ccoc1C(=O)[O-])C1(C)CC1 ZINC000385207548 367808122 /nfs/dbraw/zinc/80/81/22/367808122.db2.gz VEIZQFDZPDFQKB-VIFPVBQESA-N -1 3 237.299 2.598 20 0 BFADHM O=C(CC1CCCCC1)Nc1ncccc1[O-] ZINC000022261993 367983176 /nfs/dbraw/zinc/98/31/76/367983176.db2.gz UMDJYMUEWQWNJC-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM Cc1ccoc1CNC(=O)c1ccc(C)cc1[O-] ZINC000386788975 368022056 /nfs/dbraw/zinc/02/20/56/368022056.db2.gz LAXUWZFYQWGPQB-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM CN(Cc1csc(C(=O)[O-])c1)[C@H]1CC1(C)C ZINC000566360716 326036541 /nfs/dbraw/zinc/03/65/41/326036541.db2.gz AGWBTOHRCBZNAU-JTQLQIEISA-N -1 3 239.340 2.677 20 0 BFADHM CC(C)N(CC(F)F)C(=O)c1ccccc1[O-] ZINC000158637383 201650192 /nfs/dbraw/zinc/65/01/92/201650192.db2.gz HYZOMRYRFVMFOT-UHFFFAOYSA-N -1 3 243.253 2.508 20 0 BFADHM CC(C)CSCC(=O)Nc1ccccc1[O-] ZINC000043007572 368391157 /nfs/dbraw/zinc/39/11/57/368391157.db2.gz KCIZVTVFTXYYAR-UHFFFAOYSA-N -1 3 239.340 2.720 20 0 BFADHM C[C@@H](NCc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000086297479 368878958 /nfs/dbraw/zinc/87/89/58/368878958.db2.gz IYXWAVFFZBMDJU-RKDXNWHRSA-N -1 3 241.718 2.539 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC(C1CC1)C1CC1 ZINC000623686075 369404961 /nfs/dbraw/zinc/40/49/61/369404961.db2.gz CXUQRMOLYJEIMC-UHFFFAOYSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@@H]2C)c1[O-] ZINC000112640854 370337596 /nfs/dbraw/zinc/33/75/96/370337596.db2.gz JJVCXKAORXJZCJ-RCOVLWMOSA-N -1 3 239.702 2.949 20 0 BFADHM CC(C)(C)CCCNC(=O)c1ccccc1[O-] ZINC000313457087 370587613 /nfs/dbraw/zinc/58/76/13/370587613.db2.gz FZXGMMZCDYMFAV-UHFFFAOYSA-N -1 3 235.327 2.948 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(CC(C)C)C1CC1 ZINC000623819334 371109476 /nfs/dbraw/zinc/10/94/76/371109476.db2.gz XZNYKYJCMISQIA-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1(C2(C)CC2)CC1 ZINC000627667466 371826194 /nfs/dbraw/zinc/82/61/94/371826194.db2.gz TUPLLADWZNBYEC-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM O=C(C/C=C/c1ccc(F)cc1)[N-]OCC1CC1 ZINC000293873374 181855708 /nfs/dbraw/zinc/85/57/08/181855708.db2.gz WXPQEFIHVFNSEN-OWOJBTEDSA-N -1 3 249.285 2.687 20 0 BFADHM O=C(C[C@@H]1C=CCC1)[N-]OCc1ccc(F)cc1 ZINC000184219203 182013277 /nfs/dbraw/zinc/01/32/77/182013277.db2.gz WYZJYUSBORHNRO-LLVKDONJSA-N -1 3 249.285 2.730 20 0 BFADHM O=C(C[C@@H]1C=CCC1)NCc1ccc([O-])c(F)c1 ZINC000132786965 182014066 /nfs/dbraw/zinc/01/40/66/182014066.db2.gz KMFJTROGGGTIRY-SNVBAGLBSA-N -1 3 249.285 2.504 20 0 BFADHM O=C(C[C@H]1C=CCC1)Nc1cc(F)ccc1[O-] ZINC000174890621 182025034 /nfs/dbraw/zinc/02/50/34/182025034.db2.gz BMSXFHXTUZRYBO-VIFPVBQESA-N -1 3 235.258 2.826 20 0 BFADHM CC(C)=CC(=O)Nc1ccc(C)cc1[O-] ZINC000040413325 373248394 /nfs/dbraw/zinc/24/83/94/373248394.db2.gz ZMHYJZNBYIKYDT-UHFFFAOYSA-N -1 3 205.257 2.605 20 0 BFADHM O=C(NCc1ccccc1)Nc1ccccc1[O-] ZINC000003639295 182256149 /nfs/dbraw/zinc/25/61/49/182256149.db2.gz YXHXNZGRUSTLKP-UHFFFAOYSA-N -1 3 242.278 2.714 20 0 BFADHM Cc1c2occ([O-])c2ccc1OC[C@H]1C[C@H]1C ZINC000634559727 374317818 /nfs/dbraw/zinc/31/78/18/374317818.db2.gz DQNPUBRFGRCGGG-PSASIEDQSA-N -1 3 232.279 2.605 20 0 BFADHM CCCN(CC(F)F)C(=O)c1ccccc1[O-] ZINC000194714594 206107169 /nfs/dbraw/zinc/10/71/69/206107169.db2.gz JNROHHQRVBRFPT-UHFFFAOYSA-N -1 3 243.253 2.510 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccncc1 ZINC000000365171 182348924 /nfs/dbraw/zinc/34/89/24/182348924.db2.gz TWGCEOBLAMDJHZ-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1=CCCCC1 ZINC000188643382 182350029 /nfs/dbraw/zinc/35/00/29/182350029.db2.gz QVRHMBLTHBPUTB-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1(CCF)CC1 ZINC000355668005 182361131 /nfs/dbraw/zinc/36/11/31/182361131.db2.gz CYMJWHHEPFEAKU-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM O=C(Nc1ncccc1[O-])c1cccc(Cl)c1 ZINC000032178515 182399988 /nfs/dbraw/zinc/39/99/88/182399988.db2.gz KDXKFSFJCVAHOK-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CCCN(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000227026551 169047981 /nfs/dbraw/zinc/04/79/81/169047981.db2.gz ORVQHKMGCMXFGH-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM [O-]c1ccc(-c2noc(CSC3CC3)n2)cc1 ZINC000295988891 183266497 /nfs/dbraw/zinc/26/64/97/183266497.db2.gz RQGGKHNVSPRUHE-UHFFFAOYSA-N -1 3 248.307 2.838 20 0 BFADHM [O-]c1ccc(-c2cccc(O)c2)cc1F ZINC000065339955 183285898 /nfs/dbraw/zinc/28/58/98/183285898.db2.gz PSGAOOZSOWSQFF-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cccc(CN[C@@H]2C[C@@H]2C(F)F)c1Cl ZINC000339399776 183291017 /nfs/dbraw/zinc/29/10/17/183291017.db2.gz KOESMUQSSQVDPC-JGVFFNPUSA-N -1 3 247.672 2.789 20 0 BFADHM CCCOc1cccc(NC(=O)[N-]OCC)c1 ZINC000183907009 169326185 /nfs/dbraw/zinc/32/61/85/169326185.db2.gz HTAQIMDIEBSWMY-UHFFFAOYSA-N -1 3 238.287 2.548 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000035239243 169363449 /nfs/dbraw/zinc/36/34/49/169363449.db2.gz LZBANFXYPIBTNW-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000035239201 169363628 /nfs/dbraw/zinc/36/36/28/169363628.db2.gz STSOGCVSXJNXES-SNVBAGLBSA-N -1 3 221.300 2.653 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000035239234 383845443 /nfs/dbraw/zinc/84/54/43/383845443.db2.gz VNQZQVIUSPCLKN-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM CCCCCCNC(=O)c1cccc([O-])c1 ZINC000070186866 384085432 /nfs/dbraw/zinc/08/54/32/384085432.db2.gz TWXQRNVHFFMCAG-UHFFFAOYSA-N -1 3 221.300 2.702 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C3CC3)C2)c([O-])c1 ZINC000335411869 384263400 /nfs/dbraw/zinc/26/34/00/384263400.db2.gz RTEKKNTYGJEBHE-LBPRGKRZSA-N -1 3 245.322 2.573 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CCC[C@@H]2C)n1 ZINC000119922502 384317842 /nfs/dbraw/zinc/31/78/42/384317842.db2.gz LNJOCACPYVNMPY-PHIMTYICSA-N -1 3 249.358 2.508 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)C2CC(C)(C)C2)c1 ZINC000335658169 384460054 /nfs/dbraw/zinc/46/00/54/384460054.db2.gz XGNWXBBKJDDCLY-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(CSC)cc1 ZINC000183994372 384550013 /nfs/dbraw/zinc/55/00/13/384550013.db2.gz XZJCOLZULJFWDP-UHFFFAOYSA-N -1 3 240.328 2.623 20 0 BFADHM CC(=O)c1cccc(NC(=O)CCC2CC2)c1[O-] ZINC000556892553 384620530 /nfs/dbraw/zinc/62/05/30/384620530.db2.gz LYVUFHDNLSFWGK-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000518017538 384621000 /nfs/dbraw/zinc/62/10/00/384621000.db2.gz OJIOUQXPJLSKTN-QWRGUYRKSA-N -1 3 248.326 2.942 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C)c1 ZINC000050566621 384634730 /nfs/dbraw/zinc/63/47/30/384634730.db2.gz QAZNGQCIJKSODA-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM CC(C)CN(Cc1occc1C(=O)[O-])C1CC1 ZINC000042557969 384642831 /nfs/dbraw/zinc/64/28/31/384642831.db2.gz DZIBBNFJIJGABA-UHFFFAOYSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1cccc(C(=O)NC[C@H]2CC=CCC2)c1[O-] ZINC000044569356 384659158 /nfs/dbraw/zinc/65/91/58/384659158.db2.gz RLIHZYAEPUAQAA-LBPRGKRZSA-N -1 3 245.322 2.787 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1Cc1occc1C(=O)[O-] ZINC000050565502 384701649 /nfs/dbraw/zinc/70/16/49/384701649.db2.gz LJBGMEDUAWGPHJ-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM CN(CCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000042489046 384807786 /nfs/dbraw/zinc/80/77/86/384807786.db2.gz YZAGIBFAPQZFNY-UHFFFAOYSA-N -1 3 247.747 2.698 20 0 BFADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000186012761 384809269 /nfs/dbraw/zinc/80/92/69/384809269.db2.gz QIADTJZEHDOHRS-VHSXEESVSA-N -1 3 219.284 2.623 20 0 BFADHM Cc1ccc(NC(=O)[C@@H](C)C2CC2)c([O-])c1 ZINC000148098648 384871500 /nfs/dbraw/zinc/87/15/00/384871500.db2.gz RLRRWORKDGYAGM-VIFPVBQESA-N -1 3 219.284 2.685 20 0 BFADHM CSCCC(=O)Nc1c([O-])cccc1Cl ZINC000557181466 384869289 /nfs/dbraw/zinc/86/92/89/384869289.db2.gz RSOMPOAPRIQRNK-UHFFFAOYSA-N -1 3 245.731 2.737 20 0 BFADHM Cc1ccc(CC(=O)[N-]OCCC(C)C)cc1 ZINC000085261700 384930660 /nfs/dbraw/zinc/93/06/60/384930660.db2.gz FOUFFFQHROLGOR-UHFFFAOYSA-N -1 3 235.327 2.631 20 0 BFADHM C[C@@H](F)CCN=c1[n-]cc(C(F)(F)F)s1 ZINC000338752537 384945984 /nfs/dbraw/zinc/94/59/84/384945984.db2.gz RQPYRZHUGVJQOL-RXMQYKEDSA-N -1 3 242.241 2.744 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC2(CCC2)CC1 ZINC000308734996 385053769 /nfs/dbraw/zinc/05/37/69/385053769.db2.gz XQECVHMMPPWUCN-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM Cc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000019836919 385115229 /nfs/dbraw/zinc/11/52/29/385115229.db2.gz FAIYDLYHIACUQX-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000360769879 385390169 /nfs/dbraw/zinc/39/01/69/385390169.db2.gz SAYTYZJQCAWKTC-PSASIEDQSA-N -1 3 237.274 2.906 20 0 BFADHM CCO[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000155464626 385391678 /nfs/dbraw/zinc/39/16/78/385391678.db2.gz FAZPFIMUIFVURA-LBPRGKRZSA-N -1 3 235.327 2.946 20 0 BFADHM CC[C@H](CC(=O)[N-]OC)c1ccc(C)cc1 ZINC000155611547 385399532 /nfs/dbraw/zinc/39/95/32/385399532.db2.gz WARNLDRKTOSGKA-LLVKDONJSA-N -1 3 221.300 2.556 20 0 BFADHM CCCO[N-]C(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1 ZINC000493109021 385520629 /nfs/dbraw/zinc/52/06/29/385520629.db2.gz UHSUSZWDDVRONR-ZXIUILOBSA-N -1 3 249.310 2.874 20 0 BFADHM CCc1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000158209632 385553265 /nfs/dbraw/zinc/55/32/65/385553265.db2.gz ZPBFSYQDBXNTAO-UHFFFAOYSA-N -1 3 236.315 2.958 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1C ZINC000436827940 385634830 /nfs/dbraw/zinc/63/48/30/385634830.db2.gz WCJWOMQKVPCTHH-NSHDSACASA-N -1 3 233.311 2.537 20 0 BFADHM Cc1csc([N-]c2ncnc3ccncc32)n1 ZINC000337403448 385648979 /nfs/dbraw/zinc/64/89/79/385648979.db2.gz QWWOYHXFLKJAGD-UHFFFAOYSA-N -1 3 243.295 2.533 20 0 BFADHM CCCC1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000182608421 385689659 /nfs/dbraw/zinc/68/96/59/385689659.db2.gz YMMBJDIXPZNIGS-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(C)c1Cl ZINC000183007495 385729843 /nfs/dbraw/zinc/72/98/43/385729843.db2.gz QUBAMBXMPOKXHS-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM C/C=C(\C)C(=O)Nc1c(C)cccc1[O-] ZINC000183045817 385732936 /nfs/dbraw/zinc/73/29/36/385732936.db2.gz AQZDFQNPQMFNDD-XBXARRHUSA-N -1 3 205.257 2.605 20 0 BFADHM Cc1ncc(NC(=O)c2cc(C)ccc2[O-])s1 ZINC000337673046 385750072 /nfs/dbraw/zinc/75/00/72/385750072.db2.gz YKCTYOYCVBBICC-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000647802753 385836554 /nfs/dbraw/zinc/83/65/54/385836554.db2.gz TXRBUERQPAQRCR-UHFFFAOYSA-N -1 3 247.298 2.787 20 0 BFADHM CCN(Cc1cc(C(=O)[O-])oc1C)CC1CC1 ZINC000069238536 385852850 /nfs/dbraw/zinc/85/28/50/385852850.db2.gz MKIMYNUNKIIPTE-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CCc1cc(=O)[n-]c(CSCCCCF)n1 ZINC000285176355 385904745 /nfs/dbraw/zinc/90/47/45/385904745.db2.gz UIUNJSVTESIHCT-UHFFFAOYSA-N -1 3 244.335 2.728 20 0 BFADHM Cc1cc(C(=O)N(C(C)C)C2CC2)ccc1[O-] ZINC000272557719 385913917 /nfs/dbraw/zinc/91/39/17/385913917.db2.gz ZOCNSJZSJWYNCY-UHFFFAOYSA-N -1 3 233.311 2.714 20 0 BFADHM CCC1(C(=O)[N-]OCc2ccc(F)cc2)CC1 ZINC000273322139 385988018 /nfs/dbraw/zinc/98/80/18/385988018.db2.gz RGRQXEHUDUIVHX-UHFFFAOYSA-N -1 3 237.274 2.564 20 0 BFADHM CC/C=C/CNCc1c(F)ccc([O-])c1F ZINC000295031420 385947428 /nfs/dbraw/zinc/94/74/28/385947428.db2.gz NYURRDHAJXDLEP-ONEGZZNKSA-N -1 3 227.254 2.726 20 0 BFADHM C[C@@H](C1CC1)N(C)Cc1c(F)ccc([O-])c1F ZINC000295276576 386005575 /nfs/dbraw/zinc/00/55/75/386005575.db2.gz HZWDADICHCBRGS-QMMMGPOBSA-N -1 3 241.281 2.901 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(SC)c1C ZINC000273683343 386023256 /nfs/dbraw/zinc/02/32/56/386023256.db2.gz GDHIJFFJYHEFDC-UHFFFAOYSA-N -1 3 240.328 2.790 20 0 BFADHM CCCn1c(=O)[n-]nc1S[C@H]1CC[C@@H](C)C1 ZINC000338519128 386036243 /nfs/dbraw/zinc/03/62/43/386036243.db2.gz FQECTSWTTPHSER-BDAKNGLRSA-N -1 3 241.360 2.674 20 0 BFADHM Cc1cc(C(=O)N2CCCC[C@@H](C)C2)ccc1[O-] ZINC000274748406 386147079 /nfs/dbraw/zinc/14/70/79/386147079.db2.gz NRDOKKGWAFTCJS-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1ccc(F)c(CN[C@H]2CC[C@@H](F)C2)c1F ZINC000334475425 386154461 /nfs/dbraw/zinc/15/44/61/386154461.db2.gz MFZCATSNZZTSIR-SFYZADRCSA-N -1 3 245.244 2.651 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC[C@@H](C)C2)c([O-])c1 ZINC000263643767 386160848 /nfs/dbraw/zinc/16/08/48/386160848.db2.gz BQBSXLHKBFLASO-LLVKDONJSA-N -1 3 247.338 2.998 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC[C@H](C)C2)c([O-])c1 ZINC000263643770 386161596 /nfs/dbraw/zinc/16/15/96/386161596.db2.gz BQBSXLHKBFLASO-NSHDSACASA-N -1 3 247.338 2.998 20 0 BFADHM CC(F)(F)C(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000288634059 386221962 /nfs/dbraw/zinc/22/19/62/386221962.db2.gz SZLUUESBCYJLIW-SNVBAGLBSA-N -1 3 243.228 2.584 20 0 BFADHM CS[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000264637715 386257768 /nfs/dbraw/zinc/25/77/68/386257768.db2.gz PQNVFFVWWQRBPY-SSDOTTSWSA-N -1 3 236.296 2.866 20 0 BFADHM CC(C)c1scnc1[N-]C(=O)c1cocn1 ZINC000289116021 386262388 /nfs/dbraw/zinc/26/23/88/386262388.db2.gz KEMQOBLYWJEOJD-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM Cc1cc(C(=O)NCCCC(C)C)ccc1[O-] ZINC000226715963 386367974 /nfs/dbraw/zinc/36/79/74/386367974.db2.gz VXJHTYADQFKZBA-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM Cc1cc(C(=O)NCC2CCCC2)ccc1[O-] ZINC000226716111 386368801 /nfs/dbraw/zinc/36/88/01/386368801.db2.gz CERZJBGFLJVJOL-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CCCCN(C)C(=O)c1ccc([O-])c(C)c1 ZINC000226714909 386369103 /nfs/dbraw/zinc/36/91/03/386369103.db2.gz BCYWLLRQQQXBIO-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274781195 386419307 /nfs/dbraw/zinc/41/93/07/386419307.db2.gz KRCAAWSQBNJUBZ-GWCFXTLKSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000335427339 386482540 /nfs/dbraw/zinc/48/25/40/386482540.db2.gz KKNDRRRAMOFXQO-MRVPVSSYSA-N -1 3 239.702 2.670 20 0 BFADHM CCOc1cc(-c2noc(C(C)C)n2)ccc1[O-] ZINC000278191883 386500523 /nfs/dbraw/zinc/50/05/23/386500523.db2.gz XWIAIDJGCFBZMV-UHFFFAOYSA-N -1 3 248.282 2.964 20 0 BFADHM O=C(CCC(F)(F)F)Nc1ccccc1[O-] ZINC000266602384 386456158 /nfs/dbraw/zinc/45/61/58/386456158.db2.gz PPPAQOPGFMLKHU-UHFFFAOYSA-N -1 3 233.189 2.673 20 0 BFADHM CCc1cc(C(=O)N2CCC(C)(C)C2)ccc1[O-] ZINC000291714669 386574630 /nfs/dbraw/zinc/57/46/30/386574630.db2.gz APTPFMGUWOANNW-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000291737729 386577530 /nfs/dbraw/zinc/57/75/30/386577530.db2.gz CSHABOALUXMAIS-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM CC[C@@H](C)CCC(=O)[N-]OC/C=C/Cl ZINC000291830509 386588426 /nfs/dbraw/zinc/58/84/26/386588426.db2.gz MVUGJMUXCORTBG-ILFKPUCNSA-N -1 3 219.712 2.613 20 0 BFADHM CCc1cc(C(=O)NCC(C)(C)C)ccc1[O-] ZINC000291467648 386549177 /nfs/dbraw/zinc/54/91/77/386549177.db2.gz IVCIUDBMFJLHRO-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccsc1 ZINC000292131496 386624378 /nfs/dbraw/zinc/62/43/78/386624378.db2.gz PUUNMQRDCQRJTG-SNVBAGLBSA-N -1 3 241.356 2.775 20 0 BFADHM CC[C@H]1CC[C@H](C(=O)Nc2ccc(C)cc2[O-])O1 ZINC000268256278 386633536 /nfs/dbraw/zinc/63/35/36/386633536.db2.gz QNLQFTZTZZCWMG-GXFFZTMASA-N -1 3 249.310 2.597 20 0 BFADHM CCCCN(Cc1nc(CC)cc(=O)[n-]1)C1CC1 ZINC000268269330 386636216 /nfs/dbraw/zinc/63/62/16/386636216.db2.gz ZPWRRHZYDKQNST-UHFFFAOYSA-N -1 3 249.358 2.509 20 0 BFADHM CCc1cc(C(=O)NC2(C)CCC2)ccc1[O-] ZINC000292293146 386646190 /nfs/dbraw/zinc/64/61/90/386646190.db2.gz VJLQXCXWDLQXRG-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC2CC2)cc1C ZINC000292345545 386652898 /nfs/dbraw/zinc/65/28/98/386652898.db2.gz ADHRKYBCEWTEHD-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM CCc1cc(C(=O)N2C[C@H](C)[C@@H](C)C2)ccc1[O-] ZINC000291980584 386605892 /nfs/dbraw/zinc/60/58/92/386605892.db2.gz QVAJQIYDSUSJOX-QWRGUYRKSA-N -1 3 247.338 2.683 20 0 BFADHM CC(C)([N-]C(=O)C(F)F)c1ccc(F)c(F)c1 ZINC000279007057 386618784 /nfs/dbraw/zinc/61/87/84/386618784.db2.gz HFIFZGGOUQCTOQ-UHFFFAOYSA-N -1 3 249.207 2.581 20 0 BFADHM CCc1c(C(=O)Nc2ccccc2[O-])ccn1C ZINC000334155574 386754110 /nfs/dbraw/zinc/75/41/10/386754110.db2.gz VRWPCMGLQQHHKM-UHFFFAOYSA-N -1 3 244.294 2.545 20 0 BFADHM O=C(N[C@@H](C1CC1)C1CCC1)c1ccccc1[O-] ZINC000325297310 386775414 /nfs/dbraw/zinc/77/54/14/386775414.db2.gz OPADRNOYUHGQDR-CQSZACIVSA-N -1 3 245.322 2.701 20 0 BFADHM CC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000388933033 386778899 /nfs/dbraw/zinc/77/88/99/386778899.db2.gz USHSGGUAEPLSIW-CMPLNLGQSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)C(C)(F)F)c1[O-] ZINC000293448220 386817949 /nfs/dbraw/zinc/81/79/49/386817949.db2.gz MTXCEESPIVVNKV-UHFFFAOYSA-N -1 3 249.644 2.948 20 0 BFADHM CC(C)n1ccc(NCc2cc([O-])cc(F)c2)n1 ZINC000280313830 386804144 /nfs/dbraw/zinc/80/41/44/386804144.db2.gz OQTNYPUGOOSHLS-UHFFFAOYSA-N -1 3 249.289 2.921 20 0 BFADHM CC(C)c1ccc(C(=O)NOCC2CC2)c([O-])c1 ZINC000293682632 386862105 /nfs/dbraw/zinc/86/21/05/386862105.db2.gz BHXGBSCYFMRBCT-UHFFFAOYSA-N -1 3 249.310 2.587 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CC2=CCCCC2)n1 ZINC000330837891 386902427 /nfs/dbraw/zinc/90/24/27/386902427.db2.gz RVISMWUGBWMCPF-UHFFFAOYSA-N -1 3 246.310 2.925 20 0 BFADHM O=C(CCCC1CCCC1)Nc1ccncc1[O-] ZINC000358336489 386936920 /nfs/dbraw/zinc/93/69/20/386936920.db2.gz JQKNVKZCZJWLQO-UHFFFAOYSA-N -1 3 248.326 2.508 20 0 BFADHM O=C(CC1CCCCCC1)Nc1ccncc1[O-] ZINC000358351447 386938950 /nfs/dbraw/zinc/93/89/50/386938950.db2.gz KCRWUFFCEUEVDT-UHFFFAOYSA-N -1 3 248.326 2.508 20 0 BFADHM CC(C)c1scnc1C(=O)[N-]c1cnoc1 ZINC000643461709 387047940 /nfs/dbraw/zinc/04/79/40/387047940.db2.gz ULRLLQLCRYQFOG-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM COc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)c([O-])c1 ZINC000571788474 387169869 /nfs/dbraw/zinc/16/98/69/387169869.db2.gz WZRRVIXSKHIMMM-XPTSAGLGSA-N -1 3 247.294 2.530 20 0 BFADHM Cc1cc(C(=O)Nc2ncccc2[O-])sc1C ZINC000022262689 387272821 /nfs/dbraw/zinc/27/28/21/387272821.db2.gz FPCCQNNEQLQRMB-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000424763176 387356288 /nfs/dbraw/zinc/35/62/88/387356288.db2.gz PEELNOMPJKFUNH-UWVGGRQHSA-N -1 3 234.299 2.552 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(CC)C2CCC2)c1 ZINC000354325568 387359964 /nfs/dbraw/zinc/35/99/64/387359964.db2.gz UZDYQUCTAYRQDW-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC(C)CC2)c1 ZINC000354137850 387333429 /nfs/dbraw/zinc/33/34/29/387333429.db2.gz HWZREOBLYXSIPE-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCC[C@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000036791180 387401717 /nfs/dbraw/zinc/40/17/17/387401717.db2.gz UGNIPYPIUAPUOP-VIFPVBQESA-N -1 3 239.315 2.907 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[O-] ZINC000399532431 387552683 /nfs/dbraw/zinc/55/26/83/387552683.db2.gz HENJDUHDZTUFKT-QJPTWQEYSA-N -1 3 247.338 2.817 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc([O-])c(C)c1 ZINC000399709955 387567080 /nfs/dbraw/zinc/56/70/80/387567080.db2.gz YGQYUKOQZABASH-GWCFXTLKSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H]1[C@@H](C(=O)[N-]OCc2ccccc2)[C@@H]1C1CC1 ZINC000527709985 387670906 /nfs/dbraw/zinc/67/09/06/387670906.db2.gz HXDOLANVGQECGO-LEWSCRJBSA-N -1 3 245.322 2.527 20 0 BFADHM CCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442801459 387843666 /nfs/dbraw/zinc/84/36/66/387843666.db2.gz MTRYIYKHKNEBHA-UHFFFAOYSA-N -1 3 249.188 2.639 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H](C)C2CCC2)c1[O-] ZINC000325387710 387934941 /nfs/dbraw/zinc/93/49/41/387934941.db2.gz YUJBGGCXVGAXCE-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1occc1C(=O)Nc1ccc([O-])cc1F ZINC000085203860 388085327 /nfs/dbraw/zinc/08/53/27/388085327.db2.gz ZKSYWSKRVYCGOO-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM [O-]c1cccc(CN2CC=CCC2)c1Cl ZINC000646154156 388157181 /nfs/dbraw/zinc/15/71/81/388157181.db2.gz DTQXCPKSUHIBBP-UHFFFAOYSA-N -1 3 223.703 2.808 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC(C)(CC)C2)c1 ZINC000462733101 388269916 /nfs/dbraw/zinc/26/99/16/388269916.db2.gz BPRPJZOBKKSFQC-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM O=C(/C=C\C1CC1)N1CCCc2cccc([O-])c21 ZINC000492291097 388340377 /nfs/dbraw/zinc/34/03/77/388340377.db2.gz ACPAWYKFNHAXAZ-HJWRWDBZSA-N -1 3 243.306 2.638 20 0 BFADHM O=C(/C=C\c1ccc(F)cc1)[N-]OC1CCCC1 ZINC000492347901 388342393 /nfs/dbraw/zinc/34/23/93/388342393.db2.gz ZXCIGLVGABCFIR-YFHOEESVSA-N -1 3 249.285 2.829 20 0 BFADHM CC[C@@H](CNCc1cccc([O-])c1Cl)OC ZINC000292944722 388384590 /nfs/dbraw/zinc/38/45/90/388384590.db2.gz KDHBCNBTLAFIOC-JTQLQIEISA-N -1 3 243.734 2.560 20 0 BFADHM CC1(C)C[C@H]1NCc1cccc([O-])c1Cl ZINC000293673543 388390351 /nfs/dbraw/zinc/39/03/51/388390351.db2.gz UYZCKWMSMMQZCV-SNVBAGLBSA-N -1 3 225.719 2.934 20 0 BFADHM CCCCNCc1cccc([O-])c1Cl ZINC000294064073 388394258 /nfs/dbraw/zinc/39/42/58/388394258.db2.gz KCAIDWUGLZXSEW-UHFFFAOYSA-N -1 3 213.708 2.935 20 0 BFADHM O=C(/C=C/C1CCC1)Nc1cc(F)ccc1[O-] ZINC000492267698 388339809 /nfs/dbraw/zinc/33/98/09/388339809.db2.gz GSSBWKLQDGIOBJ-QPJJXVBHSA-N -1 3 235.258 2.826 20 0 BFADHM CN(C[C@H]1CC=CCC1)C(=O)c1cccc([O-])c1 ZINC000335671700 388453791 /nfs/dbraw/zinc/45/37/91/388453791.db2.gz PLYARISOKUJRHY-LBPRGKRZSA-N -1 3 245.322 2.821 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](C)C1CCC1 ZINC000649229035 388463324 /nfs/dbraw/zinc/46/33/24/388463324.db2.gz JWZVVNLGJGXRJT-SECBINFHSA-N -1 3 249.358 2.638 20 0 BFADHM CCC(C)(C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649231689 388464314 /nfs/dbraw/zinc/46/43/14/388464314.db2.gz CCMOPIPLCMTCDV-UHFFFAOYSA-N -1 3 237.347 2.638 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@@H](C)[C@@H]1C1CC1 ZINC000528952021 388586093 /nfs/dbraw/zinc/58/60/93/388586093.db2.gz ZRKSJOSRJUPEGC-ZWKOPEQDSA-N -1 3 245.322 2.931 20 0 BFADHM Cc1ccn(C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000188898758 388613012 /nfs/dbraw/zinc/61/30/12/388613012.db2.gz GMHRGZMSUCWREG-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2cc(F)ccc2[O-])[C@@H]1C1CC1 ZINC000528901095 388581998 /nfs/dbraw/zinc/58/19/98/388581998.db2.gz JPLMFEMEEOSDGT-WCDAPOTHSA-N -1 3 249.285 2.762 20 0 BFADHM Cc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)c([O-])c1 ZINC000161552264 388671491 /nfs/dbraw/zinc/67/14/91/388671491.db2.gz PAJRGLATNLNLET-GHMZBOCLSA-N -1 3 233.311 2.714 20 0 BFADHM O=C(C[C@@H]1C=CCC1)Nc1cccc([O-])c1F ZINC000128294941 388745676 /nfs/dbraw/zinc/74/56/76/388745676.db2.gz URLZAJWXWYPJAH-SECBINFHSA-N -1 3 235.258 2.826 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCC(C)(C)C)c1 ZINC000522138578 388702068 /nfs/dbraw/zinc/70/20/68/388702068.db2.gz LPYCXANGPVFPQM-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM COc1cccc(-c2nc([C@@H]3C[C@H]3C)no2)c1[O-] ZINC000088055466 388718070 /nfs/dbraw/zinc/71/80/70/388718070.db2.gz BWCGBXQWZAOIGU-VXNVDRBHSA-N -1 3 246.266 2.574 20 0 BFADHM CCc1cccc(C(=O)NC(C)(C)CC)c1[O-] ZINC000538746947 388719259 /nfs/dbraw/zinc/71/92/59/388719259.db2.gz PVIYMFWHTRULAY-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM Cc1ccc(C(=O)NCC2(C)CCC2)c([O-])c1 ZINC000226841379 388731590 /nfs/dbraw/zinc/73/15/90/388731590.db2.gz UODNZUNCKLXHST-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CCC1(CNC(=O)c2cc(C)ccc2[O-])CC1 ZINC000226841191 388732257 /nfs/dbraw/zinc/73/22/57/388732257.db2.gz RIVWKHKUKGWYRY-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CN(Cc1ccc([O-])cn1)Cc1ccccc1F ZINC000096006923 388802822 /nfs/dbraw/zinc/80/28/22/388802822.db2.gz SVWDYAMMWMXAII-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM CC[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cn1 ZINC000094762147 388869495 /nfs/dbraw/zinc/86/94/95/388869495.db2.gz CXGKEIRIBCMMOI-ZDUSSCGKSA-N -1 3 248.326 2.544 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2cncs2)no1 ZINC000148096718 388869799 /nfs/dbraw/zinc/86/97/99/388869799.db2.gz CXHAMQKIZHHFAR-UHFFFAOYSA-N -1 3 245.263 2.566 20 0 BFADHM CCN(CC1CCC1)C(=O)c1ccc([O-])c(C)c1 ZINC000232386263 388849929 /nfs/dbraw/zinc/84/99/29/388849929.db2.gz ASCVTWKMHGDLEC-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H](C(=O)[O-])N1CCC[C@H]1c1ccc(C)o1 ZINC000564578164 388878980 /nfs/dbraw/zinc/87/89/80/388878980.db2.gz UXMWKLAHUSLBJM-QWRGUYRKSA-N -1 3 237.299 2.588 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](CC)C2)c1 ZINC000153163493 388945648 /nfs/dbraw/zinc/94/56/48/388945648.db2.gz RFPALWVSMVVZAM-GFCCVEGCSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)CC2(C)C)c([O-])c1 ZINC000271376917 389019991 /nfs/dbraw/zinc/01/99/91/389019991.db2.gz JLHGDHVOFNWGGD-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1occc1CN(C)C(=O)c1ccccc1[O-] ZINC000042397003 322838208 /nfs/dbraw/zinc/83/82/08/322838208.db2.gz WUGXDAAQJXNFRO-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM O=C(CCC1CC1)N1CCCc2cccc([O-])c21 ZINC000272380299 132200241 /nfs/dbraw/zinc/20/02/41/132200241.db2.gz BSWBBINDWXRHGE-UHFFFAOYSA-N -1 3 245.322 2.862 20 0 BFADHM CC1(C)C[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182930554 132291445 /nfs/dbraw/zinc/29/14/45/132291445.db2.gz FDFJWAZIBXPVHL-LLVKDONJSA-N -1 3 245.322 2.718 20 0 BFADHM CC[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063783 132389180 /nfs/dbraw/zinc/38/91/80/132389180.db2.gz CYEXGNKMUUJPSO-JTQLQIEISA-N -1 3 233.311 2.718 20 0 BFADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000334250226 133594960 /nfs/dbraw/zinc/59/49/60/133594960.db2.gz ZYCLCIVJPOEOFR-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H](NCc1c(F)ccc([O-])c1F)C1CC1 ZINC000352012665 134035943 /nfs/dbraw/zinc/03/59/43/134035943.db2.gz GELJZXYVBGFQPA-ZETCQYMHSA-N -1 3 227.254 2.559 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])c1cccnc1 ZINC000336123560 134091967 /nfs/dbraw/zinc/09/19/67/134091967.db2.gz DZONWKWBRJBASZ-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM Cc1cc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000336157642 134106712 /nfs/dbraw/zinc/10/67/12/134106712.db2.gz UQRCTPYYJKXAAU-MFKMUULPSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccn1 ZINC000184133175 134359247 /nfs/dbraw/zinc/35/92/47/134359247.db2.gz BASYHZZXKUTXAO-JTQLQIEISA-N -1 3 246.285 2.777 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2C)ccc1[O-] ZINC000227033354 134373898 /nfs/dbraw/zinc/37/38/98/134373898.db2.gz GJCZLBDTQQTUQA-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000235634775 134596887 /nfs/dbraw/zinc/59/68/87/134596887.db2.gz MSHZXHSNTBHYAS-JOYOIKCWSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)NC[C@H]2CC=CCC2)c([O-])c1 ZINC000044569564 322842501 /nfs/dbraw/zinc/84/25/01/322842501.db2.gz PDWNCDGNEDGYSH-LBPRGKRZSA-N -1 3 245.322 2.787 20 0 BFADHM C[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000070410748 134916633 /nfs/dbraw/zinc/91/66/33/134916633.db2.gz WOLWNSZISDATKN-LLVKDONJSA-N -1 3 233.311 2.797 20 0 BFADHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])C1CC1 ZINC000078490878 135128558 /nfs/dbraw/zinc/12/85/58/135128558.db2.gz UBUMQCXUCMSBLH-UHFFFAOYSA-N -1 3 245.200 2.760 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])c1cc[nH]c1 ZINC000334301356 135346972 /nfs/dbraw/zinc/34/69/72/135346972.db2.gz XIQNJDZLMXTQCT-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM Cc1cc(Cl)cc(CN(C)CCC(=O)[O-])c1 ZINC000263351382 135348864 /nfs/dbraw/zinc/34/88/64/135348864.db2.gz PSVFHDKRZSFPNG-UHFFFAOYSA-N -1 3 241.718 2.555 20 0 BFADHM Cc1nc(NC(=O)c2cc(C)ccc2[O-])cs1 ZINC000343036293 135351565 /nfs/dbraw/zinc/35/15/65/135351565.db2.gz XEVBBJNZMLXUIV-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)C[C@H]2C[C@H]2C1 ZINC000334369368 135372973 /nfs/dbraw/zinc/37/29/73/135372973.db2.gz NEAOJCUESXYIHF-QRJZZWFUSA-N -1 3 249.285 2.906 20 0 BFADHM C[C@H]1C[C@H]1c1noc(-c2ccccc2[O-])n1 ZINC000083811027 135457934 /nfs/dbraw/zinc/45/79/34/135457934.db2.gz LJNIFAWIQQCUTD-IONNQARKSA-N -1 3 216.240 2.566 20 0 BFADHM Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000345977806 135907006 /nfs/dbraw/zinc/90/70/06/135907006.db2.gz HTWXHGNYEUMKIJ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@@H]2C)n1 ZINC000347876066 136016817 /nfs/dbraw/zinc/01/68/17/136016817.db2.gz WVAOWTGLQPYXOO-ONGXEEELSA-N -1 3 248.326 2.860 20 0 BFADHM [O-]c1cccnc1CNC/C=C\c1ccccc1 ZINC000348015479 136021438 /nfs/dbraw/zinc/02/14/38/136021438.db2.gz XTLIMKITWPZQLS-YWEYNIOJSA-N -1 3 240.306 2.590 20 0 BFADHM CCc1[nH]ccc1C(=O)Nc1ccc([O-])cc1F ZINC000335312243 136030336 /nfs/dbraw/zinc/03/03/36/136030336.db2.gz LGQMRNSJOVZABS-UHFFFAOYSA-N -1 3 248.257 2.674 20 0 BFADHM [O-]c1cc(F)cc(CN2CC(C3CCC3)C2)c1 ZINC000348708291 136116672 /nfs/dbraw/zinc/11/66/72/136116672.db2.gz KVVUKMLYRPTJLZ-UHFFFAOYSA-N -1 3 235.302 2.763 20 0 BFADHM Cc1cc(C(=O)N(C)C2CCCC2)ccc1[O-] ZINC000202526370 397970134 /nfs/dbraw/zinc/97/01/34/397970134.db2.gz FTPDPLAKAOANJV-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CC[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000294330716 398125266 /nfs/dbraw/zinc/12/52/66/398125266.db2.gz RPRQGPQDPPVYTH-VIFPVBQESA-N -1 3 241.281 2.902 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000295778419 167276888 /nfs/dbraw/zinc/27/68/88/167276888.db2.gz XSMQITIHPWBWCL-LLVKDONJSA-N -1 3 221.300 2.636 20 0 BFADHM CO[C@@H](C)[C@@H](C)[N-]c1nc(-c2ccccc2)no1 ZINC000685927436 487598671 /nfs/dbraw/zinc/59/86/71/487598671.db2.gz XAYIUFUKUOSLRG-ZJUUUORDSA-N -1 3 247.298 2.572 20 0 BFADHM CCCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010484 487600708 /nfs/dbraw/zinc/60/07/08/487600708.db2.gz OOVPNOUIXWBVCR-UHFFFAOYSA-N -1 3 233.311 2.891 20 0 BFADHM CC1(C)CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000070259294 410014675 /nfs/dbraw/zinc/01/46/75/410014675.db2.gz HRTGXPQVYVJBDG-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H](C)c1ccc(F)cc1 ZINC000295552102 167275359 /nfs/dbraw/zinc/27/53/59/167275359.db2.gz LXTOHFWECVRJCV-JTQLQIEISA-N -1 3 239.290 2.776 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000651704975 411137509 /nfs/dbraw/zinc/13/75/09/411137509.db2.gz BOSBBTCFAZJSOS-GHMZBOCLSA-N -1 3 246.310 2.552 20 0 BFADHM CN(CC1=CCCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000401137341 411177727 /nfs/dbraw/zinc/17/77/27/411177727.db2.gz UCWHZCMSIVOPID-UHFFFAOYSA-N -1 3 245.322 2.927 20 0 BFADHM CCN(CCCCCC(=O)[O-])Cc1ccoc1 ZINC000652408210 411231393 /nfs/dbraw/zinc/23/13/93/411231393.db2.gz LLQAVUZDPJYFAN-UHFFFAOYSA-N -1 3 239.315 2.747 20 0 BFADHM Cc1cc(C(=O)NC2(C3CCC3)CC2)ccc1[O-] ZINC000652868539 411232187 /nfs/dbraw/zinc/23/21/87/411232187.db2.gz IXPNXIZOBMHDEH-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1C ZINC000652411208 411232367 /nfs/dbraw/zinc/23/23/67/411232367.db2.gz OEXMMYHUUPMIKJ-SECBINFHSA-N -1 3 237.299 2.525 20 0 BFADHM C[C@@H]1CC(C)(C)CN1Cc1ccoc1C(=O)[O-] ZINC000652418835 411237545 /nfs/dbraw/zinc/23/75/45/411237545.db2.gz PCWNRFWLFVISKV-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000051330278 411270476 /nfs/dbraw/zinc/27/04/76/411270476.db2.gz QCVQATMWAPCIKB-NXEZZACHSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@H]1CCC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000051330276 411270643 /nfs/dbraw/zinc/27/06/43/411270643.db2.gz QCVQATMWAPCIKB-UWVGGRQHSA-N -1 3 237.299 2.741 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000403508930 411349633 /nfs/dbraw/zinc/34/96/33/411349633.db2.gz BMWHMSDUPBQROX-SDDRHHMPSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1oc(CN2CCCC2(C)C)cc1C(=O)[O-] ZINC000063067585 411336755 /nfs/dbraw/zinc/33/67/55/411336755.db2.gz QPJUQNUCOPKUTC-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CC1CC(NCc2cccc([O-])c2Cl)C1 ZINC000293700702 168147033 /nfs/dbraw/zinc/14/70/33/168147033.db2.gz XBYSIMNGIRHABS-UHFFFAOYSA-N -1 3 225.719 2.934 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000069455941 168284804 /nfs/dbraw/zinc/28/48/04/168284804.db2.gz VBLBVWLJESHILI-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM O=C([O-])c1ccc2c(c1)CN(CC1CC=CC1)C2 ZINC000659790657 411456047 /nfs/dbraw/zinc/45/60/47/411456047.db2.gz JHFHSPODSIVFEZ-UHFFFAOYSA-N -1 3 243.306 2.667 20 0 BFADHM CCOC(=O)c1ccc([O-])c2ccccc12 ZINC000044200582 170296939 /nfs/dbraw/zinc/29/69/39/170296939.db2.gz JRVRZQUJARZNOS-UHFFFAOYSA-N -1 3 216.236 2.722 20 0 BFADHM CCN(Cc1cc(C)sc1C)[C@H](C)C(=O)[O-] ZINC000662216553 412029658 /nfs/dbraw/zinc/02/96/58/412029658.db2.gz PONPACFIWFARMA-SECBINFHSA-N -1 3 241.356 2.660 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000187423979 171159080 /nfs/dbraw/zinc/15/90/80/171159080.db2.gz KUQMYVKYGDMQOG-DGCLKSJQSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000037173913 171272014 /nfs/dbraw/zinc/27/20/14/171272014.db2.gz DWLHVUBBMOVMSD-JTQLQIEISA-N -1 3 235.327 2.819 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(F)cc1 ZINC000291692719 171289476 /nfs/dbraw/zinc/28/94/76/171289476.db2.gz DREGUFWAPMPWAQ-VIFPVBQESA-N -1 3 240.278 2.925 20 0 BFADHM CC[C@H](C)NCc1cccc([O-])c1Cl ZINC000294331054 171343439 /nfs/dbraw/zinc/34/34/39/171343439.db2.gz YPJQTGUAFCIDNF-QMMMGPOBSA-N -1 3 213.708 2.934 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000662357951 412122267 /nfs/dbraw/zinc/12/22/67/412122267.db2.gz ORHUDDSYVCKTPN-VIFPVBQESA-N -1 3 249.310 2.513 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000187423998 171687774 /nfs/dbraw/zinc/68/77/74/171687774.db2.gz KUQMYVKYGDMQOG-YPMHNXCESA-N -1 3 247.338 2.961 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H]2CC)c([O-])c1 ZINC000294214815 171785248 /nfs/dbraw/zinc/78/52/48/171785248.db2.gz YMOCKGZYMVGKRA-LLVKDONJSA-N -1 3 233.311 2.579 20 0 BFADHM CCc1ocnc1C(=O)Nc1ccc(C)cc1[O-] ZINC000336576995 172123778 /nfs/dbraw/zinc/12/37/78/172123778.db2.gz AOSMDFHDRKZXBR-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM CCn1cc([C@@H](C)[N-]c2nc(C(C)C)no2)cn1 ZINC000296061824 172194252 /nfs/dbraw/zinc/19/42/52/172194252.db2.gz RGVGGAYAISWPKA-SECBINFHSA-N -1 3 249.318 2.583 20 0 BFADHM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)[C@@H]1C ZINC000050566609 176095802 /nfs/dbraw/zinc/09/58/02/176095802.db2.gz DSCIXLNOTYOPTE-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1[O-] ZINC000019839877 176115330 /nfs/dbraw/zinc/11/53/30/176115330.db2.gz HJKVTEBBFDIQMM-GHMZBOCLSA-N -1 3 233.311 2.795 20 0 BFADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)[C@@H]1C ZINC000019840257 176122812 /nfs/dbraw/zinc/12/28/12/176122812.db2.gz GHATYPAGVHVCCS-JTNHKYCSSA-N -1 3 247.338 2.947 20 0 BFADHM C[C@@H]1CC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000335552824 176236995 /nfs/dbraw/zinc/23/69/95/176236995.db2.gz DQNUKDPRJKLEGJ-RDDDGLTNSA-N -1 3 239.702 2.574 20 0 BFADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OC/C=C/Cl ZINC000291808848 177139647 /nfs/dbraw/zinc/13/96/47/177139647.db2.gz LNXZQJSPMLHRBB-YEXVBOHQSA-N -1 3 231.723 2.613 20 0 BFADHM C[C@@H]1[C@@H](C)CCN1Cc1c(F)ccc([O-])c1F ZINC000294202837 177163831 /nfs/dbraw/zinc/16/38/31/177163831.db2.gz KXLDYWPMOPFYIO-DTWKUNHWSA-N -1 3 241.281 2.901 20 0 BFADHM C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000295249409 177163934 /nfs/dbraw/zinc/16/39/34/177163934.db2.gz FUUBSZLQVYAUFH-QMMMGPOBSA-N -1 3 227.254 2.512 20 0 BFADHM C[C@H]1CC[C@@H]1NCc1c(F)ccc([O-])c1F ZINC000336383924 177194848 /nfs/dbraw/zinc/19/48/48/177194848.db2.gz WSPAQHRNCGFAIF-XVKPBYJWSA-N -1 3 227.254 2.559 20 0 BFADHM C[C@H]1CC[C@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000291762001 177201345 /nfs/dbraw/zinc/20/13/45/177201345.db2.gz HXTCIJUTKBZSAR-PSJTYZLDSA-N -1 3 231.723 2.613 20 0 BFADHM O=C(Nc1ccccc1[O-])c1coc(C2CC2)n1 ZINC000680847534 487657490 /nfs/dbraw/zinc/65/74/90/487657490.db2.gz CFUZFJJJOSVSBZ-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM CCCCNC(=O)c1cc(SC)ccc1[O-] ZINC000665097524 487663733 /nfs/dbraw/zinc/66/37/33/487663733.db2.gz AAFQGWWWBQOPRK-UHFFFAOYSA-N -1 3 239.340 2.644 20 0 BFADHM CC(C)OC(=O)c1ccc(Cl)cc1[O-] ZINC000057470532 322937518 /nfs/dbraw/zinc/93/75/18/322937518.db2.gz NBGZUQLTUJNIBX-UHFFFAOYSA-N -1 3 214.648 2.611 20 0 BFADHM CCCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612154 487670407 /nfs/dbraw/zinc/67/04/07/487670407.db2.gz FMCNVNJPGZZWSJ-CQSZACIVSA-N -1 3 247.338 2.861 20 0 BFADHM CCC[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000233336770 487710214 /nfs/dbraw/zinc/71/02/14/487710214.db2.gz KDQITQRIZCEJCX-JTQLQIEISA-N -1 3 233.311 2.889 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CC12CCC2 ZINC000675408140 487723601 /nfs/dbraw/zinc/72/36/01/487723601.db2.gz IUKPJUZEMWBVEM-SECBINFHSA-N -1 3 217.268 2.521 20 0 BFADHM COc1ccc(NC(=O)[C@H](C)C2CCC2)c([O-])c1 ZINC000457748096 487786376 /nfs/dbraw/zinc/78/63/76/487786376.db2.gz YKYJHVYSGHVTDJ-SECBINFHSA-N -1 3 249.310 2.776 20 0 BFADHM CC(C)C(NC(=O)c1ccccc1[O-])C(C)C ZINC000676328416 487837749 /nfs/dbraw/zinc/83/77/49/487837749.db2.gz CLUGMSUVTSBWJM-UHFFFAOYSA-N -1 3 235.327 2.803 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](C)C1 ZINC000011802127 487889358 /nfs/dbraw/zinc/88/93/58/487889358.db2.gz UIAAVBIWMOUVCS-SECBINFHSA-N -1 3 237.299 2.518 20 0 BFADHM C[C@@H](CC(=O)Nc1ccccc1[O-])[C@@H]1CCCO1 ZINC000666920949 487906532 /nfs/dbraw/zinc/90/65/32/487906532.db2.gz IUJMWMNPGHNUIS-GWCFXTLKSA-N -1 3 249.310 2.536 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000048517715 487922188 /nfs/dbraw/zinc/92/21/88/487922188.db2.gz OQKXPWFHDUNAEE-JTQLQIEISA-N -1 3 235.327 2.927 20 0 BFADHM Cc1oc([C@@H](C)N2CC[C@@H](C)C2)cc1C(=O)[O-] ZINC000571291907 323140462 /nfs/dbraw/zinc/14/04/62/323140462.db2.gz WTQOCPQWXGSJFO-RKDXNWHRSA-N -1 3 237.299 2.689 20 0 BFADHM CC(C)c1ccc(C(=O)NCC2CC2)c([O-])c1 ZINC000048543622 323153829 /nfs/dbraw/zinc/15/38/29/323153829.db2.gz GYFOQEQYCUGYLQ-UHFFFAOYSA-N -1 3 233.311 2.655 20 0 BFADHM CC[C@H](C)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049179936 323158534 /nfs/dbraw/zinc/15/85/34/323158534.db2.gz CLQUAZJCKDLSRU-JTQLQIEISA-N -1 3 247.338 2.799 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000399295032 323203100 /nfs/dbraw/zinc/20/31/00/323203100.db2.gz JPFVFYYIJYDZFH-OAHLLOKOSA-N -1 3 247.338 2.963 20 0 BFADHM CCC[C@H](OCC)C(=O)Nc1ccccc1[O-] ZINC000528113676 323766664 /nfs/dbraw/zinc/76/66/64/323766664.db2.gz IXLUJGXOKOKQBL-LBPRGKRZSA-N -1 3 237.299 2.536 20 0 BFADHM CCc1[n-][nH]c(=NC(=O)C2(CC)CCCC2)c1C ZINC000572496251 324133388 /nfs/dbraw/zinc/13/33/88/324133388.db2.gz GQSZUDMCUKKDRP-UHFFFAOYSA-N -1 3 249.358 2.611 20 0 BFADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccco1 ZINC000528966480 324225706 /nfs/dbraw/zinc/22/57/06/324225706.db2.gz UBYHPXKSOGLBQJ-JTQLQIEISA-N -1 3 237.299 2.764 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC23CC3)n1 ZINC000529203916 324259552 /nfs/dbraw/zinc/25/95/52/324259552.db2.gz YVALUICSONVXEE-JTQLQIEISA-N -1 3 246.310 2.614 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@H]2C(C)C)c1[O-] ZINC000538338680 324671886 /nfs/dbraw/zinc/67/18/86/324671886.db2.gz YWLUPIRCNWQQFP-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(/C=C/C(=O)Nc2ccccc2[O-])o1 ZINC000127485846 324771153 /nfs/dbraw/zinc/77/11/53/324771153.db2.gz PEJULPHIKRWZFW-CMDGGOBGSA-N -1 3 243.262 2.946 20 0 BFADHM C[C@H](C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000128342513 324828407 /nfs/dbraw/zinc/82/84/07/324828407.db2.gz RSPAKFXCDNNECO-ZETCQYMHSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H](C)CC2)c1[O-] ZINC000070157999 324995847 /nfs/dbraw/zinc/99/58/47/324995847.db2.gz NYZXQTYSCZINND-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccsc1 ZINC000130198153 325023124 /nfs/dbraw/zinc/02/31/24/325023124.db2.gz XTUMBZXHJBKORA-MRVPVSSYSA-N -1 3 248.307 2.591 20 0 BFADHM C[C@H](C(=O)Nc1ncccc1[O-])c1cccs1 ZINC000130200783 325023356 /nfs/dbraw/zinc/02/33/56/325023356.db2.gz FJCIODDWTIDYAJ-QMMMGPOBSA-N -1 3 248.307 2.591 20 0 BFADHM C/C(=C\c1cccc([O-])c1)c1cnccn1 ZINC000542782226 325047497 /nfs/dbraw/zinc/04/74/97/325047497.db2.gz PWTWIRMMKUXNSH-JXMROGBWSA-N -1 3 212.252 2.743 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000132939836 325255141 /nfs/dbraw/zinc/25/51/41/325255141.db2.gz BWFYAQOTOKOIJO-MWLCHTKSSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C(C)C)C2)c1[O-] ZINC000134966970 325384912 /nfs/dbraw/zinc/38/49/12/325384912.db2.gz ABBGFLNOZNKNPJ-GFCCVEGCSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1ccc(C(=O)NC[C@H](C)C2CC2)c([O-])c1 ZINC000682474560 487968978 /nfs/dbraw/zinc/96/89/78/487968978.db2.gz CVAKHBOFTNJWAX-JTQLQIEISA-N -1 3 247.338 2.731 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1ccccn1 ZINC000552432339 325636361 /nfs/dbraw/zinc/63/63/61/325636361.db2.gz CGKDFFAPPYXSDQ-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C([O-])c1ccoc1CN(C1CC1)C1CCCC1 ZINC000566743988 326079925 /nfs/dbraw/zinc/07/99/25/326079925.db2.gz VSTIYAXSBYVFPD-UHFFFAOYSA-N -1 3 249.310 2.885 20 0 BFADHM CCc1cccc(C(=O)N(C)CCC2CC2)c1[O-] ZINC000154000243 326124414 /nfs/dbraw/zinc/12/44/14/326124414.db2.gz MMNZDVOCGYJBGE-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CN(CCC(=O)[O-])Cc1cccc(C(F)F)c1 ZINC000156403631 326231627 /nfs/dbraw/zinc/23/16/27/326231627.db2.gz AWQOMNRMUHRUPS-UHFFFAOYSA-N -1 3 243.253 2.531 20 0 BFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cccc([O-])c1F ZINC000568838127 326378827 /nfs/dbraw/zinc/37/88/27/326378827.db2.gz STGRFOMENVACPQ-UTLUCORTSA-N -1 3 249.285 2.906 20 0 BFADHM CC[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000037083576 488021768 /nfs/dbraw/zinc/02/17/68/488021768.db2.gz HEJWRQHECLLQOM-NSHDSACASA-N -1 3 237.299 2.742 20 0 BFADHM [O-]c1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1Cl ZINC000668678529 488104598 /nfs/dbraw/zinc/10/45/98/488104598.db2.gz LEWHBDFYYZDSMD-MWLCHTKSSA-N -1 3 237.730 2.887 20 0 BFADHM C[C@H](NC(=O)c1ccccc1[O-])c1ccsc1 ZINC000061367929 487473984 /nfs/dbraw/zinc/47/39/84/487473984.db2.gz QZNAKFOFMMKVOC-VIFPVBQESA-N -1 3 247.319 2.945 20 0 BFADHM CC(F)(F)CCC(=O)Nc1ccc([O-])cc1F ZINC000679920570 487488057 /nfs/dbraw/zinc/48/80/57/487488057.db2.gz XESVFTAHYRBFKQ-UHFFFAOYSA-N -1 3 247.216 2.905 20 0 BFADHM CC[C@@H](C)COc1ccc2c([O-])coc2c1 ZINC000062805306 487502516 /nfs/dbraw/zinc/50/25/16/487502516.db2.gz RZVULCOAHOQSML-SECBINFHSA-N -1 3 220.268 2.687 20 0 BFADHM Cc1cnc(Sc2ccc([O-])cc2)nc1 ZINC000063049148 487510718 /nfs/dbraw/zinc/51/07/18/487510718.db2.gz RMLANKARAAHRGH-UHFFFAOYSA-N -1 3 218.281 2.642 20 0 BFADHM C[C@H]1CC[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC000664137285 488183067 /nfs/dbraw/zinc/18/30/67/488183067.db2.gz ZDWOHNLYKWDXMV-VHSXEESVSA-N -1 3 232.279 2.829 20 0 BFADHM [O-]c1coc2cc(OCCC3CCC3)ccc12 ZINC000398791128 488224492 /nfs/dbraw/zinc/22/44/92/488224492.db2.gz KMKQOCHEVLGOKP-UHFFFAOYSA-N -1 3 232.279 2.831 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC=CCC2)c([O-])c1 ZINC000679329875 488340357 /nfs/dbraw/zinc/34/03/57/488340357.db2.gz NKNFHCGCEQLXGO-UHFFFAOYSA-N -1 3 245.322 2.918 20 0 BFADHM O=C(CCc1ccccc1)[N-]OC1CCCC1 ZINC000074581282 490306215 /nfs/dbraw/zinc/30/62/15/490306215.db2.gz LPYHMMBANQPIEU-UHFFFAOYSA-N -1 3 233.311 2.610 20 0 BFADHM [O-]c1ccccc1-c1nc(C2CCC2)no1 ZINC000083137387 491159953 /nfs/dbraw/zinc/15/99/53/491159953.db2.gz WZSNZGVIFZGUEQ-UHFFFAOYSA-N -1 3 216.240 2.710 20 0 BFADHM Cc1cccc(/C=C/C(=O)[N-]OC2CCC2)c1 ZINC000493853718 534574371 /nfs/dbraw/zinc/57/43/71/534574371.db2.gz WOFWPGJKPCAOPS-CMDGGOBGSA-N -1 3 231.295 2.609 20 0 BFADHM Cc1cccc(/C=C\C(=O)[N-]OC2CCC2)c1 ZINC000493853719 534578017 /nfs/dbraw/zinc/57/80/17/534578017.db2.gz WOFWPGJKPCAOPS-HJWRWDBZSA-N -1 3 231.295 2.609 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1ccc([O-])c(F)c1 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235.283 2.566 20 0 BFADHM CCOc1ccc(C[N-]c2nc(C3CC3)no2)o1 ZINC000902048403 584516574 /nfs/dbraw/zinc/51/65/74/584516574.db2.gz FEJFZCGLSCFNNO-UHFFFAOYSA-N -1 3 249.270 2.551 20 0 BFADHM CCCCN(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902049936 584517302 /nfs/dbraw/zinc/51/73/02/584517302.db2.gz LDOVFWDUAVUHAC-BQYQJAHWSA-N -1 3 237.299 2.609 20 0 BFADHM C[C@@H]1CCC[C@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902228868 584542123 /nfs/dbraw/zinc/54/21/23/584542123.db2.gz RVYPUEHRIUMDST-SBBASKNESA-N -1 3 249.310 2.656 20 0 BFADHM O=C([O-])/C=C/c1ccc(CN[C@H]2CC=CCC2)o1 ZINC000902265020 584549069 /nfs/dbraw/zinc/54/90/69/584549069.db2.gz UZEJBNYWWRDUQJ-FBOQAHMBSA-N -1 3 247.294 2.576 20 0 BFADHM O=C([O-])/C=C\c1ccc(CN[C@H]2CC=CCC2)o1 ZINC000902265021 584549280 /nfs/dbraw/zinc/54/92/80/584549280.db2.gz UZEJBNYWWRDUQJ-IQQGHNRFSA-N -1 3 247.294 2.576 20 0 BFADHM CCC1(NCc2ccc(/C=C\C(=O)[O-])o2)CCC1 ZINC000902278345 584550741 /nfs/dbraw/zinc/55/07/41/584550741.db2.gz AGZZWTNCVLUEQA-SREVYHEPSA-N -1 3 249.310 2.800 20 0 BFADHM CCC[C@@H]1C[C@H]1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902451592 584607304 /nfs/dbraw/zinc/60/73/04/584607304.db2.gz FXDRIFHRCSYRIM-QTSSUADMSA-N -1 3 249.310 2.656 20 0 BFADHM CC(C)N(Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000902519501 584630700 /nfs/dbraw/zinc/63/07/00/584630700.db2.gz OHPAOCXHUVFPAW-BQYQJAHWSA-N -1 3 249.310 2.750 20 0 BFADHM Cc1cc(CN2CCCC23CCC3)oc1C(=O)[O-] ZINC000903631297 584788112 /nfs/dbraw/zinc/78/81/12/584788112.db2.gz MKESYQHSSDWEBC-UHFFFAOYSA-N -1 3 249.310 2.805 20 0 BFADHM Cc1cnc([C@H](C)OC(=O)c2ccc([O-])cc2)o1 ZINC000770911864 584986706 /nfs/dbraw/zinc/98/67/06/584986706.db2.gz FFNUJJQWGSPZGM-VIFPVBQESA-N -1 3 247.250 2.607 20 0 BFADHM C/C=C\CSCc1ccccc1-c1nnn[n-]1 ZINC000736304180 584996575 /nfs/dbraw/zinc/99/65/75/584996575.db2.gz LVWYMICTXLHFBN-IHWYPQMZSA-N -1 3 246.339 2.676 20 0 BFADHM C/C=C\CSCc1ccccc1-c1nn[n-]n1 ZINC000736304180 584996576 /nfs/dbraw/zinc/99/65/76/584996576.db2.gz LVWYMICTXLHFBN-IHWYPQMZSA-N -1 3 246.339 2.676 20 0 BFADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000867007423 585098920 /nfs/dbraw/zinc/09/89/20/585098920.db2.gz ZITWWRUSKSDUCW-APHKKCJPSA-N -1 3 249.285 2.762 20 0 BFADHM C/C(=C/C(=O)Nc1ncccc1[O-])C(C)(C)C ZINC000748007716 585186474 /nfs/dbraw/zinc/18/64/74/585186474.db2.gz GHPJBBFONYJFRZ-HJWRWDBZSA-N -1 3 234.299 2.718 20 0 BFADHM O=C(Nc1ccncc1[O-])C1CCCCCCC1 ZINC000748312521 585190518 /nfs/dbraw/zinc/19/05/18/585190518.db2.gz NJKSBWDGHRGCDU-UHFFFAOYSA-N -1 3 248.326 2.508 20 0 BFADHM CCCC[C@@H](CC)C(=O)[N-]O[C@H]1CCCCO1 ZINC000749619291 585204352 /nfs/dbraw/zinc/20/43/52/585204352.db2.gz MMUYFBKOHOPBLI-NEPJUHHUSA-N -1 3 243.347 2.777 20 0 BFADHM CC1(CC(=O)[N-]C2=NCCS2)CCCCC1 ZINC000753071238 585252912 /nfs/dbraw/zinc/25/29/12/585252912.db2.gz YUMNQWONLLJZDP-UHFFFAOYSA-N -1 3 240.372 2.566 20 0 BFADHM C[C@@H](CCC(C)(C)C)C(=O)[N-]C1=NCCS1 ZINC000754058201 585276591 /nfs/dbraw/zinc/27/65/91/585276591.db2.gz MZQWYECBADQUCP-VIFPVBQESA-N -1 3 242.388 2.668 20 0 BFADHM 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ZINC000759927626 585382417 /nfs/dbraw/zinc/38/24/17/585382417.db2.gz KNMQHGRBNJKPNG-UHFFFAOYSA-N -1 3 244.241 2.622 20 0 BFADHM CCc1ccc(NC([O-])=NOCC(F)F)cc1 ZINC000759927588 585383019 /nfs/dbraw/zinc/38/30/19/585383019.db2.gz JVNLFHLOYFXODZ-UHFFFAOYSA-N -1 3 244.241 2.567 20 0 BFADHM CCc1ccc(NC(=O)[N-]OCC(F)F)cc1 ZINC000759927588 585383020 /nfs/dbraw/zinc/38/30/20/585383020.db2.gz JVNLFHLOYFXODZ-UHFFFAOYSA-N -1 3 244.241 2.567 20 0 BFADHM CCO[N-]C(=O)Nc1cccc2ccsc21 ZINC000759993597 585383894 /nfs/dbraw/zinc/38/38/94/585383894.db2.gz JNRXBKONPZYWFP-UHFFFAOYSA-N -1 3 236.296 2.974 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(CC)c(C)c1 ZINC000760005749 585384328 /nfs/dbraw/zinc/38/43/28/585384328.db2.gz WYDFSZGTMGPNFX-UHFFFAOYSA-N -1 3 222.288 2.630 20 0 BFADHM CCC(CC)[C@H](C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000761600356 585417561 /nfs/dbraw/zinc/41/75/61/585417561.db2.gz DCFUDJSMSPSNCI-CMPLNLGQSA-N -1 3 243.347 2.633 20 0 BFADHM Cc1cc(=O)[n-]c(CS[C@@H](C)C(C)C)n1 ZINC000761864814 585421066 /nfs/dbraw/zinc/42/10/66/585421066.db2.gz KEEIMSAGZVILPF-VIFPVBQESA-N -1 3 226.345 2.768 20 0 BFADHM Cc1ccsc1C=Cc1nccc(=O)[n-]1 ZINC000764433879 585465333 /nfs/dbraw/zinc/46/53/33/585465333.db2.gz GVEQRVBGURRAIO-IHWYPQMZSA-N -1 3 218.281 2.723 20 0 BFADHM Cc1ccc(C)c(C=Cc2nccc(=O)[n-]2)c1 ZINC000764436895 585465674 /nfs/dbraw/zinc/46/56/74/585465674.db2.gz WXGWUAYULJQTQG-WAYWQWQTSA-N -1 3 226.279 2.969 20 0 BFADHM CC(C)CC(C)(C)C(=O)[N-]OCC(F)(F)F ZINC000766764994 585508030 /nfs/dbraw/zinc/50/80/30/585508030.db2.gz OWLVAVQZSWOPRB-UHFFFAOYSA-N -1 3 241.253 2.669 20 0 BFADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OC1CCCC1 ZINC000769009764 585547163 /nfs/dbraw/zinc/54/71/63/585547163.db2.gz PZANTTINRMETLC-GHMZBOCLSA-N -1 3 225.332 2.803 20 0 BFADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OC1CCCC1 ZINC000769009765 585547227 /nfs/dbraw/zinc/54/72/27/585547227.db2.gz PZANTTINRMETLC-MNOVXSKESA-N -1 3 225.332 2.803 20 0 BFADHM CCC/C=C\C(=O)NCc1ccc([O-])c(F)c1 ZINC000769554720 585559239 /nfs/dbraw/zinc/55/92/39/585559239.db2.gz DNOJCBZPPAJMAR-PLNGDYQASA-N -1 3 237.274 2.504 20 0 BFADHM C[C@H]1CCC[C@@H](COC(=O)c2cncc([O-])c2)C1 ZINC000770973688 585586072 /nfs/dbraw/zinc/58/60/72/585586072.db2.gz YIHWSUKZGLZOAO-WDEREUQCSA-N -1 3 249.310 2.770 20 0 BFADHM CCC(CC)OC(=O)c1c([O-])cccc1F ZINC000772579432 585618303 /nfs/dbraw/zinc/61/83/03/585618303.db2.gz KUIATVDHTKXNJH-UHFFFAOYSA-N -1 3 226.247 2.877 20 0 BFADHM CC(C)=C(C)C(=O)Nc1ccc([O-])cc1F ZINC000773698577 585642498 /nfs/dbraw/zinc/64/24/98/585642498.db2.gz JZQDZHSOZGCHRN-UHFFFAOYSA-N -1 3 223.247 2.826 20 0 BFADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccncc1 ZINC000775274871 585674564 /nfs/dbraw/zinc/67/45/64/585674564.db2.gz CDFZSEKZRLSCJL-NSHDSACASA-N -1 3 248.326 2.566 20 0 BFADHM O=C(CC1CCCC1)[N-]OC1CCCCC1 ZINC000777963766 585724352 /nfs/dbraw/zinc/72/43/52/585724352.db2.gz ZKOSTQULKRKLMR-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM Cc1ccc(CC(=O)[N-]OC2CCCCC2)cc1 ZINC000777961339 585724357 /nfs/dbraw/zinc/72/43/57/585724357.db2.gz DJULWVWXLOUUFE-UHFFFAOYSA-N -1 3 247.338 2.918 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@H]1CC12CCC2 ZINC000777962988 585724632 /nfs/dbraw/zinc/72/46/32/585724632.db2.gz HQVZCYGRFHFQLY-LLVKDONJSA-N -1 3 223.316 2.557 20 0 BFADHM CS/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000778951612 585742479 /nfs/dbraw/zinc/74/24/79/585742479.db2.gz VBSNZLINKCHDQN-CLFYSBASSA-N -1 3 249.335 2.548 20 0 BFADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])nc1 ZINC000778958811 585742968 /nfs/dbraw/zinc/74/29/68/585742968.db2.gz QSWYBILKCQQBBP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCCC1(C(=O)[N-]OC2CCCCC2)CC1 ZINC000779316554 585750614 /nfs/dbraw/zinc/75/06/14/585750614.db2.gz FVRGGZSDEPEDSP-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM Cc1ccc([O-])c(C(=O)NOC2CCCCC2)c1 ZINC000779321293 585750940 /nfs/dbraw/zinc/75/09/40/585750940.db2.gz HWRUKQSZLYHWPU-UHFFFAOYSA-N -1 3 249.310 2.695 20 0 BFADHM CC1(C(=O)[N-]OC2CCCCC2)CCCC1 ZINC000779323297 585751297 /nfs/dbraw/zinc/75/12/97/585751297.db2.gz MFMNUBPGBQUYBX-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM O=C([N-]OC1CCCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000779324066 585751368 /nfs/dbraw/zinc/75/13/68/585751368.db2.gz YBLCIGPTMJLWFQ-ITGUQSILSA-N -1 3 237.343 2.803 20 0 BFADHM O=c1ccnc(C=Cc2scnc2C2CC2)[n-]1 ZINC000782341203 585815671 /nfs/dbraw/zinc/81/56/71/585815671.db2.gz IGGFKWXKSYWCBW-ONEGZZNKSA-N -1 3 245.307 2.687 20 0 BFADHM CCCC(C)(C)CC(=O)[N-]OCC(C)C ZINC000785197551 585871554 /nfs/dbraw/zinc/87/15/54/585871554.db2.gz ILBHOPDTZPHZIB-UHFFFAOYSA-N -1 3 215.337 2.907 20 0 BFADHM CC(=O)CCCCOC(=O)c1cc2occc2[n-]1 ZINC000786029884 585885688 /nfs/dbraw/zinc/88/56/88/585885688.db2.gz ITVFHSJDFCMQKF-UHFFFAOYSA-N -1 3 249.266 2.677 20 0 BFADHM O=C(OCC1CCC1)c1cc2occc2[n-]1 ZINC000786033982 585885814 /nfs/dbraw/zinc/88/58/14/585885814.db2.gz VUPQPAHUKKPESQ-UHFFFAOYSA-N -1 3 219.240 2.718 20 0 BFADHM CC(C)(C)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786029909 585885828 /nfs/dbraw/zinc/88/58/28/585885828.db2.gz JHUWTKCRFUYUTR-UHFFFAOYSA-N -1 3 249.266 2.533 20 0 BFADHM CSCCO[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000794184137 586033821 /nfs/dbraw/zinc/03/38/21/586033821.db2.gz PILLTTVKPZAJOS-QWRGUYRKSA-N -1 3 245.388 2.614 20 0 BFADHM CSCCO[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000794184584 586034496 /nfs/dbraw/zinc/03/44/96/586034496.db2.gz RZWJBSAKWGGQPO-SNVBAGLBSA-N -1 3 247.404 2.860 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC000794855732 586050565 /nfs/dbraw/zinc/05/05/65/586050565.db2.gz XXAZRPXUPUEZRK-VHSXEESVSA-N -1 3 249.301 2.906 20 0 BFADHM CCc1ccc(CC(=O)[N-]OC[C@H](C)CC)cc1 ZINC000794854716 586051257 /nfs/dbraw/zinc/05/12/57/586051257.db2.gz WMJBCBZTBZZVFP-GFCCVEGCSA-N -1 3 249.354 2.885 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(C)c1 ZINC000794853195 586051354 /nfs/dbraw/zinc/05/13/54/586051354.db2.gz MLWVWMADVPIBJV-NSHDSACASA-N -1 3 235.327 2.631 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)C1CC1 ZINC000794861806 586052007 /nfs/dbraw/zinc/05/20/07/586052007.db2.gz ABIZLMLEEIICKG-VHSXEESVSA-N -1 3 213.321 2.517 20 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CC/C=C(\C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000808188784 586466926 /nfs/dbraw/zinc/46/69/26/586466926.db2.gz DHBZINPVPABMNS-RMKNXTFCSA-N -1 3 247.294 2.890 20 0 BFADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1c(C)noc1C ZINC000808465248 586474404 /nfs/dbraw/zinc/47/44/04/586474404.db2.gz MGCDUEOQXSAVFX-QMMMGPOBSA-N -1 3 246.257 2.514 20 0 BFADHM Cc1ccc(NC([O-])=NOC/C=C\Cl)cc1 ZINC000810141972 586535479 /nfs/dbraw/zinc/53/54/79/586535479.db2.gz RIVUPWWTPSLVKU-UQCOIBPSSA-N -1 3 240.690 2.801 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC/C=C\Cl)cc1 ZINC000810141972 586535480 /nfs/dbraw/zinc/53/54/80/586535480.db2.gz RIVUPWWTPSLVKU-UQCOIBPSSA-N -1 3 240.690 2.801 20 0 BFADHM Cc1ccccc1NC([O-])=NOC/C=C\Cl ZINC000810142396 586535706 /nfs/dbraw/zinc/53/57/06/586535706.db2.gz YRUAIWUXNJYTPC-DAXSKMNVSA-N -1 3 240.690 2.801 20 0 BFADHM Cc1ccccc1NC(=O)[N-]OC/C=C\Cl ZINC000810142396 586535708 /nfs/dbraw/zinc/53/57/08/586535708.db2.gz YRUAIWUXNJYTPC-DAXSKMNVSA-N -1 3 240.690 2.801 20 0 BFADHM [O-]C(=NOC/C=C/Cl)Nc1ccsc1 ZINC000810193985 586536780 /nfs/dbraw/zinc/53/67/80/586536780.db2.gz KYKDBELMMAZVGI-HNQUOIGGSA-N -1 3 232.692 2.554 20 0 BFADHM O=C([N-]OC/C=C/Cl)Nc1ccsc1 ZINC000810193985 586536782 /nfs/dbraw/zinc/53/67/82/586536782.db2.gz KYKDBELMMAZVGI-HNQUOIGGSA-N -1 3 232.692 2.554 20 0 BFADHM CC(C)c1scnc1C(=O)[N-]c1ccon1 ZINC000810862804 586548825 /nfs/dbraw/zinc/54/88/25/586548825.db2.gz LYOOUHKVOFMQTA-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM CCc1cc(C(=O)O[C@@H](C)CC)ccc1[O-] ZINC000811306382 586557835 /nfs/dbraw/zinc/55/78/35/586557835.db2.gz PWIKHWIKVCSTNF-VIFPVBQESA-N -1 3 222.284 2.910 20 0 BFADHM Cc1ccc(NC([O-])=NOC/C=C/Cl)s1 ZINC000811813475 586567203 /nfs/dbraw/zinc/56/72/03/586567203.db2.gz VCTPFHKYGJMCDC-GORDUTHDSA-N -1 3 246.719 2.862 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC/C=C/Cl)s1 ZINC000811813475 586567204 /nfs/dbraw/zinc/56/72/04/586567204.db2.gz VCTPFHKYGJMCDC-GORDUTHDSA-N -1 3 246.719 2.862 20 0 BFADHM O=C(C[C@H]1C=CCCC1)[N-]OC/C=C\Cl ZINC000812409459 586576435 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OSZTUTHJPLDLDC-UHFFFAOYSA-N -1 3 238.262 2.679 20 0 BFADHM O=C([N-]OCCC1CC1)Nc1ccccc1F ZINC000814189402 586616295 /nfs/dbraw/zinc/61/62/95/586616295.db2.gz OSZTUTHJPLDLDC-UHFFFAOYSA-N -1 3 238.262 2.679 20 0 BFADHM O=C([N-]OCC1CC1)Nc1ccc2[nH]ccc2c1 ZINC000814627076 586626655 /nfs/dbraw/zinc/62/66/55/586626655.db2.gz CYKMUANELVLHRI-UHFFFAOYSA-N -1 3 245.282 2.631 20 0 BFADHM C=C=CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000816701476 586758957 /nfs/dbraw/zinc/75/89/57/586758957.db2.gz WLZPOOPOGKBMET-UHFFFAOYSA-N -1 3 231.295 2.587 20 0 BFADHM CC(C)(C)C(C)(C)C(=O)[N-]OC/C=C\Cl ZINC000816779369 586763403 /nfs/dbraw/zinc/76/34/03/586763403.db2.gz DBJWQXOVCKKHBB-SREVYHEPSA-N -1 3 233.739 2.859 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000816976073 586776222 /nfs/dbraw/zinc/77/62/22/586776222.db2.gz VOSQAXOQQBFHRX-HNCHTBHHSA-N -1 3 225.332 2.517 20 0 BFADHM CC(C)(C)CCCC(=O)[N-]OCC1CC1 ZINC000817330288 586794149 /nfs/dbraw/zinc/79/41/49/586794149.db2.gz KMWXEJYGPDXDOU-UHFFFAOYSA-N 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GSCBMJYSEBHWBL-UHFFFAOYSA-N -1 3 238.649 2.829 20 0 BFADHM [O-]c1cc(Cl)ccc1-c1cccc2ncnn21 ZINC001244469408 986145834 /nfs/dbraw/zinc/14/58/34/986145834.db2.gz GSQOSERYQNSXHK-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(-c2ccc(Cl)cc2[O-])cnc1N ZINC001244471840 986157903 /nfs/dbraw/zinc/15/79/03/986157903.db2.gz KKQGCQMKZNVJSN-UHFFFAOYSA-N -1 3 234.686 2.998 20 0 BFADHM CCc1cncnc1-c1cc(C)c(F)c([O-])c1 ZINC001244505778 986202713 /nfs/dbraw/zinc/20/27/13/986202713.db2.gz JYPUOCSOVRDZDI-UHFFFAOYSA-N -1 3 232.258 2.859 20 0 BFADHM COc1cncc(-c2cc(C)c(F)c([O-])c2)c1 ZINC001244517183 986215854 /nfs/dbraw/zinc/21/58/54/986215854.db2.gz KZWHBFRUUHNQCT-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1cc(-c2ccn3ncnc3c2)cc([O-])c1F ZINC001244514781 986217913 /nfs/dbraw/zinc/21/79/13/986217913.db2.gz CAZDZVVSDVWUIU-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM COc1c(C)ncnc1-c1cc(C)c(F)c([O-])c1 ZINC001244517159 986220038 /nfs/dbraw/zinc/22/00/38/986220038.db2.gz JYDYGNBRTATUGA-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM CCOc1ncc(-c2cc(C)c(F)c([O-])c2)cn1 ZINC001244514732 986220591 /nfs/dbraw/zinc/22/05/91/986220591.db2.gz ANGDXPJOSQZIHK-UHFFFAOYSA-N -1 3 248.257 2.695 20 0 BFADHM Cc1cc(-c2ccc3ncnn3c2)cc([O-])c1F ZINC001244518352 986220640 /nfs/dbraw/zinc/22/06/40/986220640.db2.gz UCRYSRXXJPTONQ-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM Cc1cc(-c2ncnc(C)c2C)cc([O-])c1F ZINC001244507758 986221119 /nfs/dbraw/zinc/22/11/19/986221119.db2.gz XTXOWDFLECEINR-UHFFFAOYSA-N -1 3 232.258 2.914 20 0 BFADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)cnc1N ZINC001244520067 986229419 /nfs/dbraw/zinc/22/94/19/986229419.db2.gz JBGJJMHGZKXTGL-UHFFFAOYSA-N -1 3 232.258 2.792 20 0 BFADHM Cc1cc(-c2ccc(N)cn2)cc(Cl)c1[O-] ZINC001244530432 986234267 /nfs/dbraw/zinc/23/42/67/986234267.db2.gz NQTADKMUUPAKAA-UHFFFAOYSA-N -1 3 234.686 2.998 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cnc(F)nc1F ZINC001245052739 986610959 /nfs/dbraw/zinc/61/09/59/986610959.db2.gz STYQFOUVCCEYNO-UHFFFAOYSA-N -1 3 242.612 2.781 20 0 BFADHM O=c1occcc1-c1cc(Cl)ccc1[O-] ZINC001245054708 986611060 /nfs/dbraw/zinc/61/10/60/986611060.db2.gz LLULNBGNDUDWAM-UHFFFAOYSA-N -1 3 222.627 2.666 20 0 BFADHM Cc1ncncc1-c1cc(Cl)ccc1[O-] ZINC001245051315 986611900 /nfs/dbraw/zinc/61/19/00/986611900.db2.gz YDPOJMOLKGTFIW-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cncc2nccn21 ZINC001245050741 986611954 /nfs/dbraw/zinc/61/19/54/986611954.db2.gz MTPXTNHETUTYJD-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cncc2nnoc21 ZINC001245058841 986615762 /nfs/dbraw/zinc/61/57/62/986615762.db2.gz YGRMHHJAEGAPAE-UHFFFAOYSA-N -1 3 247.641 2.644 20 0 BFADHM Nc1cnc(-c2ccc([O-])cc2Cl)c(F)c1 ZINC001245080072 986646737 /nfs/dbraw/zinc/64/67/37/986646737.db2.gz YFAXILYAVYIMIV-UHFFFAOYSA-N -1 3 238.649 2.829 20 0 BFADHM [O-]c1ccc(-c2cccn3cnnc23)c(Cl)c1 ZINC001245082277 986650459 /nfs/dbraw/zinc/65/04/59/986650459.db2.gz SIZUSQXAJQGKLX-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(N(C)C)ncc1-c1c([O-])cccc1F ZINC001245652543 987016927 /nfs/dbraw/zinc/01/69/27/987016927.db2.gz DMQIRQKXJJCKRM-UHFFFAOYSA-N -1 3 246.285 2.968 20 0 BFADHM Cc1cncc(-c2c([O-])cccc2F)c1 ZINC001245653062 987026840 /nfs/dbraw/zinc/02/68/40/987026840.db2.gz JBHFHZAGNQRPLH-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM CN(C)c1ccc(-c2c([O-])cccc2F)cn1 ZINC001245654391 987033996 /nfs/dbraw/zinc/03/39/96/987033996.db2.gz QSNUWRODMZDXCE-UHFFFAOYSA-N -1 3 232.258 2.659 20 0 BFADHM [O-]c1cccc(F)c1-c1ccc(F)nc1F ZINC001245654628 987034594 /nfs/dbraw/zinc/03/45/94/987034594.db2.gz FMKVAZBUPYTYMG-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM [O-]c1cccc(F)c1-c1cc(F)nc(F)c1 ZINC001245656889 987038771 /nfs/dbraw/zinc/03/87/71/987038771.db2.gz UQNRHDSNIPBIBJ-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM COCOc1ccc(-c2c([O-])cccc2F)cn1 ZINC001245655881 987040642 /nfs/dbraw/zinc/04/06/42/987040642.db2.gz QEMDSOQHQJDUSI-UHFFFAOYSA-N -1 3 249.241 2.576 20 0 BFADHM C[C@@H]1C[C@H](C)CN1Cc1ccc([O-])c(F)c1F ZINC001474318973 987687661 /nfs/dbraw/zinc/68/76/61/987687661.db2.gz XBNJHRLLTOZJAG-DTWKUNHWSA-N -1 3 241.281 2.901 20 0 BFADHM Cc1coc(C(=O)Nc2nc(C)ccc2[O-])c1C ZINC001322497267 988300212 /nfs/dbraw/zinc/30/02/12/988300212.db2.gz IBAQVLCNUDPULB-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CC(C)O[N-]C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001324625558 988896792 /nfs/dbraw/zinc/89/67/92/988896792.db2.gz WPIGNNVMZHESLI-HNNXBMFYSA-N -1 3 247.338 2.638 20 0 BFADHM Cc1nocc1[N-]C(=O)c1cc(Cl)cs1 ZINC001537837096 990517939 /nfs/dbraw/zinc/51/79/39/990517939.db2.gz PHARLVOGTGMNLH-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CC[C@@H](NC(=O)c1ccccc1[O-])[C@H]1CC1(C)C ZINC001570452600 992471156 /nfs/dbraw/zinc/47/11/56/992471156.db2.gz VWQWOPWBIUXOTL-VXGBXAGGSA-N -1 3 247.338 2.947 20 0 BFADHM C[C@@H]1[C@@H](C(=O)[N-]OC(C)(C)C)[C@H]1c1ccccc1 ZINC001321298098 992511129 /nfs/dbraw/zinc/51/11/29/992511129.db2.gz BJRZNNWJPZQJOZ-CYZMBNFOSA-N -1 3 247.338 2.882 20 0 BFADHM CC[C@H](F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC001262615263 992964791 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342828920 /nfs/dbraw/zinc/82/89/20/342828920.db2.gz XOFDUCMEFVUTGI-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CCSCC2)c1 ZINC000625082617 342848896 /nfs/dbraw/zinc/84/88/96/342848896.db2.gz MCZOENCLSDFTQM-UHFFFAOYSA-N -1 3 243.759 2.594 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1(C)CC=CC1 ZINC000628015074 342873376 /nfs/dbraw/zinc/87/33/76/342873376.db2.gz JWMHEBINEUHTGP-UHFFFAOYSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1ccc(C(=O)NCCCC2CC2)c([O-])c1 ZINC000134797004 342890405 /nfs/dbraw/zinc/89/04/05/342890405.db2.gz OFBMCUSJZKMSFG-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CCc1c(-c2ccccc2)[n-]n(C(C)C)c1=O ZINC000634594912 342956118 /nfs/dbraw/zinc/95/61/18/342956118.db2.gz KQBYZPFYOQJZTA-GFCCVEGCSA-N -1 3 230.311 2.668 20 0 BFADHM CCc1cc(C(=O)N(C)[C@H]2CC2(C)C)ccc1[O-] ZINC000487487076 529511121 /nfs/dbraw/zinc/51/11/21/529511121.db2.gz HSBAXEYRSULWRA-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cc(C(=O)N2CCCCCO2)ccc1[O-] ZINC000487298459 529512149 /nfs/dbraw/zinc/51/21/49/529512149.db2.gz RYGOJCGTLHLUFL-UHFFFAOYSA-N -1 3 249.310 2.512 20 0 BFADHM CCc1cc(C(=O)N[C@H]2CCC[C@H]2C)ccc1[O-] ZINC000486351056 529520419 /nfs/dbraw/zinc/52/04/19/529520419.db2.gz GPTMRRURFAWNCE-MFKMUULPSA-N -1 3 247.338 2.873 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042435339 342996785 /nfs/dbraw/zinc/99/67/85/342996785.db2.gz ILQZPMMWIFCCPR-MWLCHTKSSA-N -1 3 235.327 2.865 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042435350 342996849 /nfs/dbraw/zinc/99/68/49/342996849.db2.gz KPCBSVCFHIKQRQ-MNOVXSKESA-N -1 3 235.327 2.865 20 0 BFADHM Cc1[n-]n(C2CCCCCC2)c(=O)c1C1CC1 ZINC000634602756 342997605 /nfs/dbraw/zinc/99/76/05/342997605.db2.gz BPMIKHFRNUXBQY-ZDUSSCGKSA-N -1 3 234.343 2.954 20 0 BFADHM CCc1c(-c2cccc(C)c2)[n-]n(C2CC2)c1=O ZINC000634618050 343016102 /nfs/dbraw/zinc/01/61/02/343016102.db2.gz FFSKIFMTQHEKDM-ZDUSSCGKSA-N -1 3 242.322 2.730 20 0 BFADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C1CC1 ZINC000634629519 343032903 /nfs/dbraw/zinc/03/29/03/343032903.db2.gz WIQCHCJLWNLVJT-GFCCVEGCSA-N -1 3 234.343 2.811 20 0 BFADHM C[C@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(C)(C)C ZINC000634630418 343039198 /nfs/dbraw/zinc/03/91/98/343039198.db2.gz UUXGJCYMWADNDT-WCABBAIRSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000187737389 259345525 /nfs/dbraw/zinc/34/55/25/259345525.db2.gz FANVQHPVIBZFDW-UWVGGRQHSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C)(C)C1 ZINC000094805559 343153547 /nfs/dbraw/zinc/15/35/47/343153547.db2.gz XUDCIBGLVVHEMG-SECBINFHSA-N -1 3 237.299 2.771 20 0 BFADHM CC[C@H](C)CN(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361390 343256359 /nfs/dbraw/zinc/25/63/59/343256359.db2.gz LCUCILCXCCKRHB-VIFPVBQESA-N -1 3 239.315 2.764 20 0 BFADHM CC(C)[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000035239123 343291122 /nfs/dbraw/zinc/29/11/22/343291122.db2.gz IWSQUXFDUWXBQR-JTQLQIEISA-N -1 3 221.300 2.509 20 0 BFADHM Cc1oc(CN2CCCCCC2)cc1C(=O)[O-] ZINC000035432164 343297013 /nfs/dbraw/zinc/29/70/13/343297013.db2.gz SLPCVQBAHWKUIH-UHFFFAOYSA-N -1 3 237.299 2.662 20 0 BFADHM CC[C@]1(C)CCCN(c2ccncc2C(=O)[O-])C1 ZINC000584055856 343308247 /nfs/dbraw/zinc/30/82/47/343308247.db2.gz SRXATJJCKHBSDN-CQSZACIVSA-N -1 3 248.326 2.796 20 0 BFADHM CCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC000042240243 343432116 /nfs/dbraw/zinc/43/21/16/343432116.db2.gz VBXCWZDZOOZQDM-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM Cc1cccc(C(=O)N2CC(C)=C[C@H](C)C2)c1[O-] ZINC000335709078 136337033 /nfs/dbraw/zinc/33/70/33/136337033.db2.gz JERAPPDANGNUNG-JTQLQIEISA-N -1 3 245.322 2.739 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624590293 344033111 /nfs/dbraw/zinc/03/31/11/344033111.db2.gz VYWOPLMIYIUFMS-ONGXEEELSA-N -1 3 235.327 2.865 20 0 BFADHM CN(CC(C)(C)C)C(=O)c1cccc([O-])c1 ZINC000045089483 343523409 /nfs/dbraw/zinc/52/34/09/343523409.db2.gz NAWGFKFHLOAUTH-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM C[C@@H]1CN(Cc2cc([O-])ccc2Cl)[C@@H]1C ZINC000625447871 343772002 /nfs/dbraw/zinc/77/20/02/343772002.db2.gz AUDMBGLKNYRMNG-RKDXNWHRSA-N -1 3 225.719 2.886 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@H](F)C2)c1 ZINC000625458029 343860305 /nfs/dbraw/zinc/86/03/05/343860305.db2.gz RVOKOKLFUAULSI-VIFPVBQESA-N -1 3 229.682 2.589 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000625986824 344652314 /nfs/dbraw/zinc/65/23/14/344652314.db2.gz VIZDWMDBUSWWPU-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C)C2)c1 ZINC000075411919 344770901 /nfs/dbraw/zinc/77/09/01/344770901.db2.gz OQKVONAVPRLLFG-GHMZBOCLSA-N -1 3 247.338 2.683 20 0 BFADHM CC[C@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000136275340 345495107 /nfs/dbraw/zinc/49/51/07/345495107.db2.gz CHDUUICWUZLEQG-KOLCDFICSA-N -1 3 237.299 2.741 20 0 BFADHM Cc1cccc([C@H](C)SCCc2nnn[n-]2)c1 ZINC000603338477 349928920 /nfs/dbraw/zinc/92/89/20/349928920.db2.gz LDTHZZGLKGQDJQ-JTQLQIEISA-N -1 3 248.355 2.545 20 0 BFADHM Cc1cccc([C@H](C)SCCc2nn[n-]n2)c1 ZINC000603338477 349928925 /nfs/dbraw/zinc/92/89/25/349928925.db2.gz LDTHZZGLKGQDJQ-JTQLQIEISA-N -1 3 248.355 2.545 20 0 BFADHM CCCCN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000211454828 345737434 /nfs/dbraw/zinc/73/74/34/345737434.db2.gz FRXPPJKVKLZLSI-GFCCVEGCSA-N -1 3 239.290 2.683 20 0 BFADHM CCc1cccc(NC(=O)[N-]c2cnns2)c1 ZINC000192363508 346077612 /nfs/dbraw/zinc/07/76/12/346077612.db2.gz DCYBLFLIJJBGQG-UHFFFAOYSA-N -1 3 248.311 2.745 20 0 BFADHM Cc1cccc(C(=O)N(C)CCC2CC2)c1[O-] ZINC000156327698 179003804 /nfs/dbraw/zinc/00/38/04/179003804.db2.gz HPXVOOYJKSTTGU-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N(C(C)C)C2CC2)c1[O-] ZINC000298338696 179004439 /nfs/dbraw/zinc/00/44/39/179004439.db2.gz CBGIQVYSYZPORK-UHFFFAOYSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1cccc(C(=O)N2CCCC[C@@H]2C)c1[O-] ZINC000019837078 179007587 /nfs/dbraw/zinc/00/75/87/179007587.db2.gz UDKJWCUFFMCQQD-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@H](C)C2)c1[O-] ZINC000019837476 179009026 /nfs/dbraw/zinc/00/90/26/179009026.db2.gz OMZJIKUCEQXAMQ-JTQLQIEISA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1[O-] ZINC000336147350 179011200 /nfs/dbraw/zinc/01/12/00/179011200.db2.gz ZIKZMFHWKFCEHA-WCQYABFASA-N -1 3 245.322 2.715 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000070115743 349966594 /nfs/dbraw/zinc/96/65/94/349966594.db2.gz ATDWYACVYJBDMZ-NQBHXWOUSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1nc([N-]C(=O)c2conc2C2CC2)cs1 ZINC000577150977 365838447 /nfs/dbraw/zinc/83/84/47/365838447.db2.gz OGDDSBNRNUQXRJ-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CCC1CC1 ZINC000272583053 179160316 /nfs/dbraw/zinc/16/03/16/179160316.db2.gz WNADWWYGWYKBIL-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CC1CCC1 ZINC000272395413 179161191 /nfs/dbraw/zinc/16/11/91/179161191.db2.gz DFAZPYHBNMHGTG-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM Cc1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000074581429 179258284 /nfs/dbraw/zinc/25/82/84/179258284.db2.gz RPFAYFLKKJUHJD-UHFFFAOYSA-N -1 3 233.311 2.528 20 0 BFADHM CSc1ccsc1C(=O)[N-]c1cnoc1 ZINC000593050549 347853131 /nfs/dbraw/zinc/85/31/31/347853131.db2.gz YJZYSXHTVDGEAS-UHFFFAOYSA-N -1 3 240.309 2.710 20 0 BFADHM Cc1ccc(CN(C)C(=O)c2ccccc2[O-])o1 ZINC000035122537 358454577 /nfs/dbraw/zinc/45/45/77/358454577.db2.gz QPJWPEDCPNPUAA-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1ccc(NC(=O)CSC(C)C)c([O-])c1 ZINC000603514311 349985611 /nfs/dbraw/zinc/98/56/11/349985611.db2.gz APGOVUBRXGNKMF-UHFFFAOYSA-N -1 3 239.340 2.781 20 0 BFADHM CCOC(=O)c1cc(-c2sccc2C)[n-]n1 ZINC000596646854 348604309 /nfs/dbraw/zinc/60/43/09/348604309.db2.gz ZMPGMVKULLUNQG-UHFFFAOYSA-N -1 3 236.296 2.623 20 0 BFADHM CCOC(=O)c1cc(-c2sccc2C)n[n-]1 ZINC000596646854 348604312 /nfs/dbraw/zinc/60/43/12/348604312.db2.gz ZMPGMVKULLUNQG-UHFFFAOYSA-N -1 3 236.296 2.623 20 0 BFADHM C[C@H]1CCCCCN1Cc1cc(C(=O)[O-])co1 ZINC000070410261 350001571 /nfs/dbraw/zinc/00/15/71/350001571.db2.gz JJKWVDULTODEBG-JTQLQIEISA-N -1 3 237.299 2.742 20 0 BFADHM Cc1nc2ccc(NC([O-])=NOC(C)C)cc2o1 ZINC000296518979 180095017 /nfs/dbraw/zinc/09/50/17/180095017.db2.gz ZMXOHQLLFVCBFP-UHFFFAOYSA-N -1 3 249.270 2.598 20 0 BFADHM Cc1nc2ccc(NC(=O)[N-]OC(C)C)cc2o1 ZINC000296518979 180095019 /nfs/dbraw/zinc/09/50/19/180095019.db2.gz ZMXOHQLLFVCBFP-UHFFFAOYSA-N -1 3 249.270 2.598 20 0 BFADHM [O-]c1ccccc1-c1cnc(C2CC2)o1 ZINC000222882977 350254655 /nfs/dbraw/zinc/25/46/55/350254655.db2.gz BONHDKZNYKIYBM-UHFFFAOYSA-N -1 3 201.225 2.925 20 0 BFADHM CCCCCCC(=O)[N-]OC/C=C/Cl ZINC000291842696 168645929 /nfs/dbraw/zinc/64/59/29/168645929.db2.gz NPEQAGHFUWPFRU-SOFGYWHQSA-N -1 3 219.712 2.757 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]1C(C)C ZINC000626369113 351011110 /nfs/dbraw/zinc/01/11/10/351011110.db2.gz OZPUWTKXUXVOBN-NSHDSACASA-N -1 3 233.311 2.571 20 0 BFADHM CC1(C)CCC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291758948 352288085 /nfs/dbraw/zinc/28/80/85/352288085.db2.gz HQRPKSVBLVRMDH-IYNCYZAOSA-N -1 3 231.723 2.613 20 0 BFADHM CN(C(=O)c1ccccc1[O-])C1(C)CCCC1 ZINC000334205049 352799448 /nfs/dbraw/zinc/79/94/48/352799448.db2.gz XFGVWTBBYWVTDX-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM C[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000334293632 352930553 /nfs/dbraw/zinc/93/05/53/352930553.db2.gz QSTVRKRFVXUTAE-BDAKNGLRSA-N -1 3 237.274 2.906 20 0 BFADHM CC(=O)[N-]OCc1ccc(C(C)(C)C)cc1 ZINC000119920722 188154236 /nfs/dbraw/zinc/15/42/36/188154236.db2.gz ULXSFDDFQLPRIH-UHFFFAOYSA-N -1 3 221.300 2.552 20 0 BFADHM C[C@H](CC(F)F)C(=O)Nc1ccc([O-])cc1F ZINC000412246961 191271634 /nfs/dbraw/zinc/27/16/34/191271634.db2.gz JEDMRPMYXGPQMX-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM CC(C)([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000278543420 188203444 /nfs/dbraw/zinc/20/34/44/188203444.db2.gz CVRVXJBUKHELLG-UHFFFAOYSA-N -1 3 247.672 2.956 20 0 BFADHM CC1=C(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000336629081 188232225 /nfs/dbraw/zinc/23/22/25/188232225.db2.gz HZSLOKIUTZVGLY-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM CCC[C@H](C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000135430401 538115370 /nfs/dbraw/zinc/11/53/70/538115370.db2.gz BUUOBJPGLQTBKP-VIFPVBQESA-N -1 3 237.299 2.776 20 0 BFADHM CCC(C)(C)CNC(=O)c1ccc([O-])c(C)c1 ZINC000232844601 353770145 /nfs/dbraw/zinc/77/01/45/353770145.db2.gz YQYGXYXKXSNXKW-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CC1(c2noc(Cc3ccc([O-])c(F)c3)n2)CC1 ZINC000334521242 353886127 /nfs/dbraw/zinc/88/61/27/353886127.db2.gz SUBJKALTJOXTTL-UHFFFAOYSA-N -1 3 248.257 2.557 20 0 BFADHM C[C@@H]1C[C@@H]1c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000334534680 353914690 /nfs/dbraw/zinc/91/46/90/353914690.db2.gz VJUBEEANJJKQLU-APPZFPTMSA-N -1 3 248.257 2.629 20 0 BFADHM Cc1cscc1C(=O)Nc1nc(C)ccc1[O-] ZINC000334586200 354210794 /nfs/dbraw/zinc/21/07/94/354210794.db2.gz SODWLWGWBRHZJC-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H]2C2CC2)c([O-])c1 ZINC000334687658 354434410 /nfs/dbraw/zinc/43/44/10/354434410.db2.gz CSEGMFUERZIYAV-ZDUSSCGKSA-N -1 3 245.322 2.579 20 0 BFADHM CC(C)[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000179152102 366211936 /nfs/dbraw/zinc/21/19/36/366211936.db2.gz KCHGUXXLVZTYKA-QMMMGPOBSA-N -1 3 225.263 2.762 20 0 BFADHM CCc1cc(C(=O)N2CC[C@@H]2C2CC2)ccc1[O-] ZINC000334691175 354479573 /nfs/dbraw/zinc/47/95/73/354479573.db2.gz YMHIAXOQPWCYLL-CYBMUJFWSA-N -1 3 245.322 2.579 20 0 BFADHM CC(C)(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC000335092286 354628994 /nfs/dbraw/zinc/62/89/94/354628994.db2.gz FNSIGOVEOFPFKS-UHFFFAOYSA-N -1 3 233.311 2.510 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H](C)C2)n1 ZINC000345990323 354833432 /nfs/dbraw/zinc/83/34/32/354833432.db2.gz PLUDJZZJGRIGRK-MWLCHTKSSA-N -1 3 248.326 2.860 20 0 BFADHM O=c1cc(CSC2CCC2)nc(C2CC2)[n-]1 ZINC000412998576 191333808 /nfs/dbraw/zinc/33/38/08/191333808.db2.gz CYRHANZJRRMCGT-UHFFFAOYSA-N -1 3 236.340 2.845 20 0 BFADHM CCn1c(SCCCC(C)(C)C)n[n-]c1=O ZINC000347626860 355239899 /nfs/dbraw/zinc/23/98/99/355239899.db2.gz FBLYUOULUFMPCS-UHFFFAOYSA-N -1 3 243.376 2.922 20 0 BFADHM CC(C)[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC000323914741 355388708 /nfs/dbraw/zinc/38/87/08/355388708.db2.gz GVPRXIZTIKBYTQ-CYBMUJFWSA-N -1 3 233.311 2.557 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C[C@H]1C ZINC000336099325 134081265 /nfs/dbraw/zinc/08/12/65/134081265.db2.gz JYEIAMZNUGFOQY-ZJUUUORDSA-N -1 3 219.284 2.685 20 0 BFADHM CC[C@H](C)CCNC(=O)c1ccc([O-])c(C)c1 ZINC000617639294 356245216 /nfs/dbraw/zinc/24/52/16/356245216.db2.gz BTHHCKUCFYRDOA-JTQLQIEISA-N -1 3 235.327 2.867 20 0 BFADHM CC1(C)C[C@@H]1CNCc1c(F)ccc([O-])c1F ZINC000352492345 356368266 /nfs/dbraw/zinc/36/82/66/356368266.db2.gz XDCRDAISYBDWRH-MRVPVSSYSA-N -1 3 241.281 2.806 20 0 BFADHM Cc1cc(C(=O)N2CC(C)=C[C@@H](C)C2)ccc1[O-] ZINC000336165522 134112900 /nfs/dbraw/zinc/11/29/00/134112900.db2.gz BLRBOKUYWVAJPI-SNVBAGLBSA-N -1 3 245.322 2.739 20 0 BFADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cn1 ZINC000179554524 366269485 /nfs/dbraw/zinc/26/94/85/366269485.db2.gz XUDMOQUGJCWPCW-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ncsc1C(=O)Nc1c(C)cccc1[O-] ZINC000179562379 366271122 /nfs/dbraw/zinc/27/11/22/366271122.db2.gz ZWAVCWCRYWNIGK-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM O=C(CCC1CC1)Nc1cccc([O-])c1F ZINC000129568878 324960637 /nfs/dbraw/zinc/96/06/37/324960637.db2.gz KKVXFIQZTAWUDJ-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM [O-]c1ccc(-c2noc(Cc3ccoc3)n2)cc1 ZINC000350566607 366299836 /nfs/dbraw/zinc/29/98/36/366299836.db2.gz KPPJGKIMLRLZME-UHFFFAOYSA-N -1 3 242.234 2.626 20 0 BFADHM Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000350584825 366302795 /nfs/dbraw/zinc/30/27/95/366302795.db2.gz PEUDHORICMNJLT-UHFFFAOYSA-N -1 3 226.235 2.904 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@@H](C)C2)sc1C ZINC000450470024 202176045 /nfs/dbraw/zinc/17/60/45/202176045.db2.gz SKFJSQYVNJMAOZ-GMSGAONNSA-N -1 3 238.356 2.677 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000623363969 356815441 /nfs/dbraw/zinc/81/54/41/356815441.db2.gz NJVVLCQQTRVAHK-GHMZBOCLSA-N -1 3 247.338 2.819 20 0 BFADHM [O-]c1cccnc1CSc1ccccc1O ZINC000584388915 357497959 /nfs/dbraw/zinc/49/79/59/357497959.db2.gz IKHWBPHZNJPYER-UHFFFAOYSA-N -1 3 233.292 2.785 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1C ZINC000011962757 357463542 /nfs/dbraw/zinc/46/35/42/357463542.db2.gz FOCZSSBYJIGNGT-VIFPVBQESA-N -1 3 237.299 2.661 20 0 BFADHM CC[C@@H](C)c1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000628432543 357902306 /nfs/dbraw/zinc/90/23/06/357902306.db2.gz HUHGOUHSQHZVIT-SECBINFHSA-N -1 3 244.298 2.571 20 0 BFADHM CCCN(C(=O)c1cccc(C)c1[O-])C(C)C ZINC000037096474 358065242 /nfs/dbraw/zinc/06/52/42/358065242.db2.gz FXMSTHBFUIPOHP-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM CCn1c(=O)[n-]nc1SCC1=CCCCC1 ZINC000450702314 202240198 /nfs/dbraw/zinc/24/01/98/202240198.db2.gz IMXOHWLMDMUXQV-UHFFFAOYSA-N -1 3 239.344 2.596 20 0 BFADHM CC1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000124257796 358514528 /nfs/dbraw/zinc/51/45/28/358514528.db2.gz YCNZUEIWHCAODV-MRVPVSSYSA-N -1 3 223.247 2.516 20 0 BFADHM CC(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000134967639 358812765 /nfs/dbraw/zinc/81/27/65/358812765.db2.gz LRLGEXYTYPRVSA-LLVKDONJSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)[C@H](C)C1 ZINC000070115751 359041921 /nfs/dbraw/zinc/04/19/21/359041921.db2.gz IIANKBOXVYIRCY-JTNHKYCSSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC12CCCC2 ZINC000626661734 359013117 /nfs/dbraw/zinc/01/31/17/359013117.db2.gz JMDDQADYZQTVEC-GFCCVEGCSA-N -1 3 245.322 2.763 20 0 BFADHM CC[C@H]1CCCN([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000247701190 359241945 /nfs/dbraw/zinc/24/19/45/359241945.db2.gz UROIQQBCPBPILB-NEPJUHHUSA-N -1 3 249.358 2.674 20 0 BFADHM C[C@H](C1CC1)N(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000572889202 359352409 /nfs/dbraw/zinc/35/24/09/359352409.db2.gz CYDFWMKGGLCCSI-SECBINFHSA-N -1 3 249.310 2.741 20 0 BFADHM COc1ccc(NC(=O)C2CC3(CC3)C2)c([O-])c1 ZINC000613832983 363657209 /nfs/dbraw/zinc/65/72/09/363657209.db2.gz QPPUXJDUYZEQGS-UHFFFAOYSA-N -1 3 247.294 2.530 20 0 BFADHM CCN(CC1CCC1)C(=O)c1c(C)cccc1[O-] ZINC000626786950 359683147 /nfs/dbraw/zinc/68/31/47/359683147.db2.gz GAZNVQZHDODJMW-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ncccc1[O-] ZINC000450802978 202270856 /nfs/dbraw/zinc/27/08/56/202270856.db2.gz VZPOPGMBVFIBBF-ZANVPECISA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)c([O-])c1 ZINC000088055500 359932953 /nfs/dbraw/zinc/93/29/53/359932953.db2.gz ZODIXEHXPAVYHB-WCBMZHEXSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1cccc(-c2nc([C@@H]3C[C@H]3C)no2)c1[O-] ZINC000088055510 359933055 /nfs/dbraw/zinc/93/30/55/359933055.db2.gz JPNXHQXPTWHMHM-PSASIEDQSA-N -1 3 230.267 2.874 20 0 BFADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccco1 ZINC000088724061 359973254 /nfs/dbraw/zinc/97/32/54/359973254.db2.gz MQMLUDBELFAXFI-UHFFFAOYSA-N -1 3 241.168 2.949 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@@H](C)C2CC2)c1 ZINC000623481382 360445631 /nfs/dbraw/zinc/44/56/31/360445631.db2.gz WPMIAEVITFTQIE-SNVBAGLBSA-N -1 3 247.338 2.731 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C2CC2)C2CC2)c1 ZINC000628815620 360668318 /nfs/dbraw/zinc/66/83/18/360668318.db2.gz RFMUAULWRJFCKC-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM C[C@]1(CNC(=O)c2ccccc2[O-])C[C@H]2C[C@H]2C1 ZINC000629053451 360849146 /nfs/dbraw/zinc/84/91/46/360849146.db2.gz OARWSBXIHYKJGL-HBYGRHMLSA-N -1 3 245.322 2.558 20 0 BFADHM CC(C)=CCN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000629373056 361023648 /nfs/dbraw/zinc/02/36/48/361023648.db2.gz JGMGFNPGPHFZCC-RWMBFGLXSA-N -1 3 237.343 2.528 20 0 BFADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCC[C@H]21 ZINC000629373382 361023688 /nfs/dbraw/zinc/02/36/88/361023688.db2.gz INLKKHRVMBTBJP-RQJABVFESA-N -1 3 249.354 2.670 20 0 BFADHM CC1(C)CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000309748418 491155936 /nfs/dbraw/zinc/15/59/36/491155936.db2.gz YMSYCQIETZQTND-UHFFFAOYSA-N -1 3 239.702 2.528 20 0 BFADHM O=C(c1ccccc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000170190447 361407354 /nfs/dbraw/zinc/40/73/54/361407354.db2.gz ITTCCZUZSMGXTB-VXGBXAGGSA-N -1 3 245.322 2.654 20 0 BFADHM CC(C)OC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000448548635 201210565 /nfs/dbraw/zinc/21/05/65/201210565.db2.gz VBEGXCOMZYLDPL-UHFFFAOYSA-N -1 3 237.299 2.534 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1ccc(C)cc1[O-] ZINC000037113685 361677377 /nfs/dbraw/zinc/67/73/77/361677377.db2.gz XUAQSATUSLOZBC-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC000037113705 361677563 /nfs/dbraw/zinc/67/75/63/361677563.db2.gz NDNFJYCYSLDWCV-SNVBAGLBSA-N -1 3 221.300 2.653 20 0 BFADHM CCc1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1 ZINC000436600692 201331216 /nfs/dbraw/zinc/33/12/16/201331216.db2.gz ATGSHQCNDRILFU-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H]2C)c([O-])c1C ZINC000436708372 201333736 /nfs/dbraw/zinc/33/37/36/201333736.db2.gz JODMQKKTVQYSFX-BXKDBHETSA-N -1 3 233.311 2.537 20 0 BFADHM CCc1cc(C(=O)N(C)[C@@H](C)CC)ccc1[O-] ZINC000436692793 201334629 /nfs/dbraw/zinc/33/46/29/201334629.db2.gz ZYJYETVSMSNXJJ-JTQLQIEISA-N -1 3 235.327 2.825 20 0 BFADHM Cc1ccc(C(=O)Nc2cccnc2)c([O-])c1C ZINC000436755098 201335628 /nfs/dbraw/zinc/33/56/28/201335628.db2.gz LOSWXEUUIHRACD-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@@H]2C(C)C)c([O-])c1 ZINC000436836823 201337934 /nfs/dbraw/zinc/33/79/34/201337934.db2.gz FISDISTVRJYRBB-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)N(CC)C2CC2)c([O-])c1 ZINC000436808456 201338496 /nfs/dbraw/zinc/33/84/96/201338496.db2.gz LFHGGILQAZPLCP-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@H]2CC)c([O-])c1 ZINC000436818601 201338951 /nfs/dbraw/zinc/33/89/51/201338951.db2.gz GHDRXOJXQVNORQ-GFCCVEGCSA-N -1 3 247.338 2.969 20 0 BFADHM CC(C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436980563 201340819 /nfs/dbraw/zinc/34/08/19/201340819.db2.gz OAVVYPSRMYSMAY-UHFFFAOYSA-N -1 3 232.638 2.750 20 0 BFADHM CC[C@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436945444 201341647 /nfs/dbraw/zinc/34/16/47/201341647.db2.gz GGOQZDPGBOGICH-JTQLQIEISA-N -1 3 247.338 2.799 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CCC[C@@H]2C)sc1C ZINC000450312384 201376264 /nfs/dbraw/zinc/37/62/64/201376264.db2.gz LNPPDXSNOYPSMV-XVKPBYJWSA-N -1 3 238.356 2.677 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CCC[C@H]2C)sc1C ZINC000450312383 201377263 /nfs/dbraw/zinc/37/72/63/201377263.db2.gz LNPPDXSNOYPSMV-XCBNKYQSSA-N -1 3 238.356 2.677 20 0 BFADHM CC[C@H](C)Cc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000630385114 364098556 /nfs/dbraw/zinc/09/85/56/364098556.db2.gz LYRCGPVHINMUAI-QMMMGPOBSA-N -1 3 232.283 2.630 20 0 BFADHM CC[C@](C)(NC(=O)c1cccc([O-])c1)C1CC1 ZINC000618958366 364220574 /nfs/dbraw/zinc/22/05/74/364220574.db2.gz RQRQGTYVZRUJBA-AWEZNQCLSA-N -1 3 233.311 2.701 20 0 BFADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000272745673 364752310 /nfs/dbraw/zinc/75/23/10/364752310.db2.gz MZMFWZVINKHVNW-ZWNOBZJWSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1cc([C@H](C)N2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000573808196 364921220 /nfs/dbraw/zinc/92/12/20/364921220.db2.gz HZJRARRMCFHGRG-UWVGGRQHSA-N -1 3 237.299 2.832 20 0 BFADHM Cc1cc([C@H](C)N2CCC[C@H]2C)oc1C(=O)[O-] ZINC000573808198 364921674 /nfs/dbraw/zinc/92/16/74/364921674.db2.gz HZJRARRMCFHGRG-ZJUUUORDSA-N -1 3 237.299 2.832 20 0 BFADHM C[C@H]1CC2(CCC2)CN1Cc1cc(C(=O)[O-])co1 ZINC000574163936 364999411 /nfs/dbraw/zinc/99/94/11/364999411.db2.gz FOATXXYDFAWPLV-JTQLQIEISA-N -1 3 249.310 2.742 20 0 BFADHM Cc1cc(C)cc(NC(=O)[N-]c2cnns2)c1 ZINC000192364403 365330395 /nfs/dbraw/zinc/33/03/95/365330395.db2.gz XKVDXWBAUCKQGJ-UHFFFAOYSA-N -1 3 248.311 2.799 20 0 BFADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000185783258 367143466 /nfs/dbraw/zinc/14/34/66/367143466.db2.gz WPQMWAQIEQKMHJ-IUCAKERBSA-N -1 3 237.274 2.762 20 0 BFADHM CCc1cc(C(=O)N(C)[C@@H](C)C2CC2)ccc1[O-] ZINC000581583469 367608490 /nfs/dbraw/zinc/60/84/90/367608490.db2.gz UKONHYVYYLJGPL-JTQLQIEISA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC23CCCC3)c([O-])c1 ZINC000387365073 368159928 /nfs/dbraw/zinc/15/99/28/368159928.db2.gz WTNRFNJCQDIQRV-ZDUSSCGKSA-N -1 3 245.322 2.763 20 0 BFADHM CCN(CC)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065616935 368625155 /nfs/dbraw/zinc/62/51/55/368625155.db2.gz RALCKMBNVMVSAQ-UHFFFAOYSA-N -1 3 247.338 2.753 20 0 BFADHM C[C@@H]1CCCCN1Cc1ccsc1C(=O)[O-] ZINC000082501593 368690154 /nfs/dbraw/zinc/69/01/54/368690154.db2.gz YCOOXNFUIRSZFV-SECBINFHSA-N -1 3 239.340 2.821 20 0 BFADHM C[C@H](NCc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000086297481 368879010 /nfs/dbraw/zinc/87/90/10/368879010.db2.gz IYXWAVFFZBMDJU-IUCAKERBSA-N -1 3 241.718 2.539 20 0 BFADHM CCC[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000623685108 369403499 /nfs/dbraw/zinc/40/34/99/369403499.db2.gz FBWOECHEJROZAD-SNVBAGLBSA-N -1 3 221.300 2.619 20 0 BFADHM CCc1cc(C(=O)N[C@@]2(C)CC2(C)C)ccc1[O-] ZINC000620075921 369710955 /nfs/dbraw/zinc/71/09/55/369710955.db2.gz GDDUTZQLJOFNTM-HNNXBMFYSA-N -1 3 247.338 2.873 20 0 BFADHM Cc1cc(C(=O)N[C@]2(C)CC2(C)C)ccc1[O-] ZINC000620077069 369713368 /nfs/dbraw/zinc/71/33/68/369713368.db2.gz BZARBUOIPMLPOP-CQSZACIVSA-N -1 3 233.311 2.619 20 0 BFADHM CC(NC(=O)c1cccc([O-])c1)(C1CC1)C1CC1 ZINC000620030755 369675648 /nfs/dbraw/zinc/67/56/48/369675648.db2.gz WRDROIYEYJIFRZ-UHFFFAOYSA-N -1 3 245.322 2.701 20 0 BFADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC000620434208 369875563 /nfs/dbraw/zinc/87/55/63/369875563.db2.gz OFXXUPZIIIHQIB-YOGCLGLASA-N -1 3 245.322 2.795 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)C(C)C ZINC000623817829 371107915 /nfs/dbraw/zinc/10/79/15/371107915.db2.gz MMPPEZMSPCBVDN-NSHDSACASA-N -1 3 235.327 2.817 20 0 BFADHM Cc1c2ccccc2oc1C(=O)[N-]c1cnoc1 ZINC000623943196 371170084 /nfs/dbraw/zinc/17/00/84/371170084.db2.gz JSJACSLDGPVWSN-UHFFFAOYSA-N -1 3 242.234 2.982 20 0 BFADHM CN(Cc1ccsc1)C(=O)c1ccccc1[O-] ZINC000028020909 371561766 /nfs/dbraw/zinc/56/17/66/371561766.db2.gz DHJBCVGVHYXEBZ-UHFFFAOYSA-N -1 3 247.319 2.726 20 0 BFADHM O=C(C[C@H]1C=CCC1)[N-]OCc1ccc(F)cc1 ZINC000184219183 182025315 /nfs/dbraw/zinc/02/53/15/182025315.db2.gz WYZJYUSBORHNRO-NSHDSACASA-N -1 3 249.285 2.730 20 0 BFADHM O=C(NCCCCF)c1cc([O-])ccc1Cl ZINC000336651716 182164147 /nfs/dbraw/zinc/16/41/47/182164147.db2.gz IAIVGKKOUPHUAO-UHFFFAOYSA-N -1 3 245.681 2.525 20 0 BFADHM Cc1c2occ([O-])c2ccc1OC[C@H]1C[C@@H]1C ZINC000634559729 374318310 /nfs/dbraw/zinc/31/83/10/374318310.db2.gz DQNPUBRFGRCGGG-WCBMZHEXSA-N -1 3 232.279 2.605 20 0 BFADHM Cc1c2occ([O-])c2ccc1OC[C@@H]1C[C@H]1C ZINC000634559728 374318444 /nfs/dbraw/zinc/31/84/44/374318444.db2.gz DQNPUBRFGRCGGG-SCZZXKLOSA-N -1 3 232.279 2.605 20 0 BFADHM CN(Cc1cc([O-])cc(F)c1)[C@@H]1CC1(C)C ZINC000426558492 206051745 /nfs/dbraw/zinc/05/17/45/206051745.db2.gz HDSQBWMWGOYBSO-GFCCVEGCSA-N -1 3 223.291 2.762 20 0 BFADHM O=C([N-][C@H]1CCCc2ccc(F)cc21)C(F)F ZINC000279880447 182333841 /nfs/dbraw/zinc/33/38/41/182333841.db2.gz XGKIWWHYENWQNB-JTQLQIEISA-N -1 3 243.228 2.584 20 0 BFADHM O=C([N-][C@H]1CCc2c1cccc2Cl)C(F)F ZINC000194390606 182341512 /nfs/dbraw/zinc/34/15/12/182341512.db2.gz UIXLFNWYIPGJPD-VIFPVBQESA-N -1 3 245.656 2.709 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])c1cc[nH]c1 ZINC000111577712 182348507 /nfs/dbraw/zinc/34/85/07/182348507.db2.gz MNBFRXZSULDWTJ-UHFFFAOYSA-N -1 3 236.658 2.626 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000178325874 182349612 /nfs/dbraw/zinc/34/96/12/182349612.db2.gz RQNPWIPGSFVEQV-USUYBEQLSA-N -1 3 235.258 2.516 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C(C1CC1)C1CC1 ZINC000157248756 182350009 /nfs/dbraw/zinc/35/00/09/182350009.db2.gz RAJPLFZDMCZTKL-UHFFFAOYSA-N -1 3 249.285 2.906 20 0 BFADHM O=C(Nc1ccccc1[O-])c1c(F)cccc1F ZINC000078579184 182380746 /nfs/dbraw/zinc/38/07/46/182380746.db2.gz QKCBDBKVWRSQKM-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM O=C(Nc1ncccc1[O-])C1=CCCCCC1 ZINC000132081643 182399874 /nfs/dbraw/zinc/39/98/74/182399874.db2.gz KITMDSBEDJFPIS-UHFFFAOYSA-N -1 3 232.283 2.616 20 0 BFADHM [O-]c1ccc(-c2noc(-c3ccco3)n2)cc1 ZINC000034956101 183266324 /nfs/dbraw/zinc/26/63/24/183266324.db2.gz WOOIVUFIAAVTSW-UHFFFAOYSA-N -1 3 228.207 2.702 20 0 BFADHM [O-]c1ccc(F)c(CNCC2CCC2)c1F ZINC000294151093 183272846 /nfs/dbraw/zinc/27/28/46/183272846.db2.gz HZHRFFVFADFEFM-UHFFFAOYSA-N -1 3 227.254 2.560 20 0 BFADHM [O-]c1ccc(F)c(CNC2CC(F)(F)C2)c1F ZINC000294660907 183273214 /nfs/dbraw/zinc/27/32/14/183273214.db2.gz LMSUHFOEXOBFMV-UHFFFAOYSA-N -1 3 249.207 2.558 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC[C@@H]2CF)c1F ZINC000293896119 183274081 /nfs/dbraw/zinc/27/40/81/183274081.db2.gz FCGQBHZFVYWFLH-MRVPVSSYSA-N -1 3 245.244 2.604 20 0 BFADHM [O-]c1cc(F)cc(CN2CCC23CCC3)c1 ZINC000336462898 183258599 /nfs/dbraw/zinc/25/85/99/183258599.db2.gz ZKXHXMJZFGWYGV-UHFFFAOYSA-N -1 3 221.275 2.660 20 0 BFADHM [O-]c1cc(F)cc(CN[C@H]2CCC[C@H]2F)c1 ZINC000336433735 183259959 /nfs/dbraw/zinc/25/99/59/183259959.db2.gz RXNCYNRCVVLUBS-NEPJUHHUSA-N -1 3 227.254 2.512 20 0 BFADHM [O-]c1cc(-c2cccc(O)c2)ccc1F ZINC000065340700 183285732 /nfs/dbraw/zinc/28/57/32/183285732.db2.gz GVSPFWMQUKBUDL-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM c1ccc(-c2nc(SC3CCCC3)n[n-]2)nc1 ZINC000117114917 183382346 /nfs/dbraw/zinc/38/23/46/183382346.db2.gz ZFDDXOZBQVKCJC-UHFFFAOYSA-N -1 3 246.339 2.901 20 0 BFADHM CCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276649946 169250604 /nfs/dbraw/zinc/25/06/04/169250604.db2.gz RUVQXSKMWSZNOO-UHFFFAOYSA-N -1 3 247.216 2.551 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000035239232 169364263 /nfs/dbraw/zinc/36/42/63/169364263.db2.gz VNQZQVIUSPCLKN-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CCO[N-]C(=O)CCCCCc1cccs1 ZINC000067134584 383908989 /nfs/dbraw/zinc/90/89/89/383908989.db2.gz DTSUCVSTEZDOTJ-UHFFFAOYSA-N -1 3 241.356 2.919 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c([O-])c1 ZINC000088707522 383918514 /nfs/dbraw/zinc/91/85/14/383918514.db2.gz LYDCPCWKLUXOEV-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM CSC[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000066927247 383902037 /nfs/dbraw/zinc/90/20/37/383902037.db2.gz PMMYBFWERIGRLS-VIFPVBQESA-N -1 3 239.340 2.638 20 0 BFADHM Cc1cc(C(=O)N2[C@H](C)CC[C@H]2C)ccc1[O-] ZINC000336505842 384028270 /nfs/dbraw/zinc/02/82/70/384028270.db2.gz ZCJJNBFCXAVMDI-GHMZBOCLSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1ccc([O-])c(CN2Cc3ccccc3C2)n1 ZINC000133776552 384309401 /nfs/dbraw/zinc/30/94/01/384309401.db2.gz YNMWAPDDQKWVNL-UHFFFAOYSA-N -1 3 240.306 2.611 20 0 BFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1cscn1 ZINC000156681403 384386164 /nfs/dbraw/zinc/38/61/64/384386164.db2.gz SXKBTIKOCIXVIA-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CCO[N-]C(=O)/C=C\c1cc2ccccc2o1 ZINC000255215171 384450626 /nfs/dbraw/zinc/45/06/26/384450626.db2.gz KJVICFAQYKHJHE-FPLPWBNLSA-N -1 3 231.251 2.514 20 0 BFADHM CCC(CC)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556893553 384618001 /nfs/dbraw/zinc/61/80/01/384618001.db2.gz WGNXQXDIVWUWCP-UHFFFAOYSA-N -1 3 249.310 2.970 20 0 BFADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000518017534 384621905 /nfs/dbraw/zinc/62/19/05/384621905.db2.gz OJIOUQXPJLSKTN-GHMZBOCLSA-N -1 3 248.326 2.942 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)CC2(C)C)c1 ZINC000271455412 384601282 /nfs/dbraw/zinc/60/12/82/384601282.db2.gz XXZMBFQOQKLJOK-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(CNc2ccncc2C(=O)[O-])s1 ZINC000126136499 384645457 /nfs/dbraw/zinc/64/54/57/384645457.db2.gz ANDPTKVTTAAFDR-UHFFFAOYSA-N -1 3 248.307 2.762 20 0 BFADHM C/C(=C\C(C)(C)C)C(=O)[N-]OCc1cccnc1 ZINC000185783358 384771959 /nfs/dbraw/zinc/77/19/59/384771959.db2.gz AGLORSKXURLHRQ-DHZHZOJOSA-N -1 3 248.326 2.622 20 0 BFADHM CC(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174380049 384784354 /nfs/dbraw/zinc/78/43/54/384784354.db2.gz HSOZQCNNAAKYCD-UHFFFAOYSA-N -1 3 247.338 2.900 20 0 BFADHM C/C(=C\C(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000186821979 384887002 /nfs/dbraw/zinc/88/70/02/384887002.db2.gz CWLWYUAAKOREBI-CMDGGOBGSA-N -1 3 234.299 2.718 20 0 BFADHM CC[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174870306 384845784 /nfs/dbraw/zinc/84/57/84/384845784.db2.gz FRPVEEKCIQOQFZ-SSDOTTSWSA-N -1 3 211.236 2.516 20 0 BFADHM CCC[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174903114 384846662 /nfs/dbraw/zinc/84/66/62/384846662.db2.gz ICROCIKXTPEDFP-QMMMGPOBSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@H]1CC(NC(=O)c2ccccc2[O-])C[C@H](C)C1 ZINC000084438242 384865116 /nfs/dbraw/zinc/86/51/16/384865116.db2.gz GQKFFPVVVOFPSV-GHMZBOCLSA-N -1 3 247.338 2.947 20 0 BFADHM CS[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000557181775 384868240 /nfs/dbraw/zinc/86/82/40/384868240.db2.gz XWQVRKQTNLMNFQ-LURJTMIESA-N -1 3 245.731 2.736 20 0 BFADHM C[C@H](F)CCN=c1[n-]c(C(F)(F)F)cs1 ZINC000338748375 384940700 /nfs/dbraw/zinc/94/07/00/384940700.db2.gz GHYKZEDGYCUGRL-YFKPBYRVSA-N -1 3 242.241 2.744 20 0 BFADHM CCc1ccc(C(=O)N2CCCCC2)c([O-])c1 ZINC000188381029 385045886 /nfs/dbraw/zinc/04/58/86/385045886.db2.gz LFJBCPODWJAXJX-UHFFFAOYSA-N -1 3 233.311 2.581 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccccc1[O-] ZINC000336321487 385184117 /nfs/dbraw/zinc/18/41/17/385184117.db2.gz BTLJOHTUIPMPJX-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCCC1(C)C ZINC000063067604 385208721 /nfs/dbraw/zinc/20/87/21/385208721.db2.gz QATUSVFWBQBBQA-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CC[C@](C)(OC)c1noc(-c2ccccc2[O-])n1 ZINC000227832898 385250314 /nfs/dbraw/zinc/25/03/14/385250314.db2.gz HSALLVOHQSBSLC-ZDUSSCGKSA-N -1 3 248.282 2.714 20 0 BFADHM O=C(CC1CC1)Nc1ccc(Cl)cc1[O-] ZINC000153610423 385268184 /nfs/dbraw/zinc/26/81/84/385268184.db2.gz XSHHDCLCGBQXKR-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@@H]2CC23CC3)c([O-])c1 ZINC000424977558 385276175 /nfs/dbraw/zinc/27/61/75/385276175.db2.gz WEFXRDIWKNBPLK-CYBMUJFWSA-N -1 3 245.322 2.798 20 0 BFADHM Cc1ccc([O-])c(CN(C)Cc2ccccc2)n1 ZINC000154466865 385330022 /nfs/dbraw/zinc/33/00/22/385330022.db2.gz WIQLIFYXGCDCLS-UHFFFAOYSA-N -1 3 242.322 2.728 20 0 BFADHM CC/C=C/CCSc1ncc(C(=O)OC)[n-]1 ZINC000193543004 385400427 /nfs/dbraw/zinc/40/04/27/385400427.db2.gz VJFOTXVFFUTUES-SNAWJCMRSA-N -1 3 240.328 2.645 20 0 BFADHM CC(C)CON=C([O-])Nc1c(F)cccc1F ZINC000158182546 385553842 /nfs/dbraw/zinc/55/38/42/385553842.db2.gz VUJLEAREFRGKKW-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1c(F)cccc1F ZINC000158182546 385553845 /nfs/dbraw/zinc/55/38/45/385553845.db2.gz VUJLEAREFRGKKW-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC(C)CON=C([O-])Nc1cc(F)ccc1F ZINC000269690278 385623135 /nfs/dbraw/zinc/62/31/35/385623135.db2.gz NHOKUDPTGYINSG-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cc(F)ccc1F ZINC000269690278 385623137 /nfs/dbraw/zinc/62/31/37/385623137.db2.gz NHOKUDPTGYINSG-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CCc1ccc(C(=O)N[C@@H](C)CC2CC2)c([O-])c1 ZINC000436820720 385611869 /nfs/dbraw/zinc/61/18/69/385611869.db2.gz MNUKEUXIVKRXLP-JTQLQIEISA-N -1 3 247.338 2.873 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@H]1C1CCC1 ZINC000182324541 385656718 /nfs/dbraw/zinc/65/67/18/385656718.db2.gz ITTPVNWQGWJETN-AWEZNQCLSA-N -1 3 245.322 2.797 20 0 BFADHM O=C([N-]c1cnoc1)c1cc(F)ccc1Cl ZINC000645233625 385693687 /nfs/dbraw/zinc/69/36/87/385693687.db2.gz WIDOWOMNQYYDRS-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM FC(F)(F)c1nnc([N-]Cc2ccsc2)o1 ZINC000309594204 385718578 /nfs/dbraw/zinc/71/85/78/385718578.db2.gz UARUOCLMVIOLEA-UHFFFAOYSA-N -1 3 249.217 2.762 20 0 BFADHM CCCCN(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062750595 385775105 /nfs/dbraw/zinc/77/51/05/385775105.db2.gz QZVAHGVLOPKYSA-UHFFFAOYSA-N -1 3 239.290 2.756 20 0 BFADHM Cc1cscc1[N-]S(=O)(=O)CCC1CC1 ZINC000271265985 385811455 /nfs/dbraw/zinc/81/14/55/385811455.db2.gz MDULNTCRESVSTJ-UHFFFAOYSA-N -1 3 245.369 2.598 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@@H]2CC)c([O-])c1 ZINC000294214820 385823874 /nfs/dbraw/zinc/82/38/74/385823874.db2.gz YMOCKGZYMVGKRA-NSHDSACASA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccc(NC(=O)CSC2CC2)c([O-])c1 ZINC000294397454 385844360 /nfs/dbraw/zinc/84/43/60/385844360.db2.gz PBMHCFAQRXQWPH-UHFFFAOYSA-N -1 3 237.324 2.535 20 0 BFADHM Cc1coc(C)c1C(=O)Nc1ccc([O-])cc1F ZINC000334232138 385975657 /nfs/dbraw/zinc/97/56/57/385975657.db2.gz VSDUBGMMMBKXRI-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)C1CCC1 ZINC000295372360 386019371 /nfs/dbraw/zinc/01/93/71/386019371.db2.gz OLGHYLWGJIJVNJ-UHFFFAOYSA-N -1 3 227.254 2.655 20 0 BFADHM CC(F)(F)CC[S@](=O)c1cccc([O-])c1 ZINC000414247228 386057670 /nfs/dbraw/zinc/05/76/70/386057670.db2.gz OGVOLWFKNGNIAR-HNNXBMFYSA-N -1 3 234.267 2.545 20 0 BFADHM Cc1ccoc1CNCc1ccc([O-])c(F)c1 ZINC000336728160 386064600 /nfs/dbraw/zinc/06/46/00/386064600.db2.gz WMQHYVIARQVABM-UHFFFAOYSA-N -1 3 235.258 2.723 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1CC(F)(F)C1 ZINC000334441411 386070481 /nfs/dbraw/zinc/07/04/81/386070481.db2.gz ZVGJYQINWVFIQH-UHFFFAOYSA-N -1 3 245.200 2.515 20 0 BFADHM CCOc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000296214996 386152057 /nfs/dbraw/zinc/15/20/57/386152057.db2.gz OHJUTZXUNJGAJT-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CCOc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000296214996 386152066 /nfs/dbraw/zinc/15/20/66/386152066.db2.gz OHJUTZXUNJGAJT-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1 ZINC000424893513 386162448 /nfs/dbraw/zinc/16/24/48/386162448.db2.gz FFTKNBPOGILXKK-JSGCOSHPSA-N -1 3 245.322 2.558 20 0 BFADHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000235205842 386143848 /nfs/dbraw/zinc/14/38/48/386143848.db2.gz XMQJAAPNYLDPCX-SSDOTTSWSA-N -1 3 239.702 2.574 20 0 BFADHM Cc1nc(Cl)ccc1NC([O-])=NOC(C)C ZINC000297061139 386223836 /nfs/dbraw/zinc/22/38/36/386223836.db2.gz JNXYTOWURZHFRJ-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM Cc1nc(Cl)ccc1NC(=O)[N-]OC(C)C ZINC000297061139 386223840 /nfs/dbraw/zinc/22/38/40/386223840.db2.gz JNXYTOWURZHFRJ-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM CC[C@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000264630902 386255758 /nfs/dbraw/zinc/25/57/58/386255758.db2.gz OLVANWALXMJTHO-JTQLQIEISA-N -1 3 234.255 2.540 20 0 BFADHM CCc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1 ZINC000276355908 386308683 /nfs/dbraw/zinc/30/86/83/386308683.db2.gz LDCWFBXYDIGZFJ-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM CCc1ccc(-c2nc(CC3CC3)no2)c([O-])c1 ZINC000276364810 386311843 /nfs/dbraw/zinc/31/18/43/386311843.db2.gz NBNLBQMMTMHLMA-UHFFFAOYSA-N -1 3 244.294 2.957 20 0 BFADHM CCO[N-]C(=O)CCCc1ccccc1Cl ZINC000289479580 386313053 /nfs/dbraw/zinc/31/30/53/386313053.db2.gz IEPPWZPNTOJHJQ-UHFFFAOYSA-N -1 3 241.718 2.730 20 0 BFADHM CCc1noc(-c2ccc(CC)cc2[O-])n1 ZINC000276385922 386314305 /nfs/dbraw/zinc/31/43/05/386314305.db2.gz QXUSPSOGFNTZAZ-UHFFFAOYSA-N -1 3 218.256 2.567 20 0 BFADHM Cc1ccc([O-])c(CNc2ccccc2F)n1 ZINC000091993515 386318960 /nfs/dbraw/zinc/31/89/60/386318960.db2.gz PZKYIEOANYYABV-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM C[C@@H]1CC(C)(C)CN1C(=O)c1cccc([O-])c1 ZINC000335262538 386322527 /nfs/dbraw/zinc/32/25/27/386322527.db2.gz NZORBNIFZSAORD-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cnc(Cl)c(NC([O-])=NOC(C)C)c1 ZINC000297660294 386268631 /nfs/dbraw/zinc/26/86/31/386268631.db2.gz DXEBQBYKJHUWNR-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM Cc1cnc(Cl)c(NC(=O)[N-]OC(C)C)c1 ZINC000297660294 386268636 /nfs/dbraw/zinc/26/86/36/386268636.db2.gz DXEBQBYKJHUWNR-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM CCc1ccc(C(=O)N2CCCC[C@H]2C)c([O-])c1 ZINC000276068988 386269048 /nfs/dbraw/zinc/26/90/48/386269048.db2.gz FSDZFNODQBJSDV-LLVKDONJSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)ccc1[O-] ZINC000226717891 386368313 /nfs/dbraw/zinc/36/83/13/386368313.db2.gz OUFOEQUAYRJCPL-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000226717885 386368726 /nfs/dbraw/zinc/36/87/26/386368726.db2.gz OUFOEQUAYRJCPL-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM CCCCCNC(=O)c1ccc([O-])c(C)c1 ZINC000226713482 386369389 /nfs/dbraw/zinc/36/93/89/386369389.db2.gz XSQBMZYAOIFJMH-UHFFFAOYSA-N -1 3 221.300 2.621 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)ccc1[O-] ZINC000227034490 386450850 /nfs/dbraw/zinc/45/08/50/386450850.db2.gz FGEJYHZSBZUZPD-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000276992253 386398730 /nfs/dbraw/zinc/39/87/30/386398730.db2.gz XTCXUJFOYUXYIL-UHFFFAOYSA-N -1 3 247.338 2.782 20 0 BFADHM Cc1cc(C(=O)N2CCCC(C)(C)C2)ccc1[O-] ZINC000227028893 386451704 /nfs/dbraw/zinc/45/17/04/386451704.db2.gz JVLIEILQLCXQBY-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)NCC2(C(C)C)CC2)ccc1[O-] ZINC000227038738 386451936 /nfs/dbraw/zinc/45/19/36/386451936.db2.gz SQMPWLTVPAKCCK-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CCc1cc(C(=O)N(CC)CC2CC2)ccc1[O-] ZINC000291744631 386575674 /nfs/dbraw/zinc/57/56/74/386575674.db2.gz DHEBALFIDGIRSJ-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CC[C@H](CC(=O)[N-]OC/C=C/Cl)C(C)C ZINC000291888123 386595972 /nfs/dbraw/zinc/59/59/72/386595972.db2.gz QZXNWYAHHQHBRQ-BRAIEQGRSA-N -1 3 233.739 2.859 20 0 BFADHM CC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000267389523 386537063 /nfs/dbraw/zinc/53/70/63/386537063.db2.gz WNFYYWBNVSAKJZ-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM CC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000267453292 386544637 /nfs/dbraw/zinc/54/46/37/386544637.db2.gz GAHDXZXFEFYMEW-UHFFFAOYSA-N -1 3 205.257 2.521 20 0 BFADHM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000457228880 386550417 /nfs/dbraw/zinc/55/04/17/386550417.db2.gz HDQIKWHEWYJTBM-UKRRQHHQSA-N -1 3 247.338 2.947 20 0 BFADHM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(C)cc2[O-])O1 ZINC000268256275 386632330 /nfs/dbraw/zinc/63/23/30/386632330.db2.gz QNLQFTZTZZCWMG-GWCFXTLKSA-N -1 3 249.310 2.597 20 0 BFADHM CCc1cc(C(=O)N2CC[C@@H](CC)C2)ccc1[O-] ZINC000292241629 386638039 /nfs/dbraw/zinc/63/80/39/386638039.db2.gz RRKHESJHARLMJZ-LLVKDONJSA-N -1 3 247.338 2.827 20 0 BFADHM CC(C(=O)[N-]OC/C=C/Cl)=C1CCCC1 ZINC000292251787 386640958 /nfs/dbraw/zinc/64/09/58/386640958.db2.gz UPVKXVHEUJMGHA-QPJJXVBHSA-N -1 3 229.707 2.677 20 0 BFADHM CC(C)(C)CCC(=O)[N-]OC/C=C/Cl ZINC000291971651 386605394 /nfs/dbraw/zinc/60/53/94/386605394.db2.gz YIMZLAJZJQIXFJ-QPJJXVBHSA-N -1 3 219.712 2.613 20 0 BFADHM CC(C)CCC(=O)Nc1ccccc1[O-] ZINC000248294237 386754172 /nfs/dbraw/zinc/75/41/72/386754172.db2.gz VVPLCTGKEXQWHP-UHFFFAOYSA-N -1 3 207.273 2.767 20 0 BFADHM CCc1ccc(CCC(=O)[N-]OCC2CC2)cc1 ZINC000293714988 386867658 /nfs/dbraw/zinc/86/76/58/386867658.db2.gz FXISLZUFGHZKDO-UHFFFAOYSA-N -1 3 247.338 2.639 20 0 BFADHM CC(F)(F)C(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000293922227 386904098 /nfs/dbraw/zinc/90/40/98/386904098.db2.gz FGOJWHGSCZKWLE-MRVPVSSYSA-N -1 3 249.207 2.764 20 0 BFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000332012963 386941331 /nfs/dbraw/zinc/94/13/31/386941331.db2.gz UELUTUKDSGLHKY-QMTHXVAHSA-N -1 3 249.310 2.776 20 0 BFADHM CS[C@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000358550889 386978516 /nfs/dbraw/zinc/97/85/16/386978516.db2.gz CSZBCOLDTXGYFM-SECBINFHSA-N -1 3 239.340 2.862 20 0 BFADHM CN(Cc1ccco1)Cc1cc([O-])cc(F)c1 ZINC000186161825 387074272 /nfs/dbraw/zinc/07/42/72/387074272.db2.gz IDQABTDMYSBPEY-UHFFFAOYSA-N -1 3 235.258 2.756 20 0 BFADHM [O-]c1cc(F)cc(CN2CCCC3(CC3)C2)c1 ZINC000186622792 387117098 /nfs/dbraw/zinc/11/70/98/387117098.db2.gz YFPFRRSXAXYGIB-UHFFFAOYSA-N -1 3 235.302 2.907 20 0 BFADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C(F)F ZINC000336367628 387198290 /nfs/dbraw/zinc/19/82/90/387198290.db2.gz ZLRNJHZGDVGGGS-UHFFFAOYSA-N -1 3 247.216 2.761 20 0 BFADHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000572168623 387254956 /nfs/dbraw/zinc/25/49/56/387254956.db2.gz FJKMWWJJNWFQQK-LLVKDONJSA-N -1 3 241.356 2.679 20 0 BFADHM Cc1ccc(NC(=O)c2ccncc2C)c([O-])c1 ZINC000301848468 387268656 /nfs/dbraw/zinc/26/86/56/387268656.db2.gz LRQFNJOWZFLZBL-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCc1cc(C(=O)NC2(C3CC3)CC2)ccc1[O-] ZINC000515950027 387445880 /nfs/dbraw/zinc/44/58/80/387445880.db2.gz JWPJACBBFBKLMY-UHFFFAOYSA-N -1 3 245.322 2.627 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000361611045 387510333 /nfs/dbraw/zinc/51/03/33/387510333.db2.gz OXRDXAPBUFOKKF-HZMBPMFUSA-N -1 3 248.326 2.716 20 0 BFADHM Cc1ccc(CNCc2ncccc2[O-])cc1C ZINC000355324722 387520030 /nfs/dbraw/zinc/52/00/30/387520030.db2.gz YDLHYMPKIXNMFN-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM CC(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000026513630 387472897 /nfs/dbraw/zinc/47/28/97/387472897.db2.gz WNYGMAQFYMJQBA-UHFFFAOYSA-N -1 3 204.229 2.566 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[O-] ZINC000399532434 387553262 /nfs/dbraw/zinc/55/32/62/387553262.db2.gz HENJDUHDZTUFKT-TUAOUCFPSA-N -1 3 247.338 2.817 20 0 BFADHM CCc1cc(C(=O)N2[C@H](C)CC[C@H]2C)ccc1[O-] ZINC000362894609 387669754 /nfs/dbraw/zinc/66/97/54/387669754.db2.gz CPPVBPZMNFDHMD-GHMZBOCLSA-N -1 3 247.338 2.968 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)CCC2(C)C)n1 ZINC000452002588 387696959 /nfs/dbraw/zinc/69/69/59/387696959.db2.gz FFELCBBSLCPOKK-JTQLQIEISA-N -1 3 249.358 2.508 20 0 BFADHM CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000157058137 387725791 /nfs/dbraw/zinc/72/57/91/387725791.db2.gz NIVUFLUPQSNEFA-UHFFFAOYSA-N -1 3 243.262 2.544 20 0 BFADHM Cc1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000066280311 388027792 /nfs/dbraw/zinc/02/77/92/388027792.db2.gz BULOQNGQXZDCAA-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM CCCCn1c(=O)[n-]nc1SC[C@@H](F)CC ZINC000440582373 388057020 /nfs/dbraw/zinc/05/70/20/388057020.db2.gz YIZLHCRKAYLQMS-QMMMGPOBSA-N -1 3 247.339 2.624 20 0 BFADHM CC[C@H](CC(C)C)C(=O)Nc1ncccc1[O-] ZINC000449107216 388143731 /nfs/dbraw/zinc/14/37/31/388143731.db2.gz LRAOBCNDZYTIEB-SNVBAGLBSA-N -1 3 236.315 2.798 20 0 BFADHM C/C=C/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000082879396 256560126 /nfs/dbraw/zinc/56/01/26/256560126.db2.gz VLCHAOLHDBBJHE-MQQKCMAXSA-N -1 3 221.231 2.602 20 0 BFADHM CO[C@@H](C)CCNCc1cccc([O-])c1Cl ZINC000293521104 388388923 /nfs/dbraw/zinc/38/89/23/388388923.db2.gz IPKZAFBFBXKLPF-VIFPVBQESA-N -1 3 243.734 2.560 20 0 BFADHM O=C(/C=C/C1CCC1)NCc1ccc([O-])c(F)c1 ZINC000492212733 388338149 /nfs/dbraw/zinc/33/81/49/388338149.db2.gz BVKSMVPEXMXZPO-FNORWQNLSA-N -1 3 249.285 2.504 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CCC2(C)C)c1[O-] ZINC000310329973 388480617 /nfs/dbraw/zinc/48/06/17/388480617.db2.gz ZYUVKQCUHFCZIE-NSHDSACASA-N -1 3 233.311 2.619 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)C1CC1 ZINC000649229139 388463536 /nfs/dbraw/zinc/46/35/36/388463536.db2.gz OQYFWQXRMBDOLH-UHFFFAOYSA-N -1 3 249.358 2.638 20 0 BFADHM COC[C@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000295336301 388411487 /nfs/dbraw/zinc/41/14/87/388411487.db2.gz MJFSNJQDIACVJP-VIFPVBQESA-N -1 3 243.734 2.512 20 0 BFADHM C[C@@H](F)CCNCc1cccc([O-])c1Cl ZINC000339485600 388484278 /nfs/dbraw/zinc/48/42/78/388484278.db2.gz QHAOWPPXBJYTCG-MRVPVSSYSA-N -1 3 231.698 2.883 20 0 BFADHM Cc1ccc(NC(=O)[C@H](C)C(C)(F)F)c([O-])c1 ZINC000328231629 388587267 /nfs/dbraw/zinc/58/72/67/388587267.db2.gz DSKOBEWEFDAYQK-QMMMGPOBSA-N -1 3 243.253 2.930 20 0 BFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000136990052 388553685 /nfs/dbraw/zinc/55/36/85/388553685.db2.gz NVGGIWZLWRTZRS-TVQRCGJNSA-N -1 3 237.274 2.906 20 0 BFADHM COC(C)(C)CNCc1cccc([O-])c1Cl ZINC000328191275 388585886 /nfs/dbraw/zinc/58/58/86/388585886.db2.gz CZXCADVQPPGEBG-UHFFFAOYSA-N -1 3 243.734 2.560 20 0 BFADHM Cc1cc(C(=O)NC[C@@H](C)C(C)C)ccc1[O-] ZINC000227033037 388737665 /nfs/dbraw/zinc/73/76/65/388737665.db2.gz NLDYRJMDMWLTEL-LLVKDONJSA-N -1 3 235.327 2.723 20 0 BFADHM CCC[C@@H](CC)[N-]S(=O)(=O)c1cccs1 ZINC000195213937 388700539 /nfs/dbraw/zinc/70/05/39/388700539.db2.gz WPTPESJVAOQYLX-SECBINFHSA-N -1 3 247.385 2.605 20 0 BFADHM Cc1ccc(C(=O)NCCCC2CC2)c([O-])c1C ZINC000522974877 388783199 /nfs/dbraw/zinc/78/31/99/388783199.db2.gz DVYYVPAEIHOXAN-UHFFFAOYSA-N -1 3 247.338 2.929 20 0 BFADHM O=C(CC1CCC1)Nc1cccc([O-])c1F ZINC000129170086 388821520 /nfs/dbraw/zinc/82/15/20/388821520.db2.gz WQDGPFQWXMYMAQ-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCCCCC2)c1 ZINC000523322431 388827066 /nfs/dbraw/zinc/82/70/66/388827066.db2.gz LMNMBEITSNSNQA-UHFFFAOYSA-N -1 3 247.338 2.971 20 0 BFADHM C[C@@H]1CC(C(=O)Nc2ccccc2[O-])C[C@@H](C)O1 ZINC000094034310 388858833 /nfs/dbraw/zinc/85/88/33/388858833.db2.gz COOUVULILIBTTG-NXEZZACHSA-N -1 3 249.310 2.534 20 0 BFADHM CCc1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1 ZINC000564713553 388886032 /nfs/dbraw/zinc/88/60/32/388886032.db2.gz RHEGNAXQBWQODU-UHFFFAOYSA-N -1 3 245.322 2.627 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC1(F)F ZINC000565666680 388961885 /nfs/dbraw/zinc/96/18/85/388961885.db2.gz LUWDODDPHWYHIC-RXMQYKEDSA-N -1 3 247.628 2.639 20 0 BFADHM C[C@H](c1ccco1)N(C)CCCCC(=O)[O-] ZINC000565957123 388981953 /nfs/dbraw/zinc/98/19/53/388981953.db2.gz MPMFPMIVESQQEV-SNVBAGLBSA-N -1 3 225.288 2.527 20 0 BFADHM Cc1cc(C(=O)N(C)CCC2CC2)ccc1[O-] ZINC000272626052 389032937 /nfs/dbraw/zinc/03/29/37/389032937.db2.gz JODPCFJYACIGOD-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM C[C@@H](N(C)C(=O)c1cccc([O-])c1)C1(C)CC1 ZINC000272550245 389033223 /nfs/dbraw/zinc/03/32/23/389033223.db2.gz ASJFGMQIXXBXOW-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM CC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC000044366106 322841512 /nfs/dbraw/zinc/84/15/12/322841512.db2.gz JAYPTHWVJLGHED-UHFFFAOYSA-N -1 3 233.311 2.845 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2C=CCCC2)ccc1[O-] ZINC000335968231 134028884 /nfs/dbraw/zinc/02/88/84/134028884.db2.gz KRIUTXIVVGVCPM-GFCCVEGCSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1c[nH]cc1C(=O)Nc1c(C)cccc1[O-] ZINC000335968385 134029023 /nfs/dbraw/zinc/02/90/23/134029023.db2.gz WGQCICZIKIUNDV-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM Cc1nc(C)c(NC(=O)c2cccc([O-])c2)s1 ZINC000335972093 134030261 /nfs/dbraw/zinc/03/02/61/134030261.db2.gz NSVFYQLMFNUBDW-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)cc(F)c2)n1 ZINC000352036217 134045481 /nfs/dbraw/zinc/04/54/81/134045481.db2.gz XXLGAISOXAEHKQ-NSCUHMNNSA-N -1 3 248.232 2.939 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1CC(F)(F)C1 ZINC000336040173 134061396 /nfs/dbraw/zinc/06/13/96/134061396.db2.gz GCWIRQVMGIJKBX-UHFFFAOYSA-N -1 3 245.200 2.515 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@H]1CCC(F)(F)C1 ZINC000336082570 134075642 /nfs/dbraw/zinc/07/56/42/134075642.db2.gz CLFGUYORRZOTNE-QMMMGPOBSA-N -1 3 241.237 2.766 20 0 BFADHM Cc1cccc(C(=O)N2CCCC23CCC3)c1[O-] ZINC000336183697 134120812 /nfs/dbraw/zinc/12/08/12/134120812.db2.gz SLJYQBUDYULHQC-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM [O-]c1ccc(F)c(CN2CC[C@H]2C2CC2)c1F ZINC000336216350 134137300 /nfs/dbraw/zinc/13/73/00/134137300.db2.gz UOVBMVDCCDZXHQ-NSHDSACASA-N -1 3 239.265 2.655 20 0 BFADHM Cc1ccc(NC(=O)c2ccnc(C)c2)c([O-])c1 ZINC000170234534 134252102 /nfs/dbraw/zinc/25/21/02/134252102.db2.gz GAYDHPTUCMLXCQ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)cn1 ZINC000223128407 134337115 /nfs/dbraw/zinc/33/71/15/134337115.db2.gz FSJKIXDVLGPRMH-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM CC(C)CC1(CNC(=O)c2cccc([O-])c2)CC1 ZINC000182592972 134346069 /nfs/dbraw/zinc/34/60/69/134346069.db2.gz DEWARBZNTAUDPN-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)[C@@H](C)C1 ZINC000226204429 134361807 /nfs/dbraw/zinc/36/18/07/134361807.db2.gz IIANKBOXVYIRCY-UHIISALHSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)ccn1 ZINC000227028623 134373718 /nfs/dbraw/zinc/37/37/18/134373718.db2.gz WXJYXUBJLLYDLP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cc(C(=O)NCC2(C)CCC2)ccc1[O-] ZINC000227038493 134373880 /nfs/dbraw/zinc/37/38/80/134373880.db2.gz UBHWAOONFZYVEU-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM C=Cc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000185296379 134375925 /nfs/dbraw/zinc/37/59/25/134375925.db2.gz ISBWSPFSMILITE-UHFFFAOYSA-N -1 3 240.262 2.683 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235352423 134592384 /nfs/dbraw/zinc/59/23/84/134592384.db2.gz JOMSIZAYJWACRW-MRVPVSSYSA-N -1 3 239.702 2.528 20 0 BFADHM CC(C)[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000136120661 134765168 /nfs/dbraw/zinc/76/51/68/134765168.db2.gz CSHOMIRUYRXMOU-GFCCVEGCSA-N -1 3 233.311 2.510 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC[C@@H]2CC=CCC2)c1 ZINC000044569519 322842645 /nfs/dbraw/zinc/84/26/45/322842645.db2.gz LGQLWZMPDHTOFW-GFCCVEGCSA-N -1 3 245.322 2.787 20 0 BFADHM C/C=C\CSCc1nc(CC)cc(=O)[n-]1 ZINC000255916622 135097638 /nfs/dbraw/zinc/09/76/38/135097638.db2.gz YKEZWPYFYSMXMC-HYXAFXHYSA-N -1 3 224.329 2.554 20 0 BFADHM CCC[C@@H](NCc1ccsc1Cl)C(=O)[O-] ZINC000261531036 135159146 /nfs/dbraw/zinc/15/91/46/135159146.db2.gz DYLFMQYRHYKVDH-MRVPVSSYSA-N -1 3 247.747 2.744 20 0 BFADHM Cc1cc(C(=O)Nc2ccccc2[O-])ccc1O ZINC000334347907 135366297 /nfs/dbraw/zinc/36/62/97/135366297.db2.gz SBDPOBOFDRTRDB-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC12CC2 ZINC000335551742 136098404 /nfs/dbraw/zinc/09/84/04/136098404.db2.gz VHSZSYRPFPLGOT-MRVPVSSYSA-N -1 3 237.686 2.784 20 0 BFADHM Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)c([O-])c1 ZINC000335569305 136108666 /nfs/dbraw/zinc/10/86/66/136108666.db2.gz UNBLVUVWEQVZDS-QMTHXVAHSA-N -1 3 231.295 2.829 20 0 BFADHM Cc1ccc(NC(=O)[C@]2(C)CCCCO2)c([O-])c1 ZINC000335578916 136111851 /nfs/dbraw/zinc/11/18/51/136111851.db2.gz JONWMFUFBHDJAB-AWEZNQCLSA-N -1 3 249.310 2.598 20 0 BFADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(O)cc1[O-] ZINC000221486846 398118074 /nfs/dbraw/zinc/11/80/74/398118074.db2.gz KUIVEMAICVRCCS-NXEZZACHSA-N -1 3 249.310 2.501 20 0 BFADHM CC(C)OCCNCc1cccc([O-])c1Cl ZINC000293315743 167240709 /nfs/dbraw/zinc/24/07/09/167240709.db2.gz QOVNYGKVDBTFPV-UHFFFAOYSA-N -1 3 243.734 2.560 20 0 BFADHM CO[C@H](C)[C@@H](C)[N-]c1nc(-c2ccccc2)no1 ZINC000685927435 487598743 /nfs/dbraw/zinc/59/87/43/487598743.db2.gz XAYIUFUKUOSLRG-NXEZZACHSA-N -1 3 247.298 2.572 20 0 BFADHM Cc1cc(C(=O)NC2(C)CC=CC2)ccc1[O-] ZINC000655223399 409627917 /nfs/dbraw/zinc/62/79/17/409627917.db2.gz QYWPYBFMZORPCB-UHFFFAOYSA-N -1 3 231.295 2.539 20 0 BFADHM CCc1cccc(C(=O)NC2(C)CC=CC2)c1[O-] ZINC000655223935 409630930 /nfs/dbraw/zinc/63/09/30/409630930.db2.gz YUYDSVRDDCRJOD-UHFFFAOYSA-N -1 3 245.322 2.793 20 0 BFADHM Cc1cc([C@H](C)N2CC3CC2(C)C3)oc1C(=O)[O-] ZINC000663314920 410108329 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177193050 /nfs/dbraw/zinc/19/30/50/177193050.db2.gz QHRDATDJYLIOSZ-DTWKUNHWSA-N -1 3 241.281 2.949 20 0 BFADHM C[C@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000088707532 177197905 /nfs/dbraw/zinc/19/79/05/177197905.db2.gz APFVVMJNCCPJNG-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H](C)C1 ZINC000119394458 177310172 /nfs/dbraw/zinc/31/01/72/177310172.db2.gz TYHDRDIZXLZCOO-RYUDHWBXSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc([O-])c2)C1 ZINC000019840013 177311869 /nfs/dbraw/zinc/31/18/69/177311869.db2.gz BVLJUFNAADWNST-PHIMTYICSA-N -1 3 233.311 2.510 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1(CF)CCC1 ZINC000335484659 487639465 /nfs/dbraw/zinc/63/94/65/487639465.db2.gz IGILKUHVKXSOBI-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000672128673 487647665 /nfs/dbraw/zinc/64/76/65/487647665.db2.gz OZNKBSFWQHQGOO-YPMHNXCESA-N -1 3 245.322 2.579 20 0 BFADHM CSc1cccc(C)c1[N-]C(=O)c1cocn1 ZINC000681152958 487737786 /nfs/dbraw/zinc/73/77/86/487737786.db2.gz GEXQDGGOOJCDOF-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM CC(C)(C)CC(C)(C)C(=O)[N-]OCC1CC1 ZINC000820485192 587051274 /nfs/dbraw/zinc/05/12/74/587051274.db2.gz XJPKLOAQBZNJLG-UHFFFAOYSA-N -1 3 227.348 2.907 20 0 BFADHM CC(C)c1ncc(C(=O)[N-]c2cnoc2)s1 ZINC000676503078 487858829 /nfs/dbraw/zinc/85/88/29/487858829.db2.gz WTEDGGPHLGNADS-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM CC(C)N(Cc1csc(C(=O)[O-])c1)C1CC1 ZINC000652403451 487944850 /nfs/dbraw/zinc/94/48/50/487944850.db2.gz FCXZQLKWCGZKMF-UHFFFAOYSA-N -1 3 239.340 2.819 20 0 BFADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1cccs1 ZINC000130201003 323010467 /nfs/dbraw/zinc/01/04/67/323010467.db2.gz FJCIODDWTIDYAJ-MRVPVSSYSA-N -1 3 248.307 2.591 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)(C)CC2)n1 ZINC000562943299 323034477 /nfs/dbraw/zinc/03/44/77/323034477.db2.gz PZAPQXHNWHHXBZ-LLVKDONJSA-N -1 3 249.358 2.674 20 0 BFADHM [O-]c1cccc2ccc(/C=C/c3cnccn3)nc12 ZINC000570314759 323056100 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/nfs/dbraw/zinc/22/58/31/324225831.db2.gz UXFITSJTURRGMX-LLVKDONJSA-N -1 3 223.316 2.557 20 0 BFADHM CCCN(C(=O)c1cccc([O-])c1)C(C)C ZINC000037096482 324268797 /nfs/dbraw/zinc/26/87/97/324268797.db2.gz HPQCGDNYBOZWBH-UHFFFAOYSA-N -1 3 221.300 2.653 20 0 BFADHM Cc1scnc1[N-]C(=O)c1ocnc1C1CC1 ZINC000529546320 324335389 /nfs/dbraw/zinc/33/53/89/324335389.db2.gz XAZRDKWQLQMHEW-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000129381916 324942628 /nfs/dbraw/zinc/94/26/28/324942628.db2.gz DIMXHGSWAVNPNZ-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1CCCC1 ZINC000129414063 324947395 /nfs/dbraw/zinc/94/73/95/324947395.db2.gz UXUCMJPXKWIEII-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2ccnc(C)c2)c1 ZINC000072710045 325168240 /nfs/dbraw/zinc/16/82/40/325168240.db2.gz ZDQATUDNWUPDGU-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CC=CCC1 ZINC000133013351 325260150 /nfs/dbraw/zinc/26/01/50/325260150.db2.gz TVHIRSGYBSUHJV-NSHDSACASA-N -1 3 249.285 2.504 20 0 BFADHM COc1cccc(-c2nc([C@@H]3C[C@@H]3C)no2)c1[O-] ZINC000088055467 325645911 /nfs/dbraw/zinc/64/59/11/325645911.db2.gz BWCGBXQWZAOIGU-IONNQARKSA-N -1 3 246.266 2.574 20 0 BFADHM O=C(NCC(C1CC1)C1CC1)c1cccc([O-])c1 ZINC000088459109 325658844 /nfs/dbraw/zinc/65/88/44/325658844.db2.gz AMTZUXRMVVKVBV-UHFFFAOYSA-N -1 3 245.322 2.558 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1cccnc1 ZINC000552782670 325665448 /nfs/dbraw/zinc/66/54/48/325665448.db2.gz ZKWSLPCNCIMBOB-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CC1=CCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000566360373 326036934 /nfs/dbraw/zinc/03/69/34/326036934.db2.gz WYDWUFCJFCBXQC-UHFFFAOYSA-N -1 3 249.285 2.676 20 0 BFADHM CCc1coc([N-]C(=O)c2cc(C(C)C)no2)n1 ZINC000566871204 326090753 /nfs/dbraw/zinc/09/07/53/326090753.db2.gz UQKDTVULBDCEGP-UHFFFAOYSA-N -1 3 249.270 2.601 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000682532024 487978615 /nfs/dbraw/zinc/97/86/15/487978615.db2.gz BJSSDKNWAYQUKY-HOSYDEDBSA-N -1 3 245.322 2.888 20 0 BFADHM CC(C)O[N-]C(=O)/C=C\c1ccccc1Cl ZINC000379146463 488011652 /nfs/dbraw/zinc/01/16/52/488011652.db2.gz HJPZHPUYSAPSPT-FPLPWBNLSA-N -1 3 239.702 2.809 20 0 BFADHM C=C/C(C)=C\CC(=O)Nc1cc(F)ccc1[O-] ZINC000682695921 488021793 /nfs/dbraw/zinc/02/17/93/488021793.db2.gz ZYFJSLUQIWOBSZ-WTKPLQERSA-N -1 3 235.258 2.992 20 0 BFADHM CC(C)N(C)Cc1cccc([O-])c1Cl ZINC000294777192 488023655 /nfs/dbraw/zinc/02/36/55/488023655.db2.gz BLUFDLGWINRVGH-UHFFFAOYSA-N -1 3 213.708 2.886 20 0 BFADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)c1ccco1 ZINC000679920250 487488726 /nfs/dbraw/zinc/48/87/26/487488726.db2.gz LQGAGJJOFXFILO-QMMMGPOBSA-N -1 3 249.241 2.867 20 0 BFADHM CC[C@H](COC)[N-]c1nc(-c2ccccc2)no1 ZINC000685908882 488142981 /nfs/dbraw/zinc/14/29/81/488142981.db2.gz FOFPJXYDZUMFLK-LLVKDONJSA-N -1 3 247.298 2.574 20 0 BFADHM O=C([O-])c1cccc(Cl)c1CN1CCCC1 ZINC000211252732 488211416 /nfs/dbraw/zinc/21/14/16/488211416.db2.gz BUFAOMZSOSJGCS-UHFFFAOYSA-N -1 3 239.702 2.634 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]3C[C@@H]32)c1 ZINC000672138424 488240291 /nfs/dbraw/zinc/24/02/91/488240291.db2.gz TWIWHIDZHFVEIO-YPMHNXCESA-N -1 3 245.322 2.579 20 0 BFADHM O=c1[n-]c(-c2cscn2)nc2ccc(F)cc12 ZINC000683920964 488245328 /nfs/dbraw/zinc/24/53/28/488245328.db2.gz ULIGKOKEHQFMJU-UHFFFAOYSA-N -1 3 247.254 2.598 20 0 BFADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])c(C)[nH]1 ZINC000679320635 488335037 /nfs/dbraw/zinc/33/50/37/488335037.db2.gz CLJIAUGJBCHEIK-UHFFFAOYSA-N -1 3 244.294 2.898 20 0 BFADHM Cc1ccc([O-])c(CN(C)Cc2ccsc2)n1 ZINC000120458899 490061841 /nfs/dbraw/zinc/06/18/41/490061841.db2.gz OGXDRHZVGLDKPX-UHFFFAOYSA-N -1 3 248.351 2.789 20 0 BFADHM C[C@@H]1CCCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000652442155 491085190 /nfs/dbraw/zinc/08/51/90/491085190.db2.gz NOKJWXKYYSRSMB-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@H](C)C2)c1[O-] ZINC000081808456 491097074 /nfs/dbraw/zinc/09/70/74/491097074.db2.gz XXOBHKATOYSMKH-NSHDSACASA-N -1 3 247.338 2.827 20 0 BFADHM CCC(C)(C)CC(=O)[N-]OC/C=C/Cl ZINC000812401217 582514084 /nfs/dbraw/zinc/51/40/84/582514084.db2.gz IACIEQXXSXJMKT-AATRIKPKSA-N -1 3 219.712 2.613 20 0 BFADHM CCCO[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000493585936 528599864 /nfs/dbraw/zinc/59/98/64/528599864.db2.gz OCUUNRHVERIHBX-GQCTYLIASA-N -1 3 245.731 2.873 20 0 BFADHM CCOC(=O)[N-]OCCCc1cccc(C)c1 ZINC000496698207 529082481 /nfs/dbraw/zinc/08/24/81/529082481.db2.gz LHAUJFOOFJWDBW-UHFFFAOYSA-N -1 3 237.299 2.605 20 0 BFADHM CCOC([O-])=NOCCCc1cccc(C)c1 ZINC000496698207 529082479 /nfs/dbraw/zinc/08/24/79/529082479.db2.gz LHAUJFOOFJWDBW-UHFFFAOYSA-N -1 3 237.299 2.605 20 0 BFADHM CC(C)N(C(=O)c1ccccc1[O-])C1CCC1 ZINC000335677650 534956986 /nfs/dbraw/zinc/95/69/86/534956986.db2.gz MEBLBYVVEAAWEL-UHFFFAOYSA-N -1 3 233.311 2.795 20 0 BFADHM CC(C)[C@H]1CCN1Cc1cc([O-])cc(F)c1 ZINC000352021943 535202915 /nfs/dbraw/zinc/20/29/15/535202915.db2.gz NFZCIQGUKPBPNQ-CYBMUJFWSA-N -1 3 223.291 2.762 20 0 BFADHM CCc1ccc2nccc(N[C@H](C)C(=O)[O-])c2c1 ZINC000263381856 535833711 /nfs/dbraw/zinc/83/37/11/535833711.db2.gz CSISSUJYGOOCBG-SECBINFHSA-N -1 3 244.294 2.682 20 0 BFADHM CC1(C)CC[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000854289363 588782479 /nfs/dbraw/zinc/78/24/79/588782479.db2.gz LZUWVFSEMFYHEN-GFCCVEGCSA-N -1 3 233.311 2.671 20 0 BFADHM CCC(F)(F)C(=O)[N-]CC(C)(C)C(F)(F)F ZINC000854364652 588785265 /nfs/dbraw/zinc/78/52/65/588785265.db2.gz HVLSQQPEQMONIA-UHFFFAOYSA-N -1 3 247.207 2.736 20 0 BFADHM CC1=CC[C@](C)(C(=O)[N-]OC/C=C\Cl)CC1 ZINC000854533087 588790883 /nfs/dbraw/zinc/79/08/83/588790883.db2.gz AFMNTAONDRKSAA-KJPDOOANSA-N -1 3 243.734 2.923 20 0 BFADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]Oc1ccccc1 ZINC000854536992 588791617 /nfs/dbraw/zinc/79/16/17/588791617.db2.gz LWODMOBXHWQYSA-VXGBXAGGSA-N -1 3 233.311 2.923 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Cc1cc(C)cc(C)c1 ZINC000854603032 588796922 /nfs/dbraw/zinc/79/69/22/588796922.db2.gz SQRJZBWBLSOWOM-LLVKDONJSA-N -1 3 249.354 2.940 20 0 BFADHM Cc1cc(C)cc(CC(=O)[N-]OCCC2CC2)c1 ZINC000854640698 588799003 /nfs/dbraw/zinc/79/90/03/588799003.db2.gz VXPOUNRUBJFZDM-UHFFFAOYSA-N -1 3 247.338 2.694 20 0 BFADHM Cc1conc1[N-]C(=O)c1ncsc1C1CC1 ZINC000890885374 582586473 /nfs/dbraw/zinc/58/64/73/582586473.db2.gz DCFUAKHOQPPEQC-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM O=c1cc(N2CCC[C@H]2c2ccccc2)nc[n-]1 ZINC000891660676 582706580 /nfs/dbraw/zinc/70/65/80/582706580.db2.gz QBWAIZZHIMLGLJ-LBPRGKRZSA-N -1 3 241.294 2.524 20 0 BFADHM Cc1cccc2c1CC[C@H]2Nc1cc(=O)[n-]cn1 ZINC000892340875 582860632 /nfs/dbraw/zinc/86/06/32/582860632.db2.gz UTNVTKYQFRTMOE-GFCCVEGCSA-N -1 3 241.294 2.590 20 0 BFADHM CN(Cc1cc(C(=O)[O-])ccc1F)C1CCC1 ZINC000144505699 582881391 /nfs/dbraw/zinc/88/13/91/582881391.db2.gz IORRYABJNVIHEA-UHFFFAOYSA-N -1 3 237.274 2.508 20 0 BFADHM COc1ccc(NC(=O)c2ccsc2)c([O-])c1 ZINC000135406411 582966702 /nfs/dbraw/zinc/96/67/02/582966702.db2.gz MBKVQPVVUKCECN-UHFFFAOYSA-N -1 3 249.291 2.715 20 0 BFADHM COc1ccc(NC(=O)C[C@@H]2C=CCC2)c([O-])c1 ZINC000135410539 582966714 /nfs/dbraw/zinc/96/67/14/582966714.db2.gz GGRMJKJJGBGOKW-SNVBAGLBSA-N -1 3 247.294 2.696 20 0 BFADHM COc1ccc(NC(=O)C2CCCC2)c([O-])c1 ZINC000135406149 582966939 /nfs/dbraw/zinc/96/69/39/582966939.db2.gz KKSVETOPZUAEPM-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM O=C(CCCC(F)(F)F)[N-]OCC1CCC1 ZINC000856350518 588870020 /nfs/dbraw/zinc/87/00/20/588870020.db2.gz YGVQQAULPRXHBU-UHFFFAOYSA-N -1 3 239.237 2.567 20 0 BFADHM O=C(OCCCC1CCCC1)c1cncc([O-])c1 ZINC000745002958 583007034 /nfs/dbraw/zinc/00/70/34/583007034.db2.gz XZXHSKZSRRFIJZ-UHFFFAOYSA-N -1 3 249.310 2.914 20 0 BFADHM CC(C)(CC(=O)[N-]Oc1ccccc1)C1CC1 ZINC000854536615 583088215 /nfs/dbraw/zinc/08/82/15/583088215.db2.gz RZDGLBPHXJCIFY-UHFFFAOYSA-N -1 3 233.311 2.923 20 0 BFADHM CC1(C)C(C(=O)[N-]OCC2CCC2)C1(C)C ZINC000856348129 588868887 /nfs/dbraw/zinc/86/88/87/588868887.db2.gz QLNBKHZJLZORES-UHFFFAOYSA-N -1 3 225.332 2.517 20 0 BFADHM Cc1ccccc1CCC(=O)[N-]OCC1CCC1 ZINC000856347316 588868970 /nfs/dbraw/zinc/86/89/70/588868970.db2.gz MGOGALSOZNRVSE-UHFFFAOYSA-N -1 3 247.338 2.776 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCC2CCC2)C1 ZINC000856347962 588869040 /nfs/dbraw/zinc/86/90/40/588869040.db2.gz JUVVLCYMUNHYLU-PWSUYJOCSA-N -1 3 225.332 2.661 20 0 BFADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCC2CCC2)C1 ZINC000856347960 588869126 /nfs/dbraw/zinc/86/91/26/588869126.db2.gz JUVVLCYMUNHYLU-CMPLNLGQSA-N -1 3 225.332 2.661 20 0 BFADHM CCON=C([O-])Nc1nc(C(C)(C)C)cs1 ZINC000726876048 583380288 /nfs/dbraw/zinc/38/02/88/583380288.db2.gz DJKOKNZVHCBZTI-UHFFFAOYSA-N -1 3 243.332 2.514 20 0 BFADHM CCO[N-]C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000726876048 583380290 /nfs/dbraw/zinc/38/02/90/583380290.db2.gz DJKOKNZVHCBZTI-UHFFFAOYSA-N -1 3 243.332 2.514 20 0 BFADHM C/C(=C\C(=O)[N-]OC(C)C)c1cccs1 ZINC000857276518 588902665 /nfs/dbraw/zinc/90/26/65/588902665.db2.gz GFSDGTRHHUJDQI-VQHVLOKHSA-N -1 3 225.313 2.608 20 0 BFADHM CCCO[N-]C(=O)/C=C(\C)c1cccs1 ZINC000857294868 588904418 /nfs/dbraw/zinc/90/44/18/588904418.db2.gz LHZNDMHYNXYXCG-CMDGGOBGSA-N -1 3 225.313 2.609 20 0 BFADHM Cc1nocc1[N-]C(=O)c1csc(C2CC2)n1 ZINC000880449649 583539138 /nfs/dbraw/zinc/53/91/38/583539138.db2.gz GVTWTMBYDWYFII-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM O=C(OCc1ccccc1)c1c([O-])cccc1F ZINC000140940432 583546342 /nfs/dbraw/zinc/54/63/42/583546342.db2.gz LVJYKMCNCZHOLK-UHFFFAOYSA-N -1 3 246.237 2.888 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Cc1cc(C)ccc1C ZINC000794871205 583623904 /nfs/dbraw/zinc/62/39/04/583623904.db2.gz QHYNHXYJLVOVAQ-NSHDSACASA-N -1 3 249.354 2.940 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Cc1cc(C)ccc1C ZINC000794871202 583623944 /nfs/dbraw/zinc/62/39/44/583623944.db2.gz QHYNHXYJLVOVAQ-LLVKDONJSA-N -1 3 249.354 2.940 20 0 BFADHM CCO[N-]C(=O)CCCc1ccc(C2CC2)cc1 ZINC000895527120 583684767 /nfs/dbraw/zinc/68/47/67/583684767.db2.gz VAUKBDZVKBWDMN-UHFFFAOYSA-N -1 3 247.338 2.954 20 0 BFADHM CC(C)(F)CNCc1cc([O-])cc(Cl)c1 ZINC000895692461 583707776 /nfs/dbraw/zinc/70/77/76/583707776.db2.gz WFNCUBJOMRUNOS-UHFFFAOYSA-N -1 3 231.698 2.883 20 0 BFADHM [O-]c1cc(Cl)cc(CN2CCC(F)CC2)c1 ZINC000895999957 583760148 /nfs/dbraw/zinc/76/01/48/583760148.db2.gz MPRGFEOZRJIWEN-UHFFFAOYSA-N -1 3 243.709 2.980 20 0 BFADHM C[C@H](N[C@@H](C)C(F)F)c1cccc([O-])c1F ZINC000883400954 583795412 /nfs/dbraw/zinc/79/54/12/583795412.db2.gz YVLKXMGILWMCLH-BQBZGAKWSA-N -1 3 233.233 2.836 20 0 BFADHM CCO[N-]C(=O)/C=C\c1ccc(SC)s1 ZINC000858261939 588941205 /nfs/dbraw/zinc/94/12/05/588941205.db2.gz DZXXANYDVWZYFU-XQRVVYSFSA-N -1 3 243.353 2.551 20 0 BFADHM CC1(Cc2nc3cccnc3c(=O)[n-]2)CCCC1 ZINC000345191102 584129322 /nfs/dbraw/zinc/12/93/22/584129322.db2.gz QKKZQQYYIJBWRB-UHFFFAOYSA-N -1 3 243.310 2.853 20 0 BFADHM C[C@H](CC(=O)[N-]Oc1ccc(F)cc1)C1CC1 ZINC000898573730 584142529 /nfs/dbraw/zinc/14/25/29/584142529.db2.gz PZYWWDFLOAYALT-SECBINFHSA-N -1 3 237.274 2.672 20 0 BFADHM O=C(CCC1CCC1)[N-]Oc1ccc(F)cc1 ZINC000898573506 584142598 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235.327 2.631 20 0 BFADHM O=C(NCC1CCC=CCC1)c1cccc([O-])c1 ZINC000886025091 592134860 /nfs/dbraw/zinc/13/48/60/592134860.db2.gz UCHJPANEEWNLCS-UHFFFAOYSA-N -1 3 245.322 2.868 20 0 BFADHM CN(CCCF)Cc1cc([O-])ccc1Cl ZINC000887142618 592459765 /nfs/dbraw/zinc/45/97/65/592459765.db2.gz SKJQEOVRLHMJID-UHFFFAOYSA-N -1 3 231.698 2.837 20 0 BFADHM O=C([O-])c1occc1CN1CCC2(CCCC2)C1 ZINC000302542819 592549365 /nfs/dbraw/zinc/54/93/65/592549365.db2.gz UCAVKJPSHYOXGW-UHFFFAOYSA-N -1 3 249.310 2.744 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@H]21 ZINC000706966212 602206871 /nfs/dbraw/zinc/20/68/71/602206871.db2.gz PADWOTWXELITAU-KXUCPTDWSA-N -1 3 235.283 2.523 20 0 BFADHM CCCCCCNc1cccc(-c2nnn[n-]2)c1 ZINC000037102039 606438456 /nfs/dbraw/zinc/43/84/56/606438456.db2.gz XALFESWPHJWOMF-UHFFFAOYSA-N -1 3 245.330 2.859 20 0 BFADHM CCCCCCNc1cccc(-c2nn[n-]n2)c1 ZINC000037102039 606438458 /nfs/dbraw/zinc/43/84/58/606438458.db2.gz XALFESWPHJWOMF-UHFFFAOYSA-N -1 3 245.330 2.859 20 0 BFADHM 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/nfs/dbraw/zinc/91/15/18/972911518.db2.gz IIMRJYPLWJLBNN-UHFFFAOYSA-N -1 3 215.243 2.511 20 0 BFADHM CC[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144663526 972927016 /nfs/dbraw/zinc/92/70/16/972927016.db2.gz GEAZFXYDFAQGKH-SECBINFHSA-N -1 3 241.281 2.902 20 0 BFADHM O=C(Nc1cc([O-])cc(Cl)c1)c1ccco1 ZINC001147096931 973431988 /nfs/dbraw/zinc/43/19/88/973431988.db2.gz YBCQCRAACKJPCV-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM c1nnc([N-]c2ccc(C3CCOCC3)cc2)o1 ZINC001212650396 974524674 /nfs/dbraw/zinc/52/46/74/974524674.db2.gz FVIXVEQEWHOOLB-UHFFFAOYSA-N -1 3 245.282 2.707 20 0 BFADHM Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccnc1 ZINC001225741792 974663427 /nfs/dbraw/zinc/66/34/27/974663427.db2.gz BZLKRSFJOXHNKK-VIFPVBQESA-N -1 3 247.323 2.609 20 0 BFADHM Cc1cnc(=S)[n-]c1O[C@H]1CCCC[C@@H]1F ZINC001225740710 974665696 /nfs/dbraw/zinc/66/56/96/974665696.db2.gz IWQVFSGCICMMEY-IUCAKERBSA-N -1 3 242.319 2.733 20 0 BFADHM Cc1c(=O)[n-]cnc1OC1CCCCCC1 ZINC001226070530 974773813 /nfs/dbraw/zinc/77/38/13/974773813.db2.gz AHDQTUCHPQTZKU-UHFFFAOYSA-N -1 3 222.288 2.592 20 0 BFADHM CC[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2C)CC1 ZINC001226077301 974779224 /nfs/dbraw/zinc/77/92/24/974779224.db2.gz QQHFLWCEYAOKOJ-XYPYZODXSA-N -1 3 236.315 2.838 20 0 BFADHM CCc1oc(CN[C@@H]2C=CCCC2)cc1C(=O)[O-] ZINC001331980084 974903657 /nfs/dbraw/zinc/90/36/57/974903657.db2.gz UVFQHGJASSMQBK-SNVBAGLBSA-N -1 3 249.310 2.739 20 0 BFADHM CCc1nc(O[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC001226472447 974920331 /nfs/dbraw/zinc/92/03/31/974920331.db2.gz HIAATBFCCKFLER-JTQLQIEISA-N -1 3 244.294 2.885 20 0 BFADHM CC(=O)c1ccc([O-])c(O[C@@H]2C=CCCC2)c1O ZINC001226483669 974923400 /nfs/dbraw/zinc/92/34/00/974923400.db2.gz YBSZPTHAYROXAW-SNVBAGLBSA-N -1 3 248.278 2.788 20 0 BFADHM CCCCC[C@H](C)Oc1cc(=O)[n-]c(C)n1 ZINC001226511399 974933307 /nfs/dbraw/zinc/93/33/07/974933307.db2.gz YQACIPRRFWXNFR-VIFPVBQESA-N -1 3 224.304 2.838 20 0 BFADHM Cc1nc(O[C@H](CC(C)C)C(C)C)cc(=O)[n-]1 ZINC001226510806 974934523 /nfs/dbraw/zinc/93/45/23/974934523.db2.gz QPCBWWOBMIIUNS-LLVKDONJSA-N -1 3 238.331 2.940 20 0 BFADHM CCC[C@H](Oc1cc(=O)[n-]cn1)[C@H](C)CC ZINC001226944737 975169571 /nfs/dbraw/zinc/16/95/71/975169571.db2.gz JCYOXTQUKQYLEK-ZJUUUORDSA-N -1 3 224.304 2.776 20 0 BFADHM CC[C@H](Oc1cc(=O)[n-]cn1)c1ccccc1F ZINC001226944000 975170408 /nfs/dbraw/zinc/17/04/08/975170408.db2.gz CASWSUHGTKJFJQ-NSHDSACASA-N -1 3 248.257 2.851 20 0 BFADHM CC[C@H](C[C@@H](C)CC)Oc1cc(=O)[n-]cn1 ZINC001226944984 975170650 /nfs/dbraw/zinc/17/06/50/975170650.db2.gz MIMLMPDZJFNKQS-VHSXEESVSA-N -1 3 224.304 2.776 20 0 BFADHM CCCCC[C@@H](CC)Oc1cc(=O)[n-]cn1 ZINC001226948042 975177781 /nfs/dbraw/zinc/17/77/81/975177781.db2.gz ZPJKJDYJPUKSTC-SNVBAGLBSA-N -1 3 224.304 2.920 20 0 BFADHM C[C@@H](CCc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093516 975265849 /nfs/dbraw/zinc/26/58/49/975265849.db2.gz NHRDTWMIIOIURV-NSHDSACASA-N -1 3 244.294 2.582 20 0 BFADHM CC[C@H]1CC[C@H](Oc2ccc(=O)[n-]n2)CC1 ZINC001227093902 975270083 /nfs/dbraw/zinc/27/00/83/975270083.db2.gz WKSRVJBERCZZBJ-MGCOHNPYSA-N -1 3 222.288 2.530 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccsc1 ZINC001173819123 975595937 /nfs/dbraw/zinc/59/59/37/975595937.db2.gz ZTSNYFCUAFLRBQ-UHFFFAOYSA-N -1 3 210.233 2.731 20 0 BFADHM Cc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1 ZINC001173801257 975663060 /nfs/dbraw/zinc/66/30/60/975663060.db2.gz AICDYTQAGFCHKO-UHFFFAOYSA-N -1 3 215.256 2.543 20 0 BFADHM Cc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001173802888 975683385 /nfs/dbraw/zinc/68/33/85/975683385.db2.gz XIJREHNJIOUKAS-UHFFFAOYSA-N -1 3 218.231 2.978 20 0 BFADHM [O-]c1cc(Nc2cccnc2)c(F)cc1F ZINC001173856232 975783190 /nfs/dbraw/zinc/78/31/90/975783190.db2.gz ZAGKCCLTGAPQQO-UHFFFAOYSA-N -1 3 222.194 2.809 20 0 BFADHM Cc1nc(Nc2c(F)cccc2F)cc(=O)[n-]1 ZINC001173858753 975797195 /nfs/dbraw/zinc/79/71/95/975797195.db2.gz DSZXWQYRECVGFV-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM CC(C)[C@@H](C)Oc1ncc(Cl)cc1[O-] ZINC001227981225 975824495 /nfs/dbraw/zinc/82/44/95/975824495.db2.gz UTWRNRAUMCFCFZ-SSDOTTSWSA-N -1 3 215.680 2.864 20 0 BFADHM C[C@H](Oc1ncc(Cl)cc1[O-])C1CC1 ZINC001227982143 975826115 /nfs/dbraw/zinc/82/61/15/975826115.db2.gz BDEDWBROKGKQBI-LURJTMIESA-N -1 3 213.664 2.618 20 0 BFADHM [O-]c1cc(F)cnc1Nc1cccc(F)c1 ZINC001173836784 975863059 /nfs/dbraw/zinc/86/30/59/975863059.db2.gz NQYWTFHRRDPRHW-UHFFFAOYSA-N -1 3 222.194 2.809 20 0 BFADHM Cc1nc(Nc2ccc(F)cc2F)cc(=O)[n-]1 ZINC001173925347 975905937 /nfs/dbraw/zinc/90/59/37/975905937.db2.gz MTURCINMTNWYGT-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM [S-]c1ccccc1Nc1ccncc1 ZINC001173882134 975935718 /nfs/dbraw/zinc/93/57/18/975935718.db2.gz ADDTUHSSLOHGQB-UHFFFAOYSA-N -1 3 202.282 2.536 20 0 BFADHM COc1ccc(Nc2cc(=O)[n-]c(C)n2)c(C)c1 ZINC001174022753 976227482 /nfs/dbraw/zinc/22/74/82/976227482.db2.gz UHANWNDOEIWIJN-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM Cc1nnc([N-]c2ccc3c(ccn3C)c2)o1 ZINC001174096687 976291171 /nfs/dbraw/zinc/29/11/71/976291171.db2.gz ZYHJYNZKDMDSRJ-UHFFFAOYSA-N -1 3 228.255 2.613 20 0 BFADHM CC[C@@H](Oc1n[n-]c(-c2ccncc2)n1)C(C)C ZINC001228699699 976438924 /nfs/dbraw/zinc/43/89/24/976438924.db2.gz JDVQUAITUTWVKL-LLVKDONJSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@H](C)[C@H](C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228699443 976442395 /nfs/dbraw/zinc/44/23/95/976442395.db2.gz FBHZBMUVRQYBPG-UWVGGRQHSA-N -1 3 246.314 2.680 20 0 BFADHM [O-]c1cc(F)c(Nc2cncc(F)c2)cc1F ZINC001174292802 976464944 /nfs/dbraw/zinc/46/49/44/976464944.db2.gz RIPUPACBJFBEGD-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM Cc1ccc(Nc2cncnc2)c(Cl)c1[O-] ZINC001174386470 976633058 /nfs/dbraw/zinc/63/30/58/976633058.db2.gz ZIQBWRCMHTVACC-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM Cc1nnc([N-]c2ccc3ccn(C)c3c2)o1 ZINC001174513129 976839115 /nfs/dbraw/zinc/83/91/15/976839115.db2.gz AMPZCCGTEQNTAR-UHFFFAOYSA-N -1 3 228.255 2.613 20 0 BFADHM CC(C)=CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001174559555 976873466 /nfs/dbraw/zinc/87/34/66/976873466.db2.gz PLAYYSXZAJFZTQ-UHFFFAOYSA-N -1 3 229.283 2.914 20 0 BFADHM Cc1nc(OC2CCCCC2)c(C)c(=O)[n-]1 ZINC001229686926 976947872 /nfs/dbraw/zinc/94/78/72/976947872.db2.gz WNNPSKQIKOYBCZ-UHFFFAOYSA-N -1 3 222.288 2.511 20 0 BFADHM Cc1nnc([N-]c2ccc3cc[nH]c3c2)o1 ZINC001174746384 977041769 /nfs/dbraw/zinc/04/17/69/977041769.db2.gz DHZAPCSBUFBPRT-UHFFFAOYSA-N -1 3 214.228 2.603 20 0 BFADHM Cc1cc(Nc2cccc([O-])c2Cl)n(C)n1 ZINC001174823076 977082425 /nfs/dbraw/zinc/08/24/25/977082425.db2.gz ABFMBFIBJLKVMP-UHFFFAOYSA-N -1 3 237.690 2.831 20 0 BFADHM CC(C)(C)c1nnc([N-]c2cccc(O)c2)o1 ZINC001174887020 977113892 /nfs/dbraw/zinc/11/38/92/977113892.db2.gz HMEJTILKPXAWKW-UHFFFAOYSA-N -1 3 233.271 2.816 20 0 BFADHM COc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1C ZINC001175012504 977210061 /nfs/dbraw/zinc/21/00/61/977210061.db2.gz CGNKELBRYUFHKA-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM COc1cc(F)cc([N-]c2nonc2C2CC2)c1 ZINC001175010128 977212500 /nfs/dbraw/zinc/21/25/00/977212500.db2.gz YWMHEYDDOCJMEF-UHFFFAOYSA-N -1 3 249.245 2.838 20 0 BFADHM CCOc1ccc(Nc2cnc[n-]c2=O)cc1C ZINC001175166551 977321346 /nfs/dbraw/zinc/32/13/46/977321346.db2.gz HHNKWFFWUSDKRK-UHFFFAOYSA-N -1 3 245.282 2.633 20 0 BFADHM CSc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001175288028 977352749 /nfs/dbraw/zinc/35/27/49/977352749.db2.gz HNMDYSFUHUEVEK-UHFFFAOYSA-N -1 3 247.323 2.956 20 0 BFADHM CCOc1cc(F)ccc1[N-]c1nnc(C)o1 ZINC001175289287 977354787 /nfs/dbraw/zinc/35/47/87/977354787.db2.gz VSYFHNWJVFTFJE-UHFFFAOYSA-N -1 3 237.234 2.659 20 0 BFADHM Cc1cncc(Nc2c(F)ccc([O-])c2F)n1 ZINC001175261517 977357853 /nfs/dbraw/zinc/35/78/53/977357853.db2.gz LKLAXKHBIXQTOP-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM Cc1conc1Nc1c(F)ccc([O-])c1F ZINC001175261202 977358142 /nfs/dbraw/zinc/35/81/42/977358142.db2.gz GHCJXVGVAVSBAJ-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM CC[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231077772 977464243 /nfs/dbraw/zinc/46/42/43/977464243.db2.gz WBRWLGTYEQAJLJ-LBPRGKRZSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@H](C)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231074341 977464807 /nfs/dbraw/zinc/46/48/07/977464807.db2.gz UAQMWSJKGYZURY-UWVGGRQHSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001231077771 977465609 /nfs/dbraw/zinc/46/56/09/977465609.db2.gz WBRWLGTYEQAJLJ-GFCCVEGCSA-N -1 3 246.314 2.680 20 0 BFADHM c1cc(OC2CCCCC2)cc(-c2nnn[n-]2)c1 ZINC001231118362 977487004 /nfs/dbraw/zinc/48/70/04/977487004.db2.gz MLQUNVDQFAZYBG-UHFFFAOYSA-N -1 3 244.298 2.578 20 0 BFADHM c1cc(OC2CCCCC2)cc(-c2nn[n-]n2)c1 ZINC001231118362 977487012 /nfs/dbraw/zinc/48/70/12/977487012.db2.gz MLQUNVDQFAZYBG-UHFFFAOYSA-N -1 3 244.298 2.578 20 0 BFADHM CCc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175550658 977525739 /nfs/dbraw/zinc/52/57/39/977525739.db2.gz DLFDIMGWTSPTTM-UHFFFAOYSA-N -1 3 247.323 2.777 20 0 BFADHM CN1CCC=C(Nc2cccc([O-])c2Cl)C1 ZINC001175580732 977604938 /nfs/dbraw/zinc/60/49/38/977604938.db2.gz RJHYJZBULYNDDM-UHFFFAOYSA-N -1 3 238.718 2.677 20 0 BFADHM Cc1cscc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001175770015 977741777 /nfs/dbraw/zinc/74/17/77/977741777.db2.gz ATPWAUBFAHDDDM-UHFFFAOYSA-N -1 3 248.307 2.605 20 0 BFADHM FC(F)(F)c1cnc([N-]c2cscn2)nc1 ZINC001175937545 977794675 /nfs/dbraw/zinc/79/46/75/977794675.db2.gz LCCUHGVQEILGAD-UHFFFAOYSA-N -1 3 246.217 2.696 20 0 BFADHM Cc1nnc([N-]c2ccc3scnc3c2)o1 ZINC001175911166 977813332 /nfs/dbraw/zinc/81/33/32/977813332.db2.gz UAYVAVSWXXJDLY-UHFFFAOYSA-N -1 3 232.268 2.731 20 0 BFADHM Cc1ncc(Nc2cccc(Cl)c2)c(=O)[n-]1 ZINC001176221766 978000402 /nfs/dbraw/zinc/00/04/02/978000402.db2.gz PWCHOGIPJAXRQY-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM c1ncc(C2CC2)cc1[N-]c1nonc1C1CC1 ZINC001176283737 978012014 /nfs/dbraw/zinc/01/20/14/978012014.db2.gz RJJCUJMDKOWFPO-UHFFFAOYSA-N -1 3 242.282 2.963 20 0 BFADHM C[C@H]1CCN(Cc2ccc(F)c([O-])c2F)C1 ZINC001232932317 978344607 /nfs/dbraw/zinc/34/46/07/978344607.db2.gz XULOUKGTJHHYRL-QMMMGPOBSA-N -1 3 227.254 2.512 20 0 BFADHM C[C@H]1CCCN1Cc1cc([O-])c(F)c(F)c1 ZINC001232968208 978370505 /nfs/dbraw/zinc/37/05/05/978370505.db2.gz FQZWWIUFWRDRQR-QMMMGPOBSA-N -1 3 227.254 2.655 20 0 BFADHM C[C@H]1CCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232970288 978375471 /nfs/dbraw/zinc/37/54/71/978375471.db2.gz IVYZBXDSFMLLMJ-QMMMGPOBSA-N -1 3 227.254 2.512 20 0 BFADHM C[C@H]1CCCCN1Cc1cc(Cl)ncc1[O-] ZINC001233033883 978418741 /nfs/dbraw/zinc/41/87/41/978418741.db2.gz VXYFUKCWYJVVAY-VIFPVBQESA-N -1 3 240.734 2.815 20 0 BFADHM [O-]c1cccc(CN2CCCC(F)(F)C2)c1F ZINC001233050765 978440736 /nfs/dbraw/zinc/44/07/36/978440736.db2.gz UYKVWAGUZXVXOF-UHFFFAOYSA-N -1 3 245.244 2.762 20 0 BFADHM Cc1cc([C@@H](C)Nc2nc(C)cc(=O)[n-]2)c(C)o1 ZINC001337755253 978485839 /nfs/dbraw/zinc/48/58/39/978485839.db2.gz ILGVVZYNXAOBEM-SECBINFHSA-N -1 3 247.298 2.874 20 0 BFADHM [S-]c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001233262691 978519330 /nfs/dbraw/zinc/51/93/30/978519330.db2.gz QLUCQOYSCIKSBN-UHFFFAOYSA-N -1 3 237.393 2.524 20 0 BFADHM [O-]c1ccc(F)c(CN2CCCC23CC3)c1F ZINC001233393420 978598977 /nfs/dbraw/zinc/59/89/77/978598977.db2.gz TXTCICMEQSGERW-UHFFFAOYSA-N -1 3 239.265 2.799 20 0 BFADHM C[C@H]1CC[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233678607 978673357 /nfs/dbraw/zinc/67/33/57/978673357.db2.gz VWENHTSPHNWPNX-UWVGGRQHSA-N -1 3 232.279 2.829 20 0 BFADHM [O-]c1cccc(OC2CC(F)(F)C2)c1F ZINC001233871402 978718791 /nfs/dbraw/zinc/71/87/91/978718791.db2.gz NAUCNZPPFPFESF-UHFFFAOYSA-N -1 3 218.174 2.708 20 0 BFADHM O=C([N-]OC1CCCC1)C12CCC(CC1)CC2 ZINC001338935657 978757172 /nfs/dbraw/zinc/75/71/72/978757172.db2.gz AKUQPGLERGQARX-UHFFFAOYSA-N -1 3 237.343 2.947 20 0 BFADHM O=C([O-])[C@H](NCCF)c1cccc2ccccc21 ZINC001601672629 978829231 /nfs/dbraw/zinc/82/92/31/978829231.db2.gz JLDXMPJOSNTMEH-CYBMUJFWSA-N -1 3 247.269 2.525 20 0 BFADHM CC[C@H](COC)Oc1c([O-])cc(Cl)cc1F ZINC001234448335 978838660 /nfs/dbraw/zinc/83/86/60/978838660.db2.gz RBROVYHKIATXRD-MRVPVSSYSA-N -1 3 248.681 2.989 20 0 BFADHM C[C@H](Oc1nc2c(cccc2[O-])[nH]1)C(F)(F)F ZINC001234448959 978839981 /nfs/dbraw/zinc/83/99/81/978839981.db2.gz CYIGNVATGOLNDZ-YFKPBYRVSA-N -1 3 246.188 2.598 20 0 BFADHM C[C@H](Oc1nc2ccsc2[n-]1)c1cnccn1 ZINC001234846980 978913755 /nfs/dbraw/zinc/91/37/55/978913755.db2.gz FYDKFLAYEFPHKO-ZETCQYMHSA-N -1 3 246.295 2.554 20 0 BFADHM c1cc2nc(OC[C@@H]3CCCCO3)[n-]c2s1 ZINC001234848827 978915589 /nfs/dbraw/zinc/91/55/89/978915589.db2.gz VYEUXKRXRPXTOS-QMMMGPOBSA-N -1 3 238.312 2.572 20 0 BFADHM c1cc2[n-]c(OC[C@@H]3CCCCO3)nc2s1 ZINC001234848827 978915595 /nfs/dbraw/zinc/91/55/95/978915595.db2.gz VYEUXKRXRPXTOS-QMMMGPOBSA-N -1 3 238.312 2.572 20 0 BFADHM CCC(=O)[C@H](CC)Oc1nc2ccsc2[n-]1 ZINC001234848425 978916809 /nfs/dbraw/zinc/91/68/09/978916809.db2.gz PMSDZSULSXHQMK-VIFPVBQESA-N -1 3 238.312 2.761 20 0 BFADHM CCC(=O)[C@@H](CC)Oc1nc2ccsc2[n-]1 ZINC001234848424 978917818 /nfs/dbraw/zinc/91/78/18/978917818.db2.gz PMSDZSULSXHQMK-SECBINFHSA-N -1 3 238.312 2.761 20 0 BFADHM C[C@@H](Oc1nc2ccsc2[n-]1)c1ncccn1 ZINC001234852417 978918654 /nfs/dbraw/zinc/91/86/54/978918654.db2.gz VXGQICHQSNNYPK-SSDOTTSWSA-N -1 3 246.295 2.554 20 0 BFADHM CC1(C)C[C@@H]1C(=O)Nc1ccc(F)c([O-])c1 ZINC001181299127 979036263 /nfs/dbraw/zinc/03/62/63/979036263.db2.gz RWYXYXPCOGIJTJ-MRVPVSSYSA-N -1 3 223.247 2.516 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ncc3c(n2)COC3)c1 ZINC001235898830 979188773 /nfs/dbraw/zinc/18/87/73/979188773.db2.gz DVARHKYTXWZBRI-UHFFFAOYSA-N -1 3 248.669 2.533 20 0 BFADHM [O-]c1cc(Cl)cc(-c2cccc3ncnn32)c1 ZINC001235904132 979199182 /nfs/dbraw/zinc/19/91/82/979199182.db2.gz OWZSKJHIHUUGAU-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM CCC1(CC)C[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001181877682 979348374 /nfs/dbraw/zinc/34/83/74/979348374.db2.gz HGICUCJGPDEJCV-SECBINFHSA-N -1 3 234.299 2.552 20 0 BFADHM O=C(Nc1cncc([O-])c1)[C@@H]1CC12CCCCC2 ZINC001181903963 979361240 /nfs/dbraw/zinc/36/12/40/979361240.db2.gz QATYLQSSBSPKNN-LBPRGKRZSA-N -1 3 246.310 2.696 20 0 BFADHM CC(C)=CCOc1cc(-c2nnn[n-]2)ccc1C ZINC001603186058 979401228 /nfs/dbraw/zinc/40/12/28/979401228.db2.gz DVCBKZVHNWKSKV-UHFFFAOYSA-N -1 3 244.298 2.520 20 0 BFADHM CC(C)=CCOc1cc(-c2nn[n-]n2)ccc1C ZINC001603186058 979401233 /nfs/dbraw/zinc/40/12/33/979401233.db2.gz DVCBKZVHNWKSKV-UHFFFAOYSA-N -1 3 244.298 2.520 20 0 BFADHM Cc1ccc(Nc2ncc(F)cc2[O-])c(C)n1 ZINC001203370384 979471826 /nfs/dbraw/zinc/47/18/26/979471826.db2.gz KZNKEXIEIHERAW-UHFFFAOYSA-N -1 3 233.246 2.682 20 0 BFADHM Cc1cc(CC(=O)OC(C)C)cc(Cl)c1[O-] ZINC001250088730 979630462 /nfs/dbraw/zinc/63/04/62/979630462.db2.gz RJJLEWXNEDTLAK-UHFFFAOYSA-N -1 3 242.702 2.848 20 0 BFADHM CC(C)Oc1cc(-c2ccc(=S)[n-]n2)ccn1 ZINC001236559750 979635600 /nfs/dbraw/zinc/63/56/00/979635600.db2.gz PIYBZJRFJQYGEE-UHFFFAOYSA-N -1 3 247.323 2.615 20 0 BFADHM Cc1oc(CN2CC(C)=C[C@@H](C)C2)cc1C(=O)[O-] ZINC001604614969 979682911 /nfs/dbraw/zinc/68/29/11/979682911.db2.gz AFKMZJRQOLHLBL-SECBINFHSA-N -1 3 249.310 2.684 20 0 BFADHM C[C@]1(F)CCCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236702568 979697167 /nfs/dbraw/zinc/69/71/67/979697167.db2.gz KCLMKBNMCIGGPP-ZDUSSCGKSA-N -1 3 241.281 2.855 20 0 BFADHM [O-]c1cccc(C[C@@H]2CCCO2)c1Cl ZINC001250106257 979778476 /nfs/dbraw/zinc/77/84/76/979778476.db2.gz SMFVWEJDWYXBRO-VIFPVBQESA-N -1 3 212.676 2.767 20 0 BFADHM C[C@H]1c2cccn2CCN1Cc1occc1[S-] ZINC001237183948 979837445 /nfs/dbraw/zinc/83/74/45/979837445.db2.gz NPEQNPMKAFXEEV-JTQLQIEISA-N -1 3 248.351 2.947 20 0 BFADHM CC(C)(CC1CCC1)C(=O)Nc1ncccc1[O-] ZINC001183893442 979899647 /nfs/dbraw/zinc/89/96/47/979899647.db2.gz JXLAGYYBVBWAPZ-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM CC(C)(CC1CCC1)C(=O)Nc1cncc([O-])c1 ZINC001183909708 979905872 /nfs/dbraw/zinc/90/58/72/979905872.db2.gz MAPVVLVQBUACRM-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM COc1cccc(-c2ccc(=S)[n-]n2)c1C ZINC001238981553 980406833 /nfs/dbraw/zinc/40/68/33/980406833.db2.gz HGMPRJBMWJBGPK-UHFFFAOYSA-N -1 3 232.308 2.749 20 0 BFADHM Cc1ccc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001239468558 980597927 /nfs/dbraw/zinc/59/79/27/980597927.db2.gz VZVRCQSPHHIYKG-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM Cc1ccc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC001239468558 980597931 /nfs/dbraw/zinc/59/79/31/980597931.db2.gz VZVRCQSPHHIYKG-UHFFFAOYSA-N -1 3 236.278 2.842 20 0 BFADHM Fc1ccc(-c2nnn[n-]2)cc1-c1ccsc1 ZINC001239511482 980681700 /nfs/dbraw/zinc/68/17/00/980681700.db2.gz OZXMFIJBAJFWSF-UHFFFAOYSA-N -1 3 246.270 2.734 20 0 BFADHM Fc1ccc(-c2nn[n-]n2)cc1-c1ccsc1 ZINC001239511482 980681704 /nfs/dbraw/zinc/68/17/04/980681704.db2.gz OZXMFIJBAJFWSF-UHFFFAOYSA-N -1 3 246.270 2.734 20 0 BFADHM Fc1cc(-c2ccsc2)cc(-c2nnn[n-]2)c1 ZINC001239511805 980683318 /nfs/dbraw/zinc/68/33/18/980683318.db2.gz BBPYIDVVDLNWBU-UHFFFAOYSA-N -1 3 246.270 2.734 20 0 BFADHM Fc1cc(-c2ccsc2)cc(-c2nn[n-]n2)c1 ZINC001239511805 980683321 /nfs/dbraw/zinc/68/33/21/980683321.db2.gz BBPYIDVVDLNWBU-UHFFFAOYSA-N -1 3 246.270 2.734 20 0 BFADHM [O-]c1cccc(Cc2ccccn2)c1F ZINC001250321831 980768138 /nfs/dbraw/zinc/76/81/38/980768138.db2.gz LWGVJNYVKOBKKQ-UHFFFAOYSA-N -1 3 203.216 2.517 20 0 BFADHM O=C([N-]c1cc2ccccc2s1)c1ncon1 ZINC001192015138 981116491 /nfs/dbraw/zinc/11/64/91/981116491.db2.gz FIIZYGZKSTUKTG-UHFFFAOYSA-N -1 3 245.263 2.537 20 0 BFADHM CC(C)(C)c1ccc(C(=O)N2CC=CC2)c([O-])c1 ZINC001192314415 981141820 /nfs/dbraw/zinc/14/18/20/981141820.db2.gz OWQKTXGIDIEFEV-UHFFFAOYSA-N -1 3 245.322 2.702 20 0 BFADHM [O-]c1cccc(F)c1-c1cccnc1F ZINC001250486358 981181391 /nfs/dbraw/zinc/18/13/91/981181391.db2.gz HUXNOTFZQMBSAZ-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCCCCNC(=O)Nc1ccc(F)c([O-])c1 ZINC001193326503 981291407 /nfs/dbraw/zinc/29/14/07/981291407.db2.gz UHISRWGYEPXIBH-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM Cc1cc(=O)[n-]c(N[C@H](C)c2ccsc2)n1 ZINC001348158728 981302641 /nfs/dbraw/zinc/30/26/41/981302641.db2.gz LXRVYCIGPCNBTJ-MRVPVSSYSA-N -1 3 235.312 2.725 20 0 BFADHM Cc1cc([N-]C(=O)c2nc(C3CC3)cs2)no1 ZINC001348452942 981365901 /nfs/dbraw/zinc/36/59/01/981365901.db2.gz QJIUJNJVHNUOCB-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1sccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001240500882 981427413 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YSJAVSBZMCPXCI-UHFFFAOYSA-N -1 3 249.241 2.576 20 0 BFADHM [O-]c1ccc(-c2cc3nccnc3cn2)cc1F ZINC001240782714 981820122 /nfs/dbraw/zinc/82/01/22/981820122.db2.gz FDOOZBFUKALXMX-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM Nc1ccc(-c2ccc([O-])c(F)c2)c(F)c1 ZINC001240786186 981827584 /nfs/dbraw/zinc/82/75/84/981827584.db2.gz ACWLRHPAZGQKCH-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM Nc1ccccc1-c1ccc([O-])c(F)c1 ZINC001240788049 981832973 /nfs/dbraw/zinc/83/29/73/981832973.db2.gz XRWOAHBJQGBQGM-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM C=Cc1ncc(-c2ccc([O-])c(F)c2)cn1 ZINC001240788981 981836087 /nfs/dbraw/zinc/83/60/87/981836087.db2.gz NRPFHIFFIKKYBP-UHFFFAOYSA-N -1 3 216.215 2.631 20 0 BFADHM CC[C@@H]1CCCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001350018584 981849843 /nfs/dbraw/zinc/84/98/43/981849843.db2.gz OWRRGTMSVKJNFJ-RKDXNWHRSA-N -1 3 237.265 2.881 20 0 BFADHM [O-]c1ccccc1-c1nccnc1OC1CCC1 ZINC001241008383 982094146 /nfs/dbraw/zinc/09/41/46/982094146.db2.gz FRXHEXXVYMCLEA-UHFFFAOYSA-N -1 3 242.278 2.781 20 0 BFADHM Cc1nc2c(c(-c3ccccc3[O-])n1)CCC2 ZINC001241007628 982096283 /nfs/dbraw/zinc/09/62/83/982096283.db2.gz FRTQASHSSOSBKZ-UHFFFAOYSA-N -1 3 226.279 2.646 20 0 BFADHM CCOc1cccnc1-c1ccccc1[O-] ZINC001241009485 982100226 /nfs/dbraw/zinc/10/02/26/982100226.db2.gz RREIOTUDLJQJDE-UHFFFAOYSA-N -1 3 215.252 2.853 20 0 BFADHM [O-]c1ccccc1-c1nncc2ccoc21 ZINC001241009848 982104814 /nfs/dbraw/zinc/10/48/14/982104814.db2.gz ZQLUCQXXCKBDMC-UHFFFAOYSA-N -1 3 212.208 2.595 20 0 BFADHM CSc1cnc(-c2ccccc2[O-])cn1 ZINC001241014764 982108345 /nfs/dbraw/zinc/10/83/45/982108345.db2.gz MUJQSYIJOUBILQ-UHFFFAOYSA-N -1 3 218.281 2.571 20 0 BFADHM [O-]c1ccccc1-c1cnc(OCC2CC2)cn1 ZINC001241022612 982116806 /nfs/dbraw/zinc/11/68/06/982116806.db2.gz DIFURZUZCANZTK-UHFFFAOYSA-N -1 3 242.278 2.638 20 0 BFADHM CCOc1nccnc1-c1ccc(C)cc1[O-] ZINC001241036280 982137575 /nfs/dbraw/zinc/13/75/75/982137575.db2.gz TUEPGDGSPMZUNM-UHFFFAOYSA-N -1 3 230.267 2.556 20 0 BFADHM Cc1noc2ncnc(-c3ccc(C)cc3[O-])c12 ZINC001241036134 982138566 /nfs/dbraw/zinc/13/85/66/982138566.db2.gz OWEAJAULTCBHAL-UHFFFAOYSA-N -1 3 241.250 2.607 20 0 BFADHM Cc1ccc(-c2cc(C)c(C)nn2)c([O-])c1 ZINC001241036499 982139272 /nfs/dbraw/zinc/13/92/72/982139272.db2.gz YFFIMINXTOEGFM-UHFFFAOYSA-N -1 3 214.268 2.774 20 0 BFADHM CC(=O)Nc1cccnc1-c1ccc(C)cc1[O-] ZINC001241043398 982145920 /nfs/dbraw/zinc/14/59/20/982145920.db2.gz LPCXZZVZIUHMEQ-UHFFFAOYSA-N -1 3 242.278 2.721 20 0 BFADHM COc1ccc(F)nc1-c1ccc(C)cc1[O-] ZINC001241051332 982154102 /nfs/dbraw/zinc/15/41/02/982154102.db2.gz RDAPTKNAAXLEHH-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM CC(=O)c1ccccc1-c1ccc(=S)[n-]n1 ZINC001241206076 982354771 /nfs/dbraw/zinc/35/47/71/982354771.db2.gz ZQSGGHZLOFNUJS-UHFFFAOYSA-N -1 3 230.292 2.635 20 0 BFADHM [O-]c1cc(F)cc(-c2ncccc2F)c1 ZINC001241257346 982394578 /nfs/dbraw/zinc/39/45/78/982394578.db2.gz JHYONBBYMJSMAH-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM Cc1cc(C)c(-c2cc([O-])cc(F)c2)nn1 ZINC001241256199 982394970 /nfs/dbraw/zinc/39/49/70/982394970.db2.gz PQSBZUBILIPDBH-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM COc1cccc(-c2cc([O-])cc(F)c2)n1 ZINC001241257030 982395360 /nfs/dbraw/zinc/39/53/60/982395360.db2.gz FJUXNWVVLDPJME-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM [O-]c1cc(F)cc(-c2nncc3ccoc32)c1 ZINC001241262234 982397441 /nfs/dbraw/zinc/39/74/41/982397441.db2.gz YASUUEDSXANSQW-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM COc1ccnc(-c2cc([O-])cc(F)c2)c1F ZINC001241261216 982397760 /nfs/dbraw/zinc/39/77/60/982397760.db2.gz HSQRFADXVLQFNJ-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1cc(F)cc(-c2cc3c(nn2)CCCC3)c1 ZINC001241261864 982398272 /nfs/dbraw/zinc/39/82/72/982398272.db2.gz SNNNSDXQZTZROO-UHFFFAOYSA-N -1 3 244.269 2.867 20 0 BFADHM COc1ccc(-c2cc([O-])cc(F)c2)nc1F ZINC001241272713 982404837 /nfs/dbraw/zinc/40/48/37/982404837.db2.gz XIVCWPJLASUIAB-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Nc1ccc(-c2cc([O-])cc(F)c2)cc1 ZINC001241277642 982408352 /nfs/dbraw/zinc/40/83/52/982408352.db2.gz NJQGDYWJYIYPOK-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM CN(C)c1ncccc1-c1cc([O-])cc(F)c1 ZINC001241277624 982408528 /nfs/dbraw/zinc/40/85/28/982408528.db2.gz MZSKGONEACSNBG-UHFFFAOYSA-N -1 3 232.258 2.659 20 0 BFADHM CNc1cc(-c2c(F)ccc([O-])c2F)ccn1 ZINC001241294072 982437352 /nfs/dbraw/zinc/43/73/52/982437352.db2.gz JYNVGZWXRMUGLT-UHFFFAOYSA-N -1 3 236.221 2.774 20 0 BFADHM Nc1cccc(-c2c(F)ccc([O-])c2F)c1 ZINC001241294396 982438187 /nfs/dbraw/zinc/43/81/87/982438187.db2.gz UPLMLOUQYBEHRQ-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM CN1CC=C(c2ccc3oc(=S)[n-]c3c2)CC1 ZINC001241321997 982481111 /nfs/dbraw/zinc/48/11/11/982481111.db2.gz GANOMBABYRQHKS-UHFFFAOYSA-N -1 3 246.335 2.835 20 0 BFADHM CN1CCC=C(c2cc(F)ccc2[S-])C1 ZINC001241570029 982819986 /nfs/dbraw/zinc/81/99/86/982819986.db2.gz FPDJIUMXOVVNAF-UHFFFAOYSA-N -1 3 223.316 2.833 20 0 BFADHM CC(C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001589762292 982881186 /nfs/dbraw/zinc/88/11/86/982881186.db2.gz 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248.355 2.900 20 0 BFADHM CCCCSCc1cccc(-c2nn[n-]n2)c1 ZINC001590613284 982961975 /nfs/dbraw/zinc/96/19/75/982961975.db2.gz XWGCDPYJWBXNOU-UHFFFAOYSA-N -1 3 248.355 2.900 20 0 BFADHM Cc1cscc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241729678 983016393 /nfs/dbraw/zinc/01/63/93/983016393.db2.gz QHNKRJDOWALYCK-UHFFFAOYSA-N -1 3 242.307 2.904 20 0 BFADHM Cc1cscc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241729678 983016402 /nfs/dbraw/zinc/01/64/02/983016402.db2.gz QHNKRJDOWALYCK-UHFFFAOYSA-N -1 3 242.307 2.904 20 0 BFADHM Cc1cc(-c2nnn[n-]2)ccc1CSC(C)C ZINC001591866780 983101212 /nfs/dbraw/zinc/10/12/12/983101212.db2.gz MGXYBCDEBDSLOQ-UHFFFAOYSA-N -1 3 248.355 2.817 20 0 BFADHM Cc1cc(-c2nn[n-]n2)ccc1CSC(C)C ZINC001591866780 983101218 /nfs/dbraw/zinc/10/12/18/983101218.db2.gz MGXYBCDEBDSLOQ-UHFFFAOYSA-N -1 3 248.355 2.817 20 0 BFADHM Cc1cn(CCCC(C)(C)C)cc1-c1nnn[n-]1 ZINC001592287583 983134443 /nfs/dbraw/zinc/13/44/43/983134443.db2.gz QZACMBUIJYGCQC-UHFFFAOYSA-N -1 3 247.346 2.803 20 0 BFADHM 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236.271 2.710 20 0 BFADHM CC(C)Oc1cnc(-c2ccc(F)c([O-])c2)cn1 ZINC001243054253 984419688 /nfs/dbraw/zinc/41/96/88/984419688.db2.gz LNCPOPHHYHEFSR-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM CCc1cc(-c2ccc(F)c([O-])c2)nc(C)n1 ZINC001243055017 984421134 /nfs/dbraw/zinc/42/11/34/984421134.db2.gz YVDZWDYWOXOXTD-UHFFFAOYSA-N -1 3 232.258 2.859 20 0 BFADHM [O-]c1cc(-c2cc3cncnc3cn2)ccc1F ZINC001243054776 984424884 /nfs/dbraw/zinc/42/48/84/984424884.db2.gz SEGMJFZALYHSFZ-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1cc(-c2cncc3ncoc32)ccc1F ZINC001243064113 984459091 /nfs/dbraw/zinc/45/90/91/984459091.db2.gz ZYJPQQUAYQEYHO-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM CCCONC(=O)c1cc([O-])c2ccccc2c1 ZINC001452280327 984933868 /nfs/dbraw/zinc/93/38/68/984933868.db2.gz DZOWFSDIHZYBKO-UHFFFAOYSA-N -1 3 245.278 2.617 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@@H]2C=CCC2)c([O-])c1 ZINC001452986464 984975841 /nfs/dbraw/zinc/97/58/41/984975841.db2.gz DQSBPESRHXKTLM-GFCCVEGCSA-N -1 3 245.322 2.964 20 0 BFADHM 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985092002 /nfs/dbraw/zinc/09/20/02/985092002.db2.gz HCNMCCZVJBUMHL-UHFFFAOYSA-N -1 3 232.258 2.914 20 0 BFADHM Nc1ccc(-c2cccc([O-])c2F)cc1 ZINC001243546605 985092638 /nfs/dbraw/zinc/09/26/38/985092638.db2.gz AMUNYZOZXIIJTR-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM COc1nccc(-c2cccc([O-])c2F)c1C ZINC001243546671 985094338 /nfs/dbraw/zinc/09/43/38/985094338.db2.gz CCSUZFXCNUBOPW-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM CCCOc1nccnc1-c1cccc([O-])c1F ZINC001243546135 985094578 /nfs/dbraw/zinc/09/45/78/985094578.db2.gz KHPAREYBIMAMOY-UHFFFAOYSA-N -1 3 248.257 2.777 20 0 BFADHM [O-]c1cccc(-c2ccc3nonc3c2)c1F ZINC001243546429 985094851 /nfs/dbraw/zinc/09/48/51/985094851.db2.gz HEZVJRQNTFUNHJ-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM COc1cc(-c2cccc([O-])c2F)c(F)cn1 ZINC001243548121 985099203 /nfs/dbraw/zinc/09/92/03/985099203.db2.gz ZVIVIYSYSPOLDV-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1cccc(-c2c(F)ccnc2F)c1F ZINC001243547198 985099495 /nfs/dbraw/zinc/09/94/95/985099495.db2.gz 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342885518 /nfs/dbraw/zinc/88/55/18/342885518.db2.gz VHGZVHBIUQTESG-UHFFFAOYSA-N -1 3 243.734 2.560 20 0 BFADHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000233466082 342905171 /nfs/dbraw/zinc/90/51/71/342905171.db2.gz ZJFVFFQMLWEJMM-UHFFFAOYSA-N -1 3 237.274 2.508 20 0 BFADHM CCn1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000634584701 342901099 /nfs/dbraw/zinc/90/10/99/342901099.db2.gz KOWBAXDUPIFCNV-GFCCVEGCSA-N -1 3 230.311 2.525 20 0 BFADHM CCn1[n-]c(-c2ccccc2)c(C(C)C)c1=O ZINC000634584702 342901156 /nfs/dbraw/zinc/90/11/56/342901156.db2.gz KOWBAXDUPIFCNV-LBPRGKRZSA-N -1 3 230.311 2.525 20 0 BFADHM CCc1c(=O)n(CC)[n-]c1-c1cccc(C)c1 ZINC000634584834 342901601 /nfs/dbraw/zinc/90/16/01/342901601.db2.gz OIDSZBJSUUVVDE-LBPRGKRZSA-N -1 3 230.311 2.587 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C1CCC1 ZINC000234282272 342919809 /nfs/dbraw/zinc/91/98/09/342919809.db2.gz RBCXXOCBWQSIHW-UHFFFAOYSA-N -1 3 237.274 2.508 20 0 BFADHM Cc1ccc(Cn2[n-]c3c(c2=O)[C@H](C)CC3)cc1 ZINC000634589008 342935224 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/nfs/dbraw/zinc/27/21/71/136272171.db2.gz KINIHLDWKNIBDK-UWVGGRQHSA-N -1 3 239.340 2.667 20 0 BFADHM CC1(C)CCCN(c2ccncc2C(=O)[O-])CC1 ZINC000126266459 343169813 /nfs/dbraw/zinc/16/98/13/343169813.db2.gz IWZFDKNGQUGZLX-UHFFFAOYSA-N -1 3 248.326 2.796 20 0 BFADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000088302072 259353588 /nfs/dbraw/zinc/35/35/88/259353588.db2.gz HYVMUJYZWXIDMK-GHMZBOCLSA-N -1 3 235.327 2.947 20 0 BFADHM CO[N-]C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000034564947 343275138 /nfs/dbraw/zinc/27/51/38/343275138.db2.gz HTHWLPKRZXCPPP-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM O=[S@](CC1CC(F)(F)C1)c1cccc([O-])c1 ZINC000335648067 136304265 /nfs/dbraw/zinc/30/42/65/136304265.db2.gz SAMQEGFALLLEET-MRXNPFEDSA-N -1 3 246.278 2.545 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000134989755 343352163 /nfs/dbraw/zinc/35/21/63/343352163.db2.gz XVDBILXXJMNWIW-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(NC(=O)C[C@H]2C[C@@H]2C)c([O-])c1 ZINC000335673458 136317493 /nfs/dbraw/zinc/31/74/93/136317493.db2.gz IKWVSECLESTISU-VHSXEESVSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1csc2[n-]c(-c3cscn3)nc(=O)c12 ZINC000348991660 136314018 /nfs/dbraw/zinc/31/40/18/136314018.db2.gz CIDCQEVSIQVDHU-UHFFFAOYSA-N -1 3 249.320 2.829 20 0 BFADHM CCCCN(C(=O)c1cccc([O-])c1)C1CC1 ZINC000042491133 343440029 /nfs/dbraw/zinc/44/00/29/343440029.db2.gz ULTRFROBXXQAGF-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM CO[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000041909758 343425618 /nfs/dbraw/zinc/42/56/18/343425618.db2.gz INNMUOAXJFKAAA-UHFFFAOYSA-N -1 3 235.327 2.594 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)c([O-])c1 ZINC000335705290 136335868 /nfs/dbraw/zinc/33/58/68/136335868.db2.gz ZTDXZFWYILXUBN-XCBNKYQSSA-N -1 3 241.237 2.540 20 0 BFADHM CCc1nsc(Sc2ccc([O-])cc2)n1 ZINC000083671328 343495079 /nfs/dbraw/zinc/49/50/79/343495079.db2.gz KXFVYAQQIAMDGB-UHFFFAOYSA-N -1 3 238.337 2.957 20 0 BFADHM CC[C@@H](NC(=O)c1c(C)cccc1[O-])C(C)C ZINC000624594007 344044139 /nfs/dbraw/zinc/04/41/39/344044139.db2.gz KPSUGZYUIJCATP-LLVKDONJSA-N -1 3 235.327 2.865 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000625716623 344054908 /nfs/dbraw/zinc/05/49/08/344054908.db2.gz LPEHXZIJQRTTDV-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM O=C([N-]c1cnoc1)c1cc2occc2s1 ZINC000605459873 344103959 /nfs/dbraw/zinc/10/39/59/344103959.db2.gz ODIPZCGHVOZKEU-UHFFFAOYSA-N -1 3 234.236 2.735 20 0 BFADHM CCCCO[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000068541598 362347012 /nfs/dbraw/zinc/34/70/12/362347012.db2.gz HADJTJKRLPLWCJ-SNVBAGLBSA-N -1 3 237.299 2.536 20 0 BFADHM Cc1cccc(C(=O)NC2CC(C)(C)C2)c1[O-] ZINC000395431007 344291792 /nfs/dbraw/zinc/29/17/92/344291792.db2.gz LHYFHYRIBJURAV-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000625939963 344575030 /nfs/dbraw/zinc/57/50/30/344575030.db2.gz XLRHNIPTUXKEAS-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@H]1C ZINC000625986823 344652467 /nfs/dbraw/zinc/65/24/67/344652467.db2.gz VIZDWMDBUSWWPU-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000248692287 537854529 /nfs/dbraw/zinc/85/45/29/537854529.db2.gz BJSSDKNWAYQUKY-FOGDFJRCSA-N -1 3 245.322 2.888 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000626032484 344684236 /nfs/dbraw/zinc/68/42/36/344684236.db2.gz HXKRQVOYEMOZJO-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626057760 344706214 /nfs/dbraw/zinc/70/62/14/344706214.db2.gz ASWJMUAKKBXTMP-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM CCc1cc(C(=O)NCC2CC(C)C2)ccc1[O-] ZINC000623040259 347080381 /nfs/dbraw/zinc/08/03/81/347080381.db2.gz QKGQSEFIFRCZSL-UHFFFAOYSA-N -1 3 247.338 2.731 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)CC(C)(C)C)c1 ZINC000045089486 178784098 /nfs/dbraw/zinc/78/40/98/178784098.db2.gz GCVCTMATQRRTRN-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@H]32)c1 ZINC000367764579 178785699 /nfs/dbraw/zinc/78/56/99/178785699.db2.gz CWJUFGVQFWFSSP-DGCLKSJQSA-N -1 3 245.322 2.715 20 0 BFADHM CC[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000136275299 345495530 /nfs/dbraw/zinc/49/55/30/345495530.db2.gz CHDUUICWUZLEQG-MWLCHTKSSA-N -1 3 237.299 2.741 20 0 BFADHM Cc1occc1CN(C)Cc1nc(C)ccc1[O-] ZINC000092438507 345619822 /nfs/dbraw/zinc/61/98/22/345619822.db2.gz HSMUTRNQQMZQSB-UHFFFAOYSA-N -1 3 246.310 2.629 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccc(F)c2)n1 ZINC000167917146 345723204 /nfs/dbraw/zinc/72/32/04/345723204.db2.gz YYLVRAYYCJTHKB-WAYWQWQTSA-N -1 3 230.242 2.800 20 0 BFADHM O=C([O-])c1ccc(Cl)c(CN2CCCC2)c1 ZINC000211252656 345737420 /nfs/dbraw/zinc/73/74/20/345737420.db2.gz DKDRHLZQFFPNOO-UHFFFAOYSA-N -1 3 239.702 2.634 20 0 BFADHM C[C@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000082879752 345789482 /nfs/dbraw/zinc/78/94/82/345789482.db2.gz QHGWZPZSMFTOBU-POYBYMJQSA-N -1 3 225.675 2.640 20 0 BFADHM Cc1cccc(C(=O)N(C)Cc2ccoc2)c1[O-] ZINC000042356207 179005200 /nfs/dbraw/zinc/00/52/00/179005200.db2.gz ZIGFDGMOLKROMJ-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM Cc1cccc(C(=O)N(CC(C)C)C2CC2)c1[O-] ZINC000047846325 179006131 /nfs/dbraw/zinc/00/61/31/179006131.db2.gz WLPCNMAXNBJCQI-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N(CC2CC2)C(C)C)c1[O-] ZINC000048185959 179006281 /nfs/dbraw/zinc/00/62/81/179006281.db2.gz KFRXTDBWPYFIQQ-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C)c1[O-] ZINC000050566643 179008834 /nfs/dbraw/zinc/00/88/34/179008834.db2.gz BZBYOTOCUROLIM-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM CN(C[C@@H]1CC1(C)C)C(=O)c1ccccc1[O-] ZINC000621054929 346606865 /nfs/dbraw/zinc/60/68/65/346606865.db2.gz TVGIIJWELUDHEQ-JTQLQIEISA-N -1 3 233.311 2.510 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccc(F)c2)n1 ZINC000167916802 346720816 /nfs/dbraw/zinc/72/08/16/346720816.db2.gz YYLVRAYYCJTHKB-AATRIKPKSA-N -1 3 230.242 2.800 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CCC(F)(F)F ZINC000272542099 179160424 /nfs/dbraw/zinc/16/04/24/179160424.db2.gz RWJADPRRKUFIGH-UHFFFAOYSA-N -1 3 247.216 2.982 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CC[C@H]1CCCO1 ZINC000271389405 179160578 /nfs/dbraw/zinc/16/05/78/179160578.db2.gz VDCIVVGAVYHVNP-LLVKDONJSA-N -1 3 249.310 2.598 20 0 BFADHM CC[C@@H](SC)C(=O)Nc1c(C)cccc1[O-] ZINC000183025906 347116739 /nfs/dbraw/zinc/11/67/39/347116739.db2.gz PFUWLZZQSXZWAQ-SNVBAGLBSA-N -1 3 239.340 2.781 20 0 BFADHM CCCCCNC(=O)c1ccc(C)cc1[O-] ZINC000019838000 347293796 /nfs/dbraw/zinc/29/37/96/347293796.db2.gz DPEYJKZFEQEADU-UHFFFAOYSA-N -1 3 221.300 2.621 20 0 BFADHM Cc1cc(C(=O)NCCC(C)(C)F)ccc1[O-] ZINC000618410510 347411281 /nfs/dbraw/zinc/41/12/81/347411281.db2.gz UBISUPZEXVTCAQ-UHFFFAOYSA-N -1 3 239.290 2.569 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000571529524 323146992 /nfs/dbraw/zinc/14/69/92/323146992.db2.gz LZRGRLMEQGQDDY-UHFFFAOYSA-N -1 3 239.702 2.632 20 0 BFADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000356733856 187377660 /nfs/dbraw/zinc/37/76/60/187377660.db2.gz UNHKVKPHFCTVBP-QWRGUYRKSA-N -1 3 248.326 2.942 20 0 BFADHM C[C@H](CC(=O)Nc1ccccc1[O-])n1cccc1 ZINC000591094281 347618153 /nfs/dbraw/zinc/61/81/53/347618153.db2.gz GOEYPVPNXLLKBY-LLVKDONJSA-N -1 3 244.294 2.784 20 0 BFADHM Cc1ccccc1NC(=O)[N-]OCC(C)C ZINC000039793145 179300861 /nfs/dbraw/zinc/30/08/61/179300861.db2.gz JAYNNOPHCRISTI-UHFFFAOYSA-N -1 3 222.288 2.704 20 0 BFADHM CC1(C)CCCN(Cc2occc2C(=O)[O-])C1 ZINC000070259326 349984170 /nfs/dbraw/zinc/98/41/70/349984170.db2.gz AEVDGHIXWDBLBT-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM CCc1cccc(C(=O)N2CC3CC2(C)C3)c1[O-] ZINC000621215863 348443467 /nfs/dbraw/zinc/44/34/67/348443467.db2.gz WCESSJVEOYIPJI-UHFFFAOYSA-N -1 3 245.322 2.579 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCCCC2CC2)c1 ZINC000605888816 348664280 /nfs/dbraw/zinc/66/42/80/348664280.db2.gz VRMTWLZMSHLCIB-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CS[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000597855373 348827124 /nfs/dbraw/zinc/82/71/24/348827124.db2.gz AKIBZMRBEZKPHL-ZCFIWIBFSA-N -1 3 245.731 2.736 20 0 BFADHM CCc1cccc(C(=O)N[C@@]23C[C@@H]2CCC3)c1[O-] ZINC000617211545 350381085 /nfs/dbraw/zinc/38/10/85/350381085.db2.gz LXZFNQSZQWKJQL-NHYWBVRUSA-N -1 3 245.322 2.627 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1Cc1ccoc1C(=O)[O-] ZINC000580336224 350508757 /nfs/dbraw/zinc/50/87/57/350508757.db2.gz CYBVLIVFTURRMG-SNVBAGLBSA-N -1 3 249.310 2.742 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000232385367 350659354 /nfs/dbraw/zinc/65/93/54/350659354.db2.gz BLWYGXWVYWZSLR-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM CCC[C@H](C(=O)[O-])N(C)Cc1sccc1C ZINC000383721439 350834845 /nfs/dbraw/zinc/83/48/45/350834845.db2.gz KDHAQYFBNSGVNW-SNVBAGLBSA-N -1 3 241.356 2.742 20 0 BFADHM C=C(C)CN(CC)Cc1cc(C(=O)[O-])c(C)o1 ZINC000382502800 350848719 /nfs/dbraw/zinc/84/87/19/350848719.db2.gz RPRKHHFZHRDINN-UHFFFAOYSA-N -1 3 237.299 2.684 20 0 BFADHM CC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956054 351362132 /nfs/dbraw/zinc/36/21/32/351362132.db2.gz PNRRKQONICNZPQ-UHFFFAOYSA-N -1 3 218.256 2.740 20 0 BFADHM CN(C(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000336007027 538102382 /nfs/dbraw/zinc/10/23/82/538102382.db2.gz HFTMKVGCROTKLR-UHFFFAOYSA-N -1 3 241.290 2.780 20 0 BFADHM O=C(Nc1ccccc1[O-])c1conc1C1CC1 ZINC000334369696 353017702 /nfs/dbraw/zinc/01/77/02/353017702.db2.gz NRXIAWXXANSHOC-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM Cc1ccc(NC(=O)/C=C/C2CC2)c([O-])c1 ZINC000253464620 188192915 /nfs/dbraw/zinc/19/29/15/188192915.db2.gz RXLSVQQINRKAFZ-FNORWQNLSA-N -1 3 217.268 2.605 20 0 BFADHM CC(C)[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000043430142 188216975 /nfs/dbraw/zinc/21/69/75/188216975.db2.gz XIRBEWHGHMIESB-ZDUSSCGKSA-N -1 3 247.294 2.632 20 0 BFADHM Cc1ccc(CCC(=O)[N-]OCC(C)C)s1 ZINC000291431882 188211448 /nfs/dbraw/zinc/21/14/48/188211448.db2.gz ZVHRGZNHUIFGCB-UHFFFAOYSA-N -1 3 241.356 2.693 20 0 BFADHM CCC(C)(CC)C(=O)Nc1ncccc1[O-] ZINC000135560474 538115515 /nfs/dbraw/zinc/11/55/15/538115515.db2.gz TYNXFTGXDWMEOL-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM O=C(NC1CCCCCC1)c1ccc(O)cc1[O-] ZINC000192828146 353569815 /nfs/dbraw/zinc/56/98/15/353569815.db2.gz NTTMWPDRFUVDBH-UHFFFAOYSA-N -1 3 249.310 2.550 20 0 BFADHM CC[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000037915237 358480126 /nfs/dbraw/zinc/48/01/26/358480126.db2.gz QWPODKFJDYHBCQ-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM C[C@H]1C[C@H]1c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000334534682 353914766 /nfs/dbraw/zinc/91/47/66/353914766.db2.gz VJUBEEANJJKQLU-IONNQARKSA-N -1 3 248.257 2.629 20 0 BFADHM Cc1cc(C(=O)[N-]c2ccsc2Cl)on1 ZINC000334606664 354313058 /nfs/dbraw/zinc/31/30/58/354313058.db2.gz JGZFPBVARZMELG-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CCn1c(SC[C@@H](C)CC(C)C)n[n-]c1=O ZINC000345362011 354632380 /nfs/dbraw/zinc/63/23/80/354632380.db2.gz BUJNWMLEVVUPMT-VIFPVBQESA-N -1 3 243.376 2.778 20 0 BFADHM Cc1ccc(NC(=O)c2cccc(C)n2)c([O-])c1 ZINC000040432065 358491182 /nfs/dbraw/zinc/49/11/82/358491182.db2.gz FOQVDHPGUWWGOF-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@H]1C[C@@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000335183759 355082115 /nfs/dbraw/zinc/08/21/15/355082115.db2.gz FFSABGAKLREZPD-WCBMZHEXSA-N -1 3 230.267 2.641 20 0 BFADHM C[C@@H]1C[C@@H]1CC(=O)Nc1cccc([O-])c1F ZINC000335185366 355084024 /nfs/dbraw/zinc/08/40/24/355084024.db2.gz CFYCHFBHBUDRMA-HTQZYQBOSA-N -1 3 223.247 2.516 20 0 BFADHM [O-]c1ccc(F)c(CN[C@@H]2C[C@H]3C[C@H]3C2)c1F ZINC000335234331 355095207 /nfs/dbraw/zinc/09/52/07/355095207.db2.gz ROPFDQHZOYHHPJ-AYMMMOKOSA-N -1 3 239.265 2.559 20 0 BFADHM Cc1ccc(C(=O)N2CCCC23CCC3)c([O-])c1 ZINC000335236133 355097325 /nfs/dbraw/zinc/09/73/25/355097325.db2.gz RKMYAVREDCPVPD-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM CC1(CC(=O)Nc2ncccc2[O-])CCCC1 ZINC000347672092 355260608 /nfs/dbraw/zinc/26/06/08/355260608.db2.gz IODYNNSSKQAWQL-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM CCCCC[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188589502 168744419 /nfs/dbraw/zinc/74/44/19/168744419.db2.gz KTIWHSQKLQFIHS-JTQLQIEISA-N -1 3 245.344 2.527 20 0 BFADHM CCc1cc(C(=O)Nc2ccccn2)ccc1[O-] ZINC000335800610 355493535 /nfs/dbraw/zinc/49/35/35/355493535.db2.gz XJTQDBUUSPHOKQ-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1coc(C)c1C(=O)Nc1cc(F)ccc1[O-] ZINC000335894200 355688019 /nfs/dbraw/zinc/68/80/19/355688019.db2.gz JLONLMRBHYFNBT-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CC2CC(C)(C)C2)n1 ZINC000351776171 356084432 /nfs/dbraw/zinc/08/44/32/356084432.db2.gz YUZKIRNGIZJKPT-UHFFFAOYSA-N -1 3 248.326 2.860 20 0 BFADHM CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000236930614 363461406 /nfs/dbraw/zinc/46/14/06/363461406.db2.gz HOFYLVQJRGQURN-SSDOTTSWSA-N -1 3 247.747 2.697 20 0 BFADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000179544862 366267381 /nfs/dbraw/zinc/26/73/81/366267381.db2.gz DJIXLDGCKMFZGX-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM Cc1cccc([O-])c1NC(=O)c1ccco1 ZINC000179558387 366269464 /nfs/dbraw/zinc/26/94/64/366269464.db2.gz XGORZVGPGFRACV-UHFFFAOYSA-N -1 3 217.224 2.546 20 0 BFADHM Cc1scc(C(=O)Nc2ncccc2[O-])c1C ZINC000179744246 366297938 /nfs/dbraw/zinc/29/79/38/366297938.db2.gz AFGWUEHWCAVIRN-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CC(C)[C@H](NC(=O)c1cccc([O-])c1)C1CC1 ZINC000323955318 356666337 /nfs/dbraw/zinc/66/63/37/356666337.db2.gz PTPNCQYNYNXQGH-ZDUSSCGKSA-N -1 3 233.311 2.557 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H](C)C1 ZINC000623359525 356801947 /nfs/dbraw/zinc/80/19/47/356801947.db2.gz VFRRVRCXGUGPCR-SNVBAGLBSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1oc(CN2[C@@H](C)CC[C@@H]2C)cc1C(=O)[O-] ZINC000583698732 357272691 /nfs/dbraw/zinc/27/26/91/357272691.db2.gz NACPHBUPLDHTRC-IUCAKERBSA-N -1 3 237.299 2.659 20 0 BFADHM CCCN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381488673 357354100 /nfs/dbraw/zinc/35/41/00/357354100.db2.gz GVAYBVRXMSKOGH-UHFFFAOYSA-N -1 3 241.718 2.880 20 0 BFADHM CCCCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000011886739 357456885 /nfs/dbraw/zinc/45/68/85/357456885.db2.gz WVABWARPJBTRBA-VIFPVBQESA-N -1 3 225.288 2.771 20 0 BFADHM CC[C@H](C)CC(=O)Nc1ccc(OC)cc1[O-] ZINC000359836298 538858190 /nfs/dbraw/zinc/85/81/90/538858190.db2.gz AHYKQNNPVFPZCJ-VIFPVBQESA-N -1 3 237.299 2.776 20 0 BFADHM Cc1ccc2oc(C(=O)[N-]c3cnoc3)cc2c1 ZINC000623939806 357790048 /nfs/dbraw/zinc/79/00/48/357790048.db2.gz FIHNEYOROJMNHX-UHFFFAOYSA-N -1 3 242.234 2.982 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000235636260 357926632 /nfs/dbraw/zinc/92/66/32/357926632.db2.gz MSHZXHSNTBHYAS-CABZTGNLSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000036170025 358012043 /nfs/dbraw/zinc/01/20/43/358012043.db2.gz WRTYGGVXCBFDIL-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM CCCCN(CC)Cc1ccoc1C(=O)[O-] ZINC000036926575 358056300 /nfs/dbraw/zinc/05/63/00/358056300.db2.gz BYDQLCPSRGUZOQ-UHFFFAOYSA-N -1 3 225.288 2.600 20 0 BFADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)C(C)C ZINC000036812831 358052752 /nfs/dbraw/zinc/05/27/52/358052752.db2.gz QKPUXGPMCSAXCW-UHFFFAOYSA-N -1 3 225.288 2.517 20 0 BFADHM CCCCN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812768 358052796 /nfs/dbraw/zinc/05/27/96/358052796.db2.gz PJGUTLIDPGZLQU-UHFFFAOYSA-N -1 3 225.288 2.518 20 0 BFADHM Cc1nc([N-]C(=O)c2cnc(C3CC3)o2)cs1 ZINC000640013694 358068207 /nfs/dbraw/zinc/06/82/07/358068207.db2.gz PRDCWGUXUQNHDG-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CC(C)c1cccc2c1CCN(CCC(=O)[O-])C2 ZINC000584814303 358184820 /nfs/dbraw/zinc/18/48/20/358184820.db2.gz LXOKXOULWODQRG-UHFFFAOYSA-N -1 3 247.338 2.643 20 0 BFADHM CC(C)n1cc(NCc2cc([O-])cc(F)c2)cn1 ZINC000223127544 358221084 /nfs/dbraw/zinc/22/10/84/358221084.db2.gz HSTXTFYPRNEFGD-UHFFFAOYSA-N -1 3 249.289 2.921 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000226204384 358335670 /nfs/dbraw/zinc/33/56/70/358335670.db2.gz ATDWYACVYJBDMZ-MDZLAQPJSA-N -1 3 247.338 2.947 20 0 BFADHM C[C@@H](CN(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC000042489051 358349673 /nfs/dbraw/zinc/34/96/73/358349673.db2.gz XMUUHMPVVYQZMJ-ZETCQYMHSA-N -1 3 247.747 2.554 20 0 BFADHM O=C([O-])c1coc(CN2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228024312 358368499 /nfs/dbraw/zinc/36/84/99/358368499.db2.gz BHHUVRQAEFLJIK-GXFFZTMASA-N -1 3 249.310 2.742 20 0 BFADHM C[C@H](N(C)C(=O)c1cccc([O-])c1)C(C)(C)C ZINC000042781326 358529738 /nfs/dbraw/zinc/52/97/38/358529738.db2.gz QHUNEKQQVSLKIU-JTQLQIEISA-N -1 3 235.327 2.899 20 0 BFADHM Cc1cc(C(=O)[N-]c2cccc(F)c2F)no1 ZINC000049388308 358686181 /nfs/dbraw/zinc/68/61/81/358686181.db2.gz XXJYNSGQZNTMRI-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ncccc1[O-] ZINC000450802977 202270908 /nfs/dbraw/zinc/27/09/08/202270908.db2.gz VZPOPGMBVFIBBF-TVQRCGJNSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@@H]1CCN(c2ccncc2C(=O)[O-])C[C@@H](C)C1 ZINC000578511463 366584181 /nfs/dbraw/zinc/58/41/81/366584181.db2.gz RDNHWUIANUZRSA-MNOVXSKESA-N -1 3 248.326 2.652 20 0 BFADHM O=C(CSC1CCC1)Nc1ccccc1[O-] ZINC000450986300 202327832 /nfs/dbraw/zinc/32/78/32/202327832.db2.gz OHVLEOZZNNLJKV-UHFFFAOYSA-N -1 3 237.324 2.616 20 0 BFADHM Cc1ccc(-c2nc([C@@H]3C[C@H]3C)no2)c([O-])c1 ZINC000088055502 359932715 /nfs/dbraw/zinc/93/27/15/359932715.db2.gz ZODIXEHXPAVYHB-PSASIEDQSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1cccc(C(=O)Nc2cccnc2C)c1[O-] ZINC000091497349 360118604 /nfs/dbraw/zinc/11/86/04/360118604.db2.gz DFJPJYVAWVITLZ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCc1ccc(C(=O)N(C2CC2)C2CC2)c([O-])c1 ZINC000628814609 360678481 /nfs/dbraw/zinc/67/84/81/360678481.db2.gz JXUVTYKVEQPFTN-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM Cc1ccc(C(=O)NC2(C(C)C)CC2)c([O-])c1 ZINC000379703581 360760408 /nfs/dbraw/zinc/76/04/08/360760408.db2.gz FNPZUIAPKIHPQT-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@]1(CNC(=O)c2cccc([O-])c2)C[C@H]2C[C@H]2C1 ZINC000629055703 360850798 /nfs/dbraw/zinc/85/07/98/360850798.db2.gz OADLEFPZKGBAJM-JYAVWHMHSA-N -1 3 245.322 2.558 20 0 BFADHM C[C@H]1C[C@@H]1CSc1n[n-]c(-c2ccccn2)n1 ZINC000629157993 360911097 /nfs/dbraw/zinc/91/10/97/360911097.db2.gz TVQUTOUCTHPRFO-DTWKUNHWSA-N -1 3 246.339 2.615 20 0 BFADHM O=C([O-])[C@@H]1CCN([C@@H]2C=CCCC2)[C@H]2CCC[C@@H]21 ZINC000629373383 361023945 /nfs/dbraw/zinc/02/39/45/361023945.db2.gz INLKKHRVMBTBJP-SYQHCUMBSA-N -1 3 249.354 2.670 20 0 BFADHM O=C([O-])c1coc(CN2CCCC3(CC3)CC2)c1 ZINC000629376913 361025391 /nfs/dbraw/zinc/02/53/91/361025391.db2.gz CUJNIFCUJLGAGN-UHFFFAOYSA-N -1 3 249.310 2.744 20 0 BFADHM CCC(C)(C)CC(=O)Nc1cccc2n[n-]nc21 ZINC000640380112 361190223 /nfs/dbraw/zinc/19/02/23/361190223.db2.gz NLCQZBFCXRQCST-UHFFFAOYSA-N -1 3 246.314 2.723 20 0 BFADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640379057 361191578 /nfs/dbraw/zinc/19/15/78/361191578.db2.gz CAGKIROLOKMTLU-DTWKUNHWSA-N -1 3 246.314 2.579 20 0 BFADHM O=C([N-]c1nncs1)c1csc(Cl)c1 ZINC000191817062 361370288 /nfs/dbraw/zinc/37/02/88/361370288.db2.gz UJJCPZPZOYFRCP-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM CCc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000181004198 366781308 /nfs/dbraw/zinc/78/13/08/366781308.db2.gz KEQHCXDWNAOXCZ-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1ccc(C(=O)NCCC2CC2)c([O-])c1C ZINC000436576661 201330702 /nfs/dbraw/zinc/33/07/02/201330702.db2.gz QBMVUYMRWWXPEH-UHFFFAOYSA-N -1 3 233.311 2.539 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1C ZINC000436562058 201331024 /nfs/dbraw/zinc/33/10/24/201331024.db2.gz IOIGCCASPRCTEA-GXSJLCMTSA-N -1 3 247.338 2.880 20 0 BFADHM CCc1cc(C(=O)N2CCC[C@H]2CC)ccc1[O-] ZINC000436692161 201335152 /nfs/dbraw/zinc/33/51/52/201335152.db2.gz WQTKDWMIWAFSSS-CYBMUJFWSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1 ZINC000436794264 201336242 /nfs/dbraw/zinc/33/62/42/201336242.db2.gz UTXSQWWWPQMPAJ-CYBMUJFWSA-N -1 3 247.338 2.873 20 0 BFADHM CC[C@@H](C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436945445 201342536 /nfs/dbraw/zinc/34/25/36/201342536.db2.gz GGOQZDPGBOGICH-SNVBAGLBSA-N -1 3 247.338 2.799 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CC(C)C)c1 ZINC000037265442 363883567 /nfs/dbraw/zinc/88/35/67/363883567.db2.gz FWKMADSJTQYUGF-NSHDSACASA-N -1 3 235.327 2.865 20 0 BFADHM C[C@H]1CC[C@H](c2nc3cccc(F)c3c(=O)[n-]2)O1 ZINC000630385700 364100085 /nfs/dbraw/zinc/10/00/85/364100085.db2.gz RMAGMSXZFHRMAY-OIBJUYFYSA-N -1 3 248.257 2.715 20 0 BFADHM CC[C@H](C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000573587963 364869864 /nfs/dbraw/zinc/86/98/64/364869864.db2.gz DVKPJIDCUNMIHK-QMMMGPOBSA-N -1 3 235.283 2.579 20 0 BFADHM Cc1cccc(Cl)c1CN(C)[C@H](C)C(=O)[O-] ZINC000574524988 365084031 /nfs/dbraw/zinc/08/40/31/365084031.db2.gz MIWNZKCGWCIOTR-SECBINFHSA-N -1 3 241.718 2.553 20 0 BFADHM CC(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000444528370 193049015 /nfs/dbraw/zinc/04/90/15/193049015.db2.gz NKQBIFZTCOOOMG-ZDUSSCGKSA-N -1 3 247.338 2.900 20 0 BFADHM CN(Cc1ccc(F)cc1)Cc1ncccc1[O-] ZINC000575787977 365362242 /nfs/dbraw/zinc/36/22/42/365362242.db2.gz ZPPNDYGQLZNTSP-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM Cc1ncc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000183016856 366965944 /nfs/dbraw/zinc/96/59/44/366965944.db2.gz PIDLXXKAGDDGJV-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM O=[S@](Cc1ccccc1)c1cccc([O-])c1 ZINC000184036444 367060393 /nfs/dbraw/zinc/06/03/93/367060393.db2.gz OKDNEBWLWFJYML-MRXNPFEDSA-N -1 3 232.304 2.700 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000380383946 367195070 /nfs/dbraw/zinc/19/50/70/367195070.db2.gz UNMPJVPKVQMOBY-LPEHRKFASA-N -1 3 249.310 2.627 20 0 BFADHM Cc1cc(CN2[C@H](C)CC[C@@H]2C)oc1C(=O)[O-] ZINC000581017252 367236757 /nfs/dbraw/zinc/23/67/57/367236757.db2.gz QKBIBQNMMOGAFC-AOOOYVTPSA-N -1 3 237.299 2.659 20 0 BFADHM O=C(N[C@@H]1CC2CCC1CC2)c1ccccc1[O-] ZINC000380907446 367322217 /nfs/dbraw/zinc/32/22/17/367322217.db2.gz RKZKICRAZOQTJW-GCZXYKMCSA-N -1 3 245.322 2.701 20 0 BFADHM CCc1cc(C(=O)N(C)[C@H](C)C2CC2)ccc1[O-] ZINC000581583470 367607885 /nfs/dbraw/zinc/60/78/85/367607885.db2.gz UKONHYVYYLJGPL-SNVBAGLBSA-N -1 3 247.338 2.825 20 0 BFADHM CC1(C)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000566978815 326099378 /nfs/dbraw/zinc/09/93/78/326099378.db2.gz AHGAZHDPDGMNES-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM C[C@@H](NCc1ccccc1Cl)[C@H](C)C(=O)[O-] ZINC000086297474 368878550 /nfs/dbraw/zinc/87/85/50/368878550.db2.gz IYXWAVFFZBMDJU-DTWKUNHWSA-N -1 3 241.718 2.539 20 0 BFADHM O=C([O-])c1coc(CN2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087777860 368897975 /nfs/dbraw/zinc/89/79/75/368897975.db2.gz BHHUVRQAEFLJIK-GWCFXTLKSA-N -1 3 249.310 2.742 20 0 BFADHM C[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000088705772 368924569 /nfs/dbraw/zinc/92/45/69/368924569.db2.gz CROGTDYTOSSSLV-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@H]1CCC(C)(C)N1C(=O)c1cccc([O-])c1 ZINC000616179304 369013181 /nfs/dbraw/zinc/01/31/81/369013181.db2.gz UDBSIDIWMMNIBG-JTQLQIEISA-N -1 3 233.311 2.795 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)C1CCCC1 ZINC000623680422 369389152 /nfs/dbraw/zinc/38/91/52/369389152.db2.gz LKNPNZSGKGEMDV-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CN(C(=O)c1cc2c(cc1[O-])CCCC2)C1CC1 ZINC000060372643 369476425 /nfs/dbraw/zinc/47/64/25/369476425.db2.gz ZCRVXSAGCLAEDK-UHFFFAOYSA-N -1 3 245.322 2.505 20 0 BFADHM Cc1cccc(C(=O)NCC2CC(C)(C)C2)c1[O-] ZINC000622543006 370989467 /nfs/dbraw/zinc/98/94/67/370989467.db2.gz WMISYWBREQAXDV-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CCCOCc1nc(=O)c2cc(C)sc2[n-]1 ZINC000620126943 369740346 /nfs/dbraw/zinc/74/03/46/369740346.db2.gz LMMDAOMQCUGRAZ-UHFFFAOYSA-N -1 3 238.312 2.632 20 0 BFADHM CN(C[C@H]1CC1(C)C)C(=O)c1cccc([O-])c1 ZINC000621057463 370089131 /nfs/dbraw/zinc/08/91/31/370089131.db2.gz QLUTXDYXNUFIMN-LLVKDONJSA-N -1 3 233.311 2.510 20 0 BFADHM O=C(CCc1cccs1)[N-]OC1CCCC1 ZINC000074581392 181934304 /nfs/dbraw/zinc/93/43/04/181934304.db2.gz UFDRRXOVYUTFQI-UHFFFAOYSA-N -1 3 239.340 2.671 20 0 BFADHM O=C(NCC1(C2CC2)CCC1)c1cccc([O-])c1 ZINC000182888823 182129794 /nfs/dbraw/zinc/12/97/94/182129794.db2.gz PBYLHKVHWVZFCQ-UHFFFAOYSA-N -1 3 245.322 2.702 20 0 BFADHM O=C(Nc1ccc(F)cc1F)c1cccc([O-])c1 ZINC000019839785 182356416 /nfs/dbraw/zinc/35/64/16/182356416.db2.gz YVXONYCYOWAEPI-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1=CCCCC1 ZINC000336486746 182372082 /nfs/dbraw/zinc/37/20/82/182372082.db2.gz XYPJRANZKGUADH-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)o1 ZINC000022279386 182379814 /nfs/dbraw/zinc/37/98/14/182379814.db2.gz GCSIJQUVMVKTTL-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM CCCCn1c(S[C@@H](C)C(C)C)n[n-]c1=O ZINC000353748802 169035672 /nfs/dbraw/zinc/03/56/72/169035672.db2.gz DBIWGJDRWYAORD-VIFPVBQESA-N -1 3 243.376 2.920 20 0 BFADHM CCCN(CC)C(=O)c1cc(C)ccc1[O-] ZINC000037023391 169117285 /nfs/dbraw/zinc/11/72/85/169117285.db2.gz MDSQDPVRVXAMGZ-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM [O-]c1ccc(F)c(CNc2cccnc2)c1F ZINC000336519516 183272738 /nfs/dbraw/zinc/27/27/38/183272738.db2.gz DLCMBEUFTDAZLI-UHFFFAOYSA-N -1 3 236.221 2.678 20 0 BFADHM [O-]c1cc(F)cc(CN(CC(F)F)C2CC2)c1 ZINC000186221608 183258325 /nfs/dbraw/zinc/25/83/25/183258325.db2.gz UITKZQDFPALCLI-UHFFFAOYSA-N -1 3 245.244 2.761 20 0 BFADHM CCCN(CCC)C(=O)c1cc(C)ccc1[O-] ZINC000019837738 169144645 /nfs/dbraw/zinc/14/46/45/169144645.db2.gz VVRBBUACCSBYJA-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM [O-]c1cc(F)cc(CN2CCC(CF)CC2)c1 ZINC000294914731 183259397 /nfs/dbraw/zinc/25/93/97/183259397.db2.gz ALITWLIKNUSKEM-UHFFFAOYSA-N -1 3 241.281 2.713 20 0 BFADHM [O-]c1cc(F)cc(CN[C@@H]2CCC[C@@H]2F)c1 ZINC000336493949 183260015 /nfs/dbraw/zinc/26/00/15/183260015.db2.gz RXNCYNRCVVLUBS-NWDGAFQWSA-N -1 3 227.254 2.512 20 0 BFADHM CCCN(CCC)C(=O)c1ccc(C)cc1[O-] ZINC000019837750 169145940 /nfs/dbraw/zinc/14/59/40/169145940.db2.gz IYKSLLPMZJKDIR-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM [O-]c1ccc(F)cc1-c1cccc(O)c1 ZINC000041661159 183285995 /nfs/dbraw/zinc/28/59/95/183285995.db2.gz ASXOEPRKGWHCAM-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM CCCSCC(=O)Nc1c(C)cccc1[O-] ZINC000179556967 169338606 /nfs/dbraw/zinc/33/86/06/169338606.db2.gz BMUFRBGRWZKNTR-UHFFFAOYSA-N -1 3 239.340 2.782 20 0 BFADHM CCC[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000019838055 169368542 /nfs/dbraw/zinc/36/85/42/169368542.db2.gz IZUOUEQAPUSUQO-SNVBAGLBSA-N -1 3 221.300 2.619 20 0 BFADHM CCC[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133206186 169351237 /nfs/dbraw/zinc/35/12/37/169351237.db2.gz QBPXQEXTZLQALN-SECBINFHSA-N -1 3 239.290 2.584 20 0 BFADHM CC(C)[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000070125036 534919627 /nfs/dbraw/zinc/91/96/27/534919627.db2.gz RXZGIDBRUUFMDB-NSHDSACASA-N -1 3 247.338 2.964 20 0 BFADHM Cc1ccc(C(=O)NCCC2=CCCC2)c([O-])c1 ZINC000229000333 259637672 /nfs/dbraw/zinc/63/76/72/259637672.db2.gz VNUUEQUIOCGLQG-UHFFFAOYSA-N -1 3 245.322 2.931 20 0 BFADHM Cc1cc(C(=O)N2CCCC23CCC3)ccc1[O-] ZINC000336424191 383857832 /nfs/dbraw/zinc/85/78/32/383857832.db2.gz PRTMCHVVEPDVOA-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000087777649 383864692 /nfs/dbraw/zinc/86/46/92/383864692.db2.gz ZAXCMCODIHSEQR-WCQYABFASA-N -1 3 245.322 2.797 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC2(CCC2)C1 ZINC000626085344 384131325 /nfs/dbraw/zinc/13/13/25/384131325.db2.gz JNHUNAHRVBXXTB-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000335947636 384162873 /nfs/dbraw/zinc/16/28/73/384162873.db2.gz MSOACPNANNKDGC-YPMHNXCESA-N -1 3 245.322 2.715 20 0 BFADHM CCCC(=O)Nc1c([O-])cccc1Cl ZINC000569533387 384181959 /nfs/dbraw/zinc/18/19/59/384181959.db2.gz HGCMMQJXMVKLMR-UHFFFAOYSA-N -1 3 213.664 2.784 20 0 BFADHM CO[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000092878365 384196500 /nfs/dbraw/zinc/19/65/00/384196500.db2.gz GXXOACYNZIFWJZ-VIFPVBQESA-N -1 3 241.718 2.586 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)c([O-])c1 ZINC000335411866 384264137 /nfs/dbraw/zinc/26/41/37/384264137.db2.gz RTEKKNTYGJEBHE-GFCCVEGCSA-N -1 3 245.322 2.573 20 0 BFADHM CC[C@@H](C)N(CC(=O)[O-])Cc1sccc1C ZINC000083406232 384297683 /nfs/dbraw/zinc/29/76/83/384297683.db2.gz DJHCDHHWDDUSQH-SNVBAGLBSA-N -1 3 241.356 2.742 20 0 BFADHM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(C)s1 ZINC000083406245 384298202 /nfs/dbraw/zinc/29/82/02/384298202.db2.gz MNZXMNMXEJAYIU-SECBINFHSA-N -1 3 241.356 2.742 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)CC(C)C)n1 ZINC000361343799 384401982 /nfs/dbraw/zinc/40/19/82/384401982.db2.gz KZRIQNWEQVUULZ-VIFPVBQESA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccc(C)c(CC(=O)[N-]OC2CCCC2)c1 ZINC000135140139 384416788 /nfs/dbraw/zinc/41/67/88/384416788.db2.gz CIFSHLOSCSYCMK-UHFFFAOYSA-N -1 3 247.338 2.836 20 0 BFADHM CCc1ccc(/C=C/C(=O)[N-]OCC(C)C)o1 ZINC000120723375 384375979 /nfs/dbraw/zinc/37/59/79/384375979.db2.gz NEPGXPUWHFGQMA-BQYQJAHWSA-N -1 3 237.299 2.559 20 0 BFADHM C[C@H](N(C)C(=O)c1ccccc1[O-])C1(C)CC1 ZINC000175630196 384459914 /nfs/dbraw/zinc/45/99/14/384459914.db2.gz AQSNGUGYOWWLJQ-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000149859236 384485531 /nfs/dbraw/zinc/48/55/31/384485531.db2.gz OAECDPCFMQDWJN-MRVPVSSYSA-N -1 3 230.267 2.956 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC3(CC3)C2)c1 ZINC000184134362 384572533 /nfs/dbraw/zinc/57/25/33/384572533.db2.gz JGLIYERDTPEYPL-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCCC1 ZINC000184781016 384646516 /nfs/dbraw/zinc/64/65/16/384646516.db2.gz UFXCDGOUCITKSG-UHFFFAOYSA-N -1 3 245.322 2.507 20 0 BFADHM CC(C(=O)Nc1ncccc1[O-])=C1CCCC1 ZINC000125586879 384730525 /nfs/dbraw/zinc/73/05/25/384730525.db2.gz JPWFNUKRZQFKER-UHFFFAOYSA-N -1 3 232.283 2.616 20 0 BFADHM CCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186323896 384834756 /nfs/dbraw/zinc/83/47/56/384834756.db2.gz GTAQMFDFBOEGDF-SECBINFHSA-N -1 3 219.284 2.642 20 0 BFADHM C[C@@H]1CCN(C(=O)C2CC2)c2c([O-])cccc21 ZINC000186323917 384835702 /nfs/dbraw/zinc/83/57/02/384835702.db2.gz BYNHMZHTSRTQPZ-SECBINFHSA-N -1 3 231.295 2.642 20 0 BFADHM CC(C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186336756 384836118 /nfs/dbraw/zinc/83/61/18/384836118.db2.gz GQUPPBSIEJMUIC-SNVBAGLBSA-N -1 3 233.311 2.888 20 0 BFADHM C[C@@H]1CC(NC(=O)c2ccccc2[O-])C[C@@H](C)C1 ZINC000084438239 384864952 /nfs/dbraw/zinc/86/49/52/384864952.db2.gz GQKFFPVVVOFPSV-QWRGUYRKSA-N -1 3 247.338 2.947 20 0 BFADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)[C@H]1C ZINC000248526802 384905603 /nfs/dbraw/zinc/90/56/03/384905603.db2.gz GHATYPAGVHVCCS-SUNKGSAMSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175720430 384948654 /nfs/dbraw/zinc/94/86/54/384948654.db2.gz UKTGLFAVNUBKPI-UHFFFAOYSA-N -1 3 249.207 2.512 20 0 BFADHM CCc1ccc(C(=O)N2CCC(C)CC2)c([O-])c1 ZINC000188479174 385060435 /nfs/dbraw/zinc/06/04/35/385060435.db2.gz KMJIMMWLQQCDBT-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000019836863 385114099 /nfs/dbraw/zinc/11/40/99/385114099.db2.gz BRVLKGVTNDMTHC-NSHDSACASA-N -1 3 241.290 2.883 20 0 BFADHM CCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153503317 385256501 /nfs/dbraw/zinc/25/65/01/385256501.db2.gz YJSCOVHILJWMRQ-UHFFFAOYSA-N -1 3 213.664 2.784 20 0 BFADHM Cc1ccc([O-])c(CN(C)[C@H](C)c2ccco2)n1 ZINC000131049579 385306080 /nfs/dbraw/zinc/30/60/80/385306080.db2.gz ZJQWNOVSYSRTHO-LLVKDONJSA-N -1 3 246.310 2.882 20 0 BFADHM CC(=O)CC(C)(C)CC(=O)Nc1ccccc1[O-] ZINC000191775195 385324261 /nfs/dbraw/zinc/32/42/61/385324261.db2.gz DLOUSNABLWPIRY-UHFFFAOYSA-N -1 3 249.310 2.726 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000643924863 385272765 /nfs/dbraw/zinc/27/27/65/385272765.db2.gz CHUWCHBDXVJWGC-JTQLQIEISA-N -1 3 235.327 2.873 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C3CC3)C2)ccc1[O-] ZINC000336369986 385282214 /nfs/dbraw/zinc/28/22/14/385282214.db2.gz DEPOFINQJWYSRM-CYBMUJFWSA-N -1 3 245.322 2.573 20 0 BFADHM CCO[N-]C(=O)Cc1cccc(Cl)c1Cl ZINC000193750701 385410229 /nfs/dbraw/zinc/41/02/29/385410229.db2.gz KQANKFQGKWLYQF-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM CSC[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179552963 385472123 /nfs/dbraw/zinc/47/21/23/385472123.db2.gz NJCMTKGTKZLKCI-SECBINFHSA-N -1 3 239.340 2.638 20 0 BFADHM C/C(=C\C(=O)Nc1ccccc1[O-])C1CC1 ZINC000195247201 385463809 /nfs/dbraw/zinc/46/38/09/385463809.db2.gz KARHFBMNRUHYRO-CMDGGOBGSA-N -1 3 217.268 2.687 20 0 BFADHM Cc1cccc(-c2nc(C(C)C)no2)c1[O-] ZINC000082644389 385626036 /nfs/dbraw/zinc/62/60/36/385626036.db2.gz LFFDQZNAEKZVAN-UHFFFAOYSA-N -1 3 218.256 2.874 20 0 BFADHM CCN(C)Cc1cccc([O-])c1Br ZINC000307344465 385680794 /nfs/dbraw/zinc/68/07/94/385680794.db2.gz MVNKNSJDKHCYMK-UHFFFAOYSA-N -1 3 244.132 2.606 20 0 BFADHM CC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000270324021 385698432 /nfs/dbraw/zinc/69/84/32/385698432.db2.gz YVSXZFMTBXTGNO-UHFFFAOYSA-N -1 3 219.284 2.911 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(Cl)cc1C ZINC000182868379 385716406 /nfs/dbraw/zinc/71/64/06/385716406.db2.gz DMRWNGZQNOCKRK-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM CCCCCNCc1c(F)ccc([O-])c1F ZINC000294359141 385841559 /nfs/dbraw/zinc/84/15/59/385841559.db2.gz SZVIKOIOLPSVKJ-UHFFFAOYSA-N -1 3 229.270 2.950 20 0 BFADHM CCN(Cc1cc(C)c(C(=O)[O-])o1)CC1CC1 ZINC000069238523 385852556 /nfs/dbraw/zinc/85/25/56/385852556.db2.gz FXRCKCFSDURRKS-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CN(Cc1cccc([O-])c1Cl)CC1CC1 ZINC000295276698 386006313 /nfs/dbraw/zinc/00/63/13/386006313.db2.gz IAYOFEGIEXVFQY-UHFFFAOYSA-N -1 3 225.719 2.887 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000414634944 386021110 /nfs/dbraw/zinc/02/11/10/386021110.db2.gz FIPMNUFVXUMCMC-GFCCVEGCSA-N -1 3 233.311 2.615 20 0 BFADHM CC(F)(F)CC[S@@](=O)c1cccc([O-])c1 ZINC000414247230 386056709 /nfs/dbraw/zinc/05/67/09/386056709.db2.gz OGVOLWFKNGNIAR-OAHLLOKOSA-N -1 3 234.267 2.545 20 0 BFADHM CCCn1c(=O)[n-]nc1S[C@H]1CC[C@H](C)C1 ZINC000338519130 386036358 /nfs/dbraw/zinc/03/63/58/386036358.db2.gz FQECTSWTTPHSER-IUCAKERBSA-N -1 3 241.360 2.674 20 0 BFADHM CCO[N-]C(=O)Nc1cc(SC)ccc1C ZINC000273906212 386048093 /nfs/dbraw/zinc/04/80/93/386048093.db2.gz TVVTVGAQTAKHLN-UHFFFAOYSA-N -1 3 240.328 2.790 20 0 BFADHM CCc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000334438647 386048546 /nfs/dbraw/zinc/04/85/46/386048546.db2.gz KEHWUFSNQCUIAZ-UHFFFAOYSA-N -1 3 248.307 2.663 20 0 BFADHM CC[C@@H](C)NCc1c(F)ccc([O-])c1F ZINC000295917796 386106146 /nfs/dbraw/zinc/10/61/46/386106146.db2.gz DTJBVIGQSPBCCC-SSDOTTSWSA-N -1 3 215.243 2.559 20 0 BFADHM CCN(CCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037979257 386112587 /nfs/dbraw/zinc/11/25/87/386112587.db2.gz NXMXJBGYOXOJOA-UHFFFAOYSA-N -1 3 247.747 2.698 20 0 BFADHM Cc1cnc(C[N-]c2nc(C(C)C)no2)s1 ZINC000296081249 386135954 /nfs/dbraw/zinc/13/59/54/386135954.db2.gz SPZZEAUUFFSQQG-UHFFFAOYSA-N -1 3 238.316 2.570 20 0 BFADHM Cc1c(Cl)cncc1NC([O-])=NOC(C)C ZINC000296834630 386205279 /nfs/dbraw/zinc/20/52/79/386205279.db2.gz DWYLSRJPCRGUIM-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM Cc1c(Cl)cncc1NC(=O)[N-]OC(C)C ZINC000296834630 386205283 /nfs/dbraw/zinc/20/52/83/386205283.db2.gz DWYLSRJPCRGUIM-UHFFFAOYSA-N -1 3 243.694 2.505 20 0 BFADHM CC(F)(F)C(=O)[N-]Cc1ccccc1Cl ZINC000288604874 386219787 /nfs/dbraw/zinc/21/97/87/386219787.db2.gz PWWKSJJLCQLDIK-UHFFFAOYSA-N -1 3 233.645 2.611 20 0 BFADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)cc1 ZINC000288671348 386225633 /nfs/dbraw/zinc/22/56/33/386225633.db2.gz WLBPIHIQMRSOPW-UHFFFAOYSA-N -1 3 233.645 2.611 20 0 BFADHM Cc1ccc(F)c(NC([O-])=NOC(C)C)c1 ZINC000296720010 386195470 /nfs/dbraw/zinc/19/54/70/386195470.db2.gz BUIKMCZYURHOMZ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1ccc(F)c(NC(=O)[N-]OC(C)C)c1 ZINC000296720010 386195475 /nfs/dbraw/zinc/19/54/75/386195475.db2.gz BUIKMCZYURHOMZ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM O=C(c1cc([O-])ccc1Cl)N1CCCCC1 ZINC000236605058 386289639 /nfs/dbraw/zinc/28/96/39/386289639.db2.gz JOSQDJRDHKLIKR-UHFFFAOYSA-N -1 3 239.702 2.672 20 0 BFADHM C[C@@H](C1CC1)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000298337051 386325241 /nfs/dbraw/zinc/32/52/41/386325241.db2.gz PVQXLCUDSMPUFT-JTQLQIEISA-N -1 3 245.322 2.795 20 0 BFADHM Cc1ccc([O-])c(CNc2ccc(F)cc2)n1 ZINC000091993513 386319419 /nfs/dbraw/zinc/31/94/19/386319419.db2.gz HSIXRJCLVRIISU-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM CCc1ccc(C(=O)N(CC)C(C)C)c([O-])c1 ZINC000276060973 386268339 /nfs/dbraw/zinc/26/83/39/386268339.db2.gz AGLXYJVTOHBLQH-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM COC1(CC(=O)Nc2c(C)cccc2[O-])CCC1 ZINC000276580491 386350129 /nfs/dbraw/zinc/35/01/29/386350129.db2.gz BUQUCFLTFSVBMF-UHFFFAOYSA-N -1 3 249.310 2.598 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000226716232 386369432 /nfs/dbraw/zinc/36/94/32/386369432.db2.gz NTBBKZKDLFFWDZ-LBPRGKRZSA-N -1 3 247.338 2.963 20 0 BFADHM CCO[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000298746923 386378624 /nfs/dbraw/zinc/37/86/24/386378624.db2.gz STRXZGPTQNPGJY-UHFFFAOYSA-N -1 3 241.718 2.730 20 0 BFADHM CCc1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000276503282 386334454 /nfs/dbraw/zinc/33/44/54/386334454.db2.gz JSTHAJNUGMLNJG-PHIMTYICSA-N -1 3 247.338 2.683 20 0 BFADHM Cc1cc(C(=O)N(C)CC(C)(C)C)ccc1[O-] ZINC000227025200 386446481 /nfs/dbraw/zinc/44/64/81/386446481.db2.gz PSPHIKMHSKOREW-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM C/C=C(/CC)C(=O)[N-]OCc1ccc(F)cc1 ZINC000276966648 386397216 /nfs/dbraw/zinc/39/72/16/386397216.db2.gz ZXKMXLQFWJFTQR-JYOAFUTRSA-N -1 3 237.274 2.730 20 0 BFADHM O=c1cc(CNc2ccccc2)nc(C2CC2)[n-]1 ZINC000416987125 386433838 /nfs/dbraw/zinc/43/38/38/386433838.db2.gz BKVJWQWPECKQPN-UHFFFAOYSA-N -1 3 241.294 2.672 20 0 BFADHM CCCc1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000277788435 386464738 /nfs/dbraw/zinc/46/47/38/386464738.db2.gz DVUJMNBJBGNROP-UHFFFAOYSA-N -1 3 248.282 2.793 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2CCC2(C)C)ccc1[O-] ZINC000291752383 386579324 /nfs/dbraw/zinc/57/93/24/386579324.db2.gz FWUVYOOIRHUIJH-CYBMUJFWSA-N -1 3 247.338 2.873 20 0 BFADHM CCCNCc1cccc([O-])c1Br ZINC000315168637 386632104 /nfs/dbraw/zinc/63/21/04/386632104.db2.gz GZHIRXDVLOHFEX-UHFFFAOYSA-N -1 3 244.132 2.654 20 0 BFADHM Cc1ocnc1C(=O)[N-]c1ccsc1Cl ZINC000336406151 386602335 /nfs/dbraw/zinc/60/23/35/386602335.db2.gz ZVNZAXRPDJUUTJ-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM CCO[N-]C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000279780759 386736362 /nfs/dbraw/zinc/73/63/62/386736362.db2.gz UELGOKKSMXWXEH-JTQLQIEISA-N -1 3 246.310 2.729 20 0 BFADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000388933035 386779154 /nfs/dbraw/zinc/77/91/54/386779154.db2.gz USHSGGUAEPLSIW-PWSUYJOCSA-N -1 3 233.311 2.701 20 0 BFADHM CCc1ccc(C(=O)N2CCC=C(C)C2)c([O-])c1 ZINC000280646804 386831448 /nfs/dbraw/zinc/83/14/48/386831448.db2.gz JFSFKRGYQWQCAJ-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM CS[C@H](C)CNCc1c(F)ccc([O-])c1F ZINC000293628696 386852874 /nfs/dbraw/zinc/85/28/74/386852874.db2.gz NAQRFGLEOIBMIG-SSDOTTSWSA-N -1 3 247.310 2.512 20 0 BFADHM Cc1cc(C)cc(CCC(=O)[N-]OCC2CC2)c1 ZINC000293688176 386861998 /nfs/dbraw/zinc/86/19/98/386861998.db2.gz BWMBEHICYCMAHX-UHFFFAOYSA-N -1 3 247.338 2.694 20 0 BFADHM Cc1ccc(CCC(=O)[N-]OCC2CC2)c(C)c1 ZINC000293750472 386872968 /nfs/dbraw/zinc/87/29/68/386872968.db2.gz KEDRILHWMAUFAC-UHFFFAOYSA-N -1 3 247.338 2.694 20 0 BFADHM Cc1ccc(C(=O)N2CC(C3CCC3)C2)c([O-])c1 ZINC000335774852 386923627 /nfs/dbraw/zinc/92/36/27/386923627.db2.gz ZWFHBGMCMOOYSO-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM CCOC(=O)c1csc(-c2ccccc2[O-])n1 ZINC000033846979 386987450 /nfs/dbraw/zinc/98/74/50/386987450.db2.gz YICNUAPUQPAMGG-UHFFFAOYSA-N -1 3 249.291 2.692 20 0 BFADHM O=C(CCC1CCCC1)Nc1ccncc1[O-] ZINC000109890729 387058229 /nfs/dbraw/zinc/05/82/29/387058229.db2.gz TUOZNCBVSWHYIG-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM CCc1[nH]ccc1C(=O)Nc1c(C)cccc1[O-] ZINC000334975829 387062158 /nfs/dbraw/zinc/06/21/58/387062158.db2.gz DHWFKDOKIGLVAO-UHFFFAOYSA-N -1 3 244.294 2.843 20 0 BFADHM [O-]c1ccc(F)c(CNC[C@H]2CC23CC3)c1F ZINC000418097428 387107839 /nfs/dbraw/zinc/10/78/39/387107839.db2.gz NQACJLMDRDVJSQ-MRVPVSSYSA-N -1 3 239.265 2.560 20 0 BFADHM Cc1cccc([O-])c1NC(=O)c1ccncc1C ZINC000336353948 387183307 /nfs/dbraw/zinc/18/33/07/387183307.db2.gz GBWKLOLGOANPJH-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC23CCCC3)c1 ZINC000395695947 387312498 /nfs/dbraw/zinc/31/24/98/387312498.db2.gz XHBMRIVPFYZRAG-ZDUSSCGKSA-N -1 3 245.322 2.763 20 0 BFADHM CCCn1c(S[C@@H](C)C(C)C)n[n-]c1=O ZINC000353750319 387270635 /nfs/dbraw/zinc/27/06/35/387270635.db2.gz HQIWHVCMWZEFKX-QMMMGPOBSA-N -1 3 229.349 2.530 20 0 BFADHM CCCn1c(S[C@H](C)C(C)C)n[n-]c1=O ZINC000353750318 387270731 /nfs/dbraw/zinc/27/07/31/387270731.db2.gz HQIWHVCMWZEFKX-MRVPVSSYSA-N -1 3 229.349 2.530 20 0 BFADHM O=C([O-])c1cccc(CNCc2cccs2)c1 ZINC000232448123 387292117 /nfs/dbraw/zinc/29/21/17/387292117.db2.gz HLKVMVUFQOMPGS-UHFFFAOYSA-N -1 3 247.319 2.736 20 0 BFADHM CCCCN(CC)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432189 387366293 /nfs/dbraw/zinc/36/62/93/387366293.db2.gz DQIAPNHLFUBMCN-UHFFFAOYSA-N -1 3 239.315 2.908 20 0 BFADHM CS[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000124372615 387615659 /nfs/dbraw/zinc/61/56/59/387615659.db2.gz GUMJXGDSRANYGQ-SSDOTTSWSA-N -1 3 243.303 2.611 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c([O-])c1 ZINC000399603180 387558598 /nfs/dbraw/zinc/55/85/98/387558598.db2.gz ZKRDGIKKWSAGIT-SDDRHHMPSA-N -1 3 247.338 2.817 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@H](C)CCC2(C)C)n1 ZINC000452002589 387694960 /nfs/dbraw/zinc/69/49/60/387694960.db2.gz FFELCBBSLCPOKK-SNVBAGLBSA-N -1 3 249.358 2.508 20 0 BFADHM CCCCCOCC(=O)Nc1ccccc1[O-] ZINC000123343037 387682727 /nfs/dbraw/zinc/68/27/27/387682727.db2.gz YEEGKTOSETVHMA-UHFFFAOYSA-N -1 3 237.299 2.538 20 0 BFADHM CC(C)CCC[S@@](=O)c1cccc([O-])c1 ZINC000431195361 387688198 /nfs/dbraw/zinc/68/81/98/387688198.db2.gz XUNLPJZPLOWBJE-OAHLLOKOSA-N -1 3 226.341 2.936 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2C=CCCC2)c1[O-] ZINC000157413279 387793653 /nfs/dbraw/zinc/79/36/53/387793653.db2.gz PKXAYNRCPIGMKO-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM C[C@@H](N(C)C(=O)c1ccccc1[O-])C(C)(C)C ZINC000055482265 387830927 /nfs/dbraw/zinc/83/09/27/387830927.db2.gz BFFOISGCNLJDKC-SNVBAGLBSA-N -1 3 235.327 2.899 20 0 BFADHM C[C@H](N(C)C(=O)c1ccccc1[O-])C(C)(C)C ZINC000055482263 387832062 /nfs/dbraw/zinc/83/20/62/387832062.db2.gz BFFOISGCNLJDKC-JTQLQIEISA-N -1 3 235.327 2.899 20 0 BFADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1ccccc1[O-] ZINC000528115061 387848927 /nfs/dbraw/zinc/84/89/27/387848927.db2.gz OXXZRYAYBOJAAR-HJIKLVIJSA-N -1 3 231.295 2.623 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC2(CC)CC2)c1 ZINC000452847369 387929510 /nfs/dbraw/zinc/92/95/10/387929510.db2.gz LVSRESSUGFZRHM-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CC(C)CC1(CNC(=O)c2ccccc2[O-])CC1 ZINC000392215015 387938152 /nfs/dbraw/zinc/93/81/52/387938152.db2.gz QGANZLZTSPQFHF-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1O ZINC000082282530 388021825 /nfs/dbraw/zinc/02/18/25/388021825.db2.gz JWCYDYSJDCKLOH-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000447527057 388076176 /nfs/dbraw/zinc/07/61/76/388076176.db2.gz DBQKBFBTPRXGOR-SNVBAGLBSA-N -1 3 248.326 2.942 20 0 BFADHM CC1(C)CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000447527055 388076300 /nfs/dbraw/zinc/07/63/00/388076300.db2.gz DBQKBFBTPRXGOR-JTQLQIEISA-N -1 3 248.326 2.942 20 0 BFADHM O=C(Cc1ccccc1)Nc1ccc([O-])cc1F ZINC000085203706 388085404 /nfs/dbraw/zinc/08/54/04/388085404.db2.gz GQJWKYHBFVIXQL-UHFFFAOYSA-N -1 3 245.253 2.713 20 0 BFADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1ccccc1[O-] ZINC000448762763 388109811 /nfs/dbraw/zinc/10/98/11/388109811.db2.gz MDMMEYMFCOGABC-GARJFASQSA-N -1 3 231.295 2.767 20 0 BFADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000449107795 388143747 /nfs/dbraw/zinc/14/37/47/388143747.db2.gz NYTZWXWTKIGIPP-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C/C1CCC1 ZINC000492339197 388341881 /nfs/dbraw/zinc/34/18/81/388341881.db2.gz GXXWUZORDNQFGR-CMDGGOBGSA-N -1 3 231.295 2.995 20 0 BFADHM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[O-] ZINC000226952240 388356407 /nfs/dbraw/zinc/35/64/07/388356407.db2.gz QXQUWGBZLCEFNO-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM CCN(CCOC)Cc1cccc([O-])c1Cl ZINC000294898721 388405963 /nfs/dbraw/zinc/40/59/63/388405963.db2.gz MGYZSHLIDPHWIP-UHFFFAOYSA-N -1 3 243.734 2.514 20 0 BFADHM Cc1ccc(NC(=O)C[C@H]2C=CCC2)c([O-])c1 ZINC000008241857 388402465 /nfs/dbraw/zinc/40/24/65/388402465.db2.gz NSFCOKUFWPLFHB-NSHDSACASA-N -1 3 231.295 2.995 20 0 BFADHM C/C=C(/C=C/C(=O)[N-]OCC(F)(F)F)CC ZINC000492118844 388335668 /nfs/dbraw/zinc/33/56/68/388335668.db2.gz NGIZEHHDXCYUSI-ZDSYRHETSA-N -1 3 237.221 2.509 20 0 BFADHM O=C(/C=C\C1CCC1)Nc1cc(F)ccc1[O-] ZINC000492267696 388339909 /nfs/dbraw/zinc/33/99/09/388339909.db2.gz GSSBWKLQDGIOBJ-DAXSKMNVSA-N -1 3 235.258 2.826 20 0 BFADHM CCC1(C)CN(C(=O)c2cccc(C)c2[O-])C1 ZINC000335917402 388455462 /nfs/dbraw/zinc/45/54/62/388455462.db2.gz LJQNIMVBFATPER-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ncccc1[O-] ZINC000648858746 388472682 /nfs/dbraw/zinc/47/26/82/388472682.db2.gz MEEBLIOIFUSOSV-VHSXEESVSA-N -1 3 248.326 2.798 20 0 BFADHM CC/C=C/CNC(=O)c1cc([O-])ccc1Cl ZINC000296010492 388416584 /nfs/dbraw/zinc/41/65/84/388416584.db2.gz SWKZNQRTFVFZML-ONEGZZNKSA-N -1 3 239.702 2.742 20 0 BFADHM CN(Cc1ccsc1C(=O)[O-])[C@@H]1CC1(C)C ZINC000564336802 388501476 /nfs/dbraw/zinc/50/14/76/388501476.db2.gz IDQJVIFASADKLS-SECBINFHSA-N -1 3 239.340 2.677 20 0 BFADHM CCC1(NC(=O)c2ccc(C)cc2[O-])CCC1 ZINC000135589286 388501783 /nfs/dbraw/zinc/50/17/83/388501783.db2.gz FVRNWKZIFYETDY-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM Cc1cccc(C(=O)NCc2cccs2)c1[O-] ZINC000006969011 388531538 /nfs/dbraw/zinc/53/15/38/388531538.db2.gz WMAHXMYMFWXMBA-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CN(Cc1occc1C(=O)[O-])CC1CCCC1 ZINC000111237697 388588149 /nfs/dbraw/zinc/58/81/49/388588149.db2.gz RZZNANFODSOJSJ-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM COc1ccncc1NCc1cc([O-])cc(F)c1 ZINC000185601492 388589417 /nfs/dbraw/zinc/58/94/17/388589417.db2.gz UDYNPSKKPXMGGT-UHFFFAOYSA-N -1 3 248.257 2.547 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H](C)C2CCC2)sc1C ZINC000649311983 388598669 /nfs/dbraw/zinc/59/86/69/388598669.db2.gz ZIUMERKEPQFKQS-SSDOTTSWSA-N -1 3 238.356 2.677 20 0 BFADHM CCc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1[O-] ZINC000552110576 388669538 /nfs/dbraw/zinc/66/95/38/388669538.db2.gz VAKQOGKKTGOEMZ-JTQLQIEISA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c1[O-] ZINC000552137920 388673506 /nfs/dbraw/zinc/67/35/06/388673506.db2.gz SUZCOJBGSAWRPG-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(NC(=O)/C=C/c2ccc[nH]2)c([O-])c1 ZINC000189547758 388637062 /nfs/dbraw/zinc/63/70/62/388637062.db2.gz NRPIMXAZVJFTOV-FNORWQNLSA-N -1 3 242.278 2.681 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@H]1CC2CCC1CC2 ZINC000551947781 388648055 /nfs/dbraw/zinc/64/80/55/388648055.db2.gz SBKFRFRGNHLZOL-ILDUYXDCSA-N -1 3 246.310 2.552 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1 ZINC000128273683 388743823 /nfs/dbraw/zinc/74/38/23/388743823.db2.gz VMRPUXVZLMQCPJ-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM CCC[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000019838057 388749701 /nfs/dbraw/zinc/74/97/01/388749701.db2.gz IZUOUEQAPUSUQO-JTQLQIEISA-N -1 3 221.300 2.619 20 0 BFADHM CC[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000192887329 388688121 /nfs/dbraw/zinc/68/81/21/388688121.db2.gz NSGZDXCRXHMLRN-SNVBAGLBSA-N -1 3 249.310 2.503 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCC[C@@H](C)C2)n1 ZINC000248784198 388693912 /nfs/dbraw/zinc/69/39/12/388693912.db2.gz VXTTYSJDOXKGEK-ZYHUDNBSSA-N -1 3 249.358 2.674 20 0 BFADHM Cc1cccc(C(=O)NC(C)(C)C2CC2)c1[O-] ZINC000227507651 388766608 /nfs/dbraw/zinc/76/66/08/388766608.db2.gz CEAGQKDEQLPJKS-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CCc1cnc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000554518913 388819156 /nfs/dbraw/zinc/81/91/56/388819156.db2.gz BKCYOJYFZOAFCU-SNAWJCMRSA-N -1 3 247.323 2.680 20 0 BFADHM CC[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000129281979 388826343 /nfs/dbraw/zinc/82/63/43/388826343.db2.gz YNRSCBUDFPYLBP-SSDOTTSWSA-N -1 3 211.236 2.516 20 0 BFADHM C[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000230687964 388829208 /nfs/dbraw/zinc/82/92/08/388829208.db2.gz NGASQKXAPWBNPG-MNOVXSKESA-N -1 3 233.311 2.558 20 0 BFADHM Cc1csc([N-]c2ncnc3ncccc23)n1 ZINC000163079283 388853229 /nfs/dbraw/zinc/85/32/29/388853229.db2.gz FHWCKDFXEADUGL-UHFFFAOYSA-N -1 3 243.295 2.533 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@@H]1C1CC1 ZINC000129599586 388856076 /nfs/dbraw/zinc/85/60/76/388856076.db2.gz WOJUSXRSILHTIS-RKDXNWHRSA-N -1 3 235.258 2.516 20 0 BFADHM CC[C@@]1(C)CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000556087472 388866746 /nfs/dbraw/zinc/86/67/46/388866746.db2.gz ZBSKORUMJCUHRT-FZMZJTMJSA-N -1 3 249.358 2.674 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN(C)C(C)(C)C ZINC000565103861 388914811 /nfs/dbraw/zinc/91/48/11/388914811.db2.gz QICHGJBQMCQOFU-UHFFFAOYSA-N -1 3 239.315 2.771 20 0 BFADHM CSCCCSCc1ncccc1[O-] ZINC000565372114 388941050 /nfs/dbraw/zinc/94/10/50/388941050.db2.gz HZFFHSMPAVILET-UHFFFAOYSA-N -1 3 229.370 2.774 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H](CC)C2)c1 ZINC000153163396 388946324 /nfs/dbraw/zinc/94/63/24/388946324.db2.gz RFPALWVSMVVZAM-LBPRGKRZSA-N -1 3 247.338 2.827 20 0 BFADHM C[C@H]1CC(C[N-]C(=O)C(F)(F)F)C[C@H](C)C1 ZINC000575497084 388979386 /nfs/dbraw/zinc/97/93/86/388979386.db2.gz VSSAFCSCBXYDKL-HTQZYQBOSA-N -1 3 237.265 2.737 20 0 BFADHM O=C([N-]CC1CCC2(CC2)CC1)C(F)(F)F ZINC000575512924 389010960 /nfs/dbraw/zinc/01/09/60/389010960.db2.gz VTQGFHDKXMPNKK-UHFFFAOYSA-N -1 3 235.249 2.635 20 0 BFADHM CC1(CC(=O)N2CCCc3cccc([O-])c32)CC1 ZINC000336600278 132310239 /nfs/dbraw/zinc/31/02/39/132310239.db2.gz STSJDRCWODTUNO-UHFFFAOYSA-N -1 3 245.322 2.862 20 0 BFADHM Cc1cc(C(=O)[N-]c2c(C)noc2C)oc1C ZINC000334640913 133713328 /nfs/dbraw/zinc/71/33/28/133713328.db2.gz ASTZPIVRWKOQQD-UHFFFAOYSA-N -1 3 234.255 2.754 20 0 BFADHM Cc1cc(C(=O)N[C@H]2C=CCCC2)ccc1[O-] ZINC000335968232 134028865 /nfs/dbraw/zinc/02/88/65/134028865.db2.gz KRIUTXIVVGVCPM-LBPRGKRZSA-N -1 3 231.295 2.539 20 0 BFADHM [O-]c1ccc(F)c(CNCc2ccco2)c1F ZINC000351992475 134031933 /nfs/dbraw/zinc/03/19/33/134031933.db2.gz CWNWIOQVKRBBOF-UHFFFAOYSA-N -1 3 239.221 2.553 20 0 BFADHM [O-]c1ccc(F)c(CNCc2ccccc2)c1F ZINC000352006919 134035033 /nfs/dbraw/zinc/03/50/33/134035033.db2.gz WAQMQEWSZIRUKV-UHFFFAOYSA-N -1 3 249.260 2.960 20 0 BFADHM O=c1cc(C=Cc2cccnc2)nc(C2CC2)[n-]1 ZINC000352022128 134037117 /nfs/dbraw/zinc/03/71/17/134037117.db2.gz VKADFMLEEDFXLW-UTCJRWHESA-N -1 3 239.278 2.625 20 0 BFADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)o1 ZINC000335991762 134040706 /nfs/dbraw/zinc/04/07/06/134040706.db2.gz UOMIRHGJBVPKDI-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM C[C@H]1C[C@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000336016264 134053321 /nfs/dbraw/zinc/05/33/21/134053321.db2.gz RZUUYOXJOGLYHE-YUMQZZPRSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H]2C(C)C)c1 ZINC000336144070 134101518 /nfs/dbraw/zinc/10/15/18/134101518.db2.gz JWEGMPBUVONUHY-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1C ZINC000336157921 134106678 /nfs/dbraw/zinc/10/66/78/134106678.db2.gz LIQSZYIQCADMRZ-NXEZZACHSA-N -1 3 233.311 2.632 20 0 BFADHM [O-]c1cc(F)cc(CN2CC[C@@H]2C2CC2)c1 ZINC000336216184 134136747 /nfs/dbraw/zinc/13/67/47/134136747.db2.gz HQRQMQVAZVUBNE-CYBMUJFWSA-N -1 3 221.275 2.516 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000177020964 134293524 /nfs/dbraw/zinc/29/35/24/134293524.db2.gz BJEHXUVMPRZEIG-MNOVXSKESA-N -1 3 233.311 2.571 20 0 BFADHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cccc([O-])c1 ZINC000182459677 134342090 /nfs/dbraw/zinc/34/20/90/134342090.db2.gz DGDMPDRLVLWZIM-GHMZBOCLSA-N -1 3 247.338 2.947 20 0 BFADHM CCCSCC(=O)Nc1ccc([O-])cc1F ZINC000183274693 134352726 /nfs/dbraw/zinc/35/27/26/134352726.db2.gz NHZUOCQJKVIXIR-UHFFFAOYSA-N -1 3 243.303 2.613 20 0 BFADHM Cc1cccnc1CNCc1cc([O-])cc(F)c1 ZINC000184142611 134359154 /nfs/dbraw/zinc/35/91/54/134359154.db2.gz NUQWNYVZOMFRQU-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM Cc1cnc(NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000226715037 134371026 /nfs/dbraw/zinc/37/10/26/134371026.db2.gz WADVREDKLXBENM-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cc(C(=O)N(C)Cc2ccoc2)ccc1[O-] ZINC000227020899 134373771 /nfs/dbraw/zinc/37/37/71/134373771.db2.gz WGSVJYTVPNOJEP-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM CC1=C(C)CN(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000263336547 135347106 /nfs/dbraw/zinc/34/71/06/135347106.db2.gz NNRXAPFRPKUZID-UHFFFAOYSA-N -1 3 245.322 2.927 20 0 BFADHM Cc1oncc1NCc1c(F)ccc([O-])c1F ZINC000334398029 135389263 /nfs/dbraw/zinc/38/92/63/135389263.db2.gz DBXFWEJLRHHGRW-UHFFFAOYSA-N -1 3 240.209 2.579 20 0 BFADHM CCc1ccc(CNCc2ncccc2[O-])cc1 ZINC000347901258 136015463 /nfs/dbraw/zinc/01/54/63/136015463.db2.gz DJDZVRZNSUISFF-UHFFFAOYSA-N -1 3 242.322 2.639 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C)c([O-])c1 ZINC000050566647 322851736 /nfs/dbraw/zinc/85/17/36/322851736.db2.gz GQRCWMABEIZHRW-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM [O-]c1cccnc1CSc1ccc(O)cc1 ZINC000574954961 397769624 /nfs/dbraw/zinc/76/96/24/397769624.db2.gz WMRQWRALNHJJQI-UHFFFAOYSA-N -1 3 233.292 2.785 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1 ZINC000188033927 397881313 /nfs/dbraw/zinc/88/13/13/397881313.db2.gz BKQQKSAICWZIKO-SNVBAGLBSA-N -1 3 233.311 2.579 20 0 BFADHM CC[C@H](C)c1cccc(NC(=O)c2nc[n-]n2)c1 ZINC000628432544 398063151 /nfs/dbraw/zinc/06/31/51/398063151.db2.gz HUHGOUHSQHZVIT-VIFPVBQESA-N -1 3 244.298 2.571 20 0 BFADHM CCc1cccc(C(=O)N2CCC=C(C)C2)c1[O-] ZINC000517667505 398087607 /nfs/dbraw/zinc/08/76/07/398087607.db2.gz VKFGRJDTMCLHKR-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]OC(C)C ZINC000295523573 398134809 /nfs/dbraw/zinc/13/48/09/398134809.db2.gz IUTPREQFKSYRJY-ZJUUUORDSA-N -1 3 239.340 2.616 20 0 BFADHM CC(C)OC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000077251239 167171385 /nfs/dbraw/zinc/17/13/85/167171385.db2.gz DZMZCYWUEHFDQR-UHFFFAOYSA-N -1 3 236.296 2.703 20 0 BFADHM CC(C)OC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000077251239 167171387 /nfs/dbraw/zinc/17/13/87/167171387.db2.gz DZMZCYWUEHFDQR-UHFFFAOYSA-N -1 3 236.296 2.703 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC1(C)C ZINC000625232066 409668867 /nfs/dbraw/zinc/66/88/67/409668867.db2.gz ZJOCUPRWGDPJBI-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CC(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000267377373 166771889 /nfs/dbraw/zinc/77/18/89/166771889.db2.gz UFEOJYBHWYYMOR-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM CC(C)O[N-]C(=O)/C=C/Sc1ccccc1 ZINC000297242351 167273425 /nfs/dbraw/zinc/27/34/25/167273425.db2.gz PODZZTPFOPMUSM-CMDGGOBGSA-N -1 3 237.324 2.749 20 0 BFADHM CC(C)O[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000294162803 167274304 /nfs/dbraw/zinc/27/43/04/167274304.db2.gz QXIFWQKXUWQOPV-UHFFFAOYSA-N -1 3 246.310 2.557 20 0 BFADHM CC(C)O[N-]C(=O)[C@H](Cc1ccccc1)C(C)C ZINC000295558567 167279675 /nfs/dbraw/zinc/27/96/75/167279675.db2.gz MPKHWMGHQBLFKZ-CQSZACIVSA-N -1 3 249.354 2.958 20 0 BFADHM CC(C)Oc1cccc([O-])c1Br ZINC000095710845 167306873 /nfs/dbraw/zinc/30/68/73/167306873.db2.gz RTJAODNSZYBTGG-UHFFFAOYSA-N -1 3 231.089 2.942 20 0 BFADHM Cc1cccc(C(=O)N(C)CCC(C)C)c1[O-] ZINC000042239465 410977755 /nfs/dbraw/zinc/97/77/55/410977755.db2.gz TZCGMSMAGPMXJO-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM CC[C@@H](C(=O)[O-])N(C)c1ccnc2ccccc21 ZINC000044618997 411138550 /nfs/dbraw/zinc/13/85/50/411138550.db2.gz ZWKWQBWPYUIBQT-LBPRGKRZSA-N -1 3 244.294 2.534 20 0 BFADHM CC1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000070261431 167898443 /nfs/dbraw/zinc/89/84/43/167898443.db2.gz DZQKJRNPOGQLMY-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM O=C(Nc1ncccc1[O-])C1(C2CCC2)CCC1 ZINC000653726938 411252886 /nfs/dbraw/zinc/25/28/86/411252886.db2.gz VVGFOPSTXCMTFW-UHFFFAOYSA-N -1 3 246.310 2.696 20 0 BFADHM CCC(C)(C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000330829065 168276251 /nfs/dbraw/zinc/27/62/51/168276251.db2.gz PRBCIFLTECRWER-UHFFFAOYSA-N -1 3 236.315 2.860 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000069455952 168284828 /nfs/dbraw/zinc/28/48/28/168284828.db2.gz NCUSKHLQOWNFJW-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM CCC(C)(C)NC(=O)c1ccc([O-])c(C)c1 ZINC000226953718 168296143 /nfs/dbraw/zinc/29/61/43/168296143.db2.gz HDJYQXWENUVBKL-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CC(C)c1scnc1[N-]C(=O)c1cnco1 ZINC000655082876 411492513 /nfs/dbraw/zinc/49/25/13/411492513.db2.gz KIDNVBOLKRLDIA-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM CCO[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000116169466 170462179 /nfs/dbraw/zinc/46/21/79/170462179.db2.gz UJGTVVFSRRYPAL-NSHDSACASA-N -1 3 221.300 2.556 20 0 BFADHM CC/C=C\CCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660750299 411620773 /nfs/dbraw/zinc/62/07/73/411620773.db2.gz AYNXKAIREKVMOY-SREVYHEPSA-N -1 3 249.358 2.672 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000131095195 171009088 /nfs/dbraw/zinc/00/90/88/171009088.db2.gz JCIOUVXPCSSPDT-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM CC[C@@H]1CCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000294118455 171021153 /nfs/dbraw/zinc/02/11/53/171021153.db2.gz SQWYDHOAERLJAV-LLVKDONJSA-N -1 3 233.311 2.634 20 0 BFADHM CC[C@@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC000293962580 171024286 /nfs/dbraw/zinc/02/42/86/171024286.db2.gz PZYQDWQDSCIHCK-MRVPVSSYSA-N -1 3 227.254 2.655 20 0 BFADHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)cc2[O-])O1 ZINC000268256281 171032141 /nfs/dbraw/zinc/03/21/41/171032141.db2.gz QNLQFTZTZZCWMG-MFKMUULPSA-N -1 3 249.310 2.597 20 0 BFADHM CC[C@@H]1CC[C@H](C(=O)Nc2c(C)cccc2[O-])O1 ZINC000272598826 171048886 /nfs/dbraw/zinc/04/88/86/171048886.db2.gz YGXYUDCVXJCSRD-ZYHUDNBSSA-N -1 3 249.310 2.597 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000336321489 171127031 /nfs/dbraw/zinc/12/70/31/171127031.db2.gz BTLJOHTUIPMPJX-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000189220670 171262429 /nfs/dbraw/zinc/26/24/29/171262429.db2.gz SHFHQQAQIGGHNU-VIFPVBQESA-N -1 3 207.273 2.767 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000037173901 171271862 /nfs/dbraw/zinc/27/18/62/171271862.db2.gz LLBNQMGRAYPMFV-JTQLQIEISA-N -1 3 235.327 2.819 20 0 BFADHM CCc1cc(C(=O)NC[C@@H]2CC2(C)C)ccc1[O-] ZINC000362797651 171752837 /nfs/dbraw/zinc/75/28/37/171752837.db2.gz LSSQEFKNSLEEAG-LBPRGKRZSA-N -1 3 247.338 2.731 20 0 BFADHM CCc1ccc(C(=O)N(C)CC(C)C)c([O-])c1 ZINC000276049630 171783044 /nfs/dbraw/zinc/78/30/44/171783044.db2.gz ILCRBFFMBMZPBO-UHFFFAOYSA-N -1 3 235.327 2.683 20 0 BFADHM CCc1onc(C)c1[N-]C(=O)c1ccc(C)o1 ZINC000154051039 172127206 /nfs/dbraw/zinc/12/72/06/172127206.db2.gz KYXKZFWCZNOFCE-UHFFFAOYSA-N -1 3 234.255 2.699 20 0 BFADHM CN(C)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000336239036 172361547 /nfs/dbraw/zinc/36/15/47/172361547.db2.gz ZZVRJLBKLZLJPF-UHFFFAOYSA-N -1 3 243.306 2.566 20 0 BFADHM COc1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC000041268923 175032365 /nfs/dbraw/zinc/03/23/65/175032365.db2.gz CMNBWUUKYPOPDW-UHFFFAOYSA-N -1 3 236.271 2.954 20 0 BFADHM COc1cccc(-c2nc(C(C)(C)C)no2)c1[O-] ZINC000109036897 175236198 /nfs/dbraw/zinc/23/61/98/175236198.db2.gz MNIZNSYDHZXFQU-UHFFFAOYSA-N -1 3 248.282 2.748 20 0 BFADHM COc1cccc(-c2nc(CC(C)C)no2)c1[O-] ZINC000109037120 175236358 /nfs/dbraw/zinc/23/63/58/175236358.db2.gz WOMYFOLBXPENGV-UHFFFAOYSA-N -1 3 248.282 2.649 20 0 BFADHM COc1cccc(C(=O)Nc2ccccc2)c1[O-] ZINC000019836926 175246666 /nfs/dbraw/zinc/24/66/66/175246666.db2.gz YEQYSZSXQCHCFF-UHFFFAOYSA-N -1 3 243.262 2.653 20 0 BFADHM C[C@@H](c1ccccc1Cl)N(C)CCC(=O)[O-] ZINC000062015177 176023860 /nfs/dbraw/zinc/02/38/60/176023860.db2.gz PEEAVODSONFKCB-VIFPVBQESA-N -1 3 241.718 2.808 20 0 BFADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000019839629 176079879 /nfs/dbraw/zinc/07/98/79/176079879.db2.gz BMSSCZMIKCQEIE-PWSUYJOCSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OC/C=C/Cl ZINC000291808842 176127005 /nfs/dbraw/zinc/12/70/05/176127005.db2.gz LNXZQJSPMLHRBB-KJMWJQJQSA-N -1 3 231.723 2.613 20 0 BFADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000356142080 176136153 /nfs/dbraw/zinc/13/61/53/176136153.db2.gz DOJNCGWQZCDONG-MNOVXSKESA-N -1 3 248.326 2.942 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC000273490857 176163509 /nfs/dbraw/zinc/16/35/09/176163509.db2.gz AADGFMWHCFQAQA-LLVKDONJSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)[C@@H]1C ZINC000294202845 176174314 /nfs/dbraw/zinc/17/43/14/176174314.db2.gz KXLDYWPMOPFYIO-RKDXNWHRSA-N -1 3 241.281 2.901 20 0 BFADHM C[C@@H]1CCN(Cc2ccoc2C(=O)[O-])[C@H](C)C1 ZINC000051733288 176178232 /nfs/dbraw/zinc/17/82/32/176178232.db2.gz CGQLPQXKVUBLHJ-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@H](c1ccccc1Cl)N(C)CCC(=O)[O-] ZINC000062015178 177041111 /nfs/dbraw/zinc/04/11/11/177041111.db2.gz PEEAVODSONFKCB-SECBINFHSA-N -1 3 241.718 2.808 20 0 BFADHM C[C@H]1CC2(CCC2)CN1C(=O)c1cccc([O-])c1 ZINC000336319501 177068091 /nfs/dbraw/zinc/06/80/91/177068091.db2.gz VTGSSZDLICOHSG-NSHDSACASA-N -1 3 245.322 2.797 20 0 BFADHM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000042327623 177079789 /nfs/dbraw/zinc/07/97/89/177079789.db2.gz YPEPKYHCRNKTPU-NWDGAFQWSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000235553889 177108025 /nfs/dbraw/zinc/10/80/25/177108025.db2.gz NGKNFRUGHRYKPL-QMMMGPOBSA-N -1 3 239.702 2.670 20 0 BFADHM C[C@H]1CCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071265104 177110511 /nfs/dbraw/zinc/11/05/11/177110511.db2.gz SDKBSJDKSYXTDJ-VIFPVBQESA-N -1 3 237.274 2.508 20 0 BFADHM C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC000153745054 177154583 /nfs/dbraw/zinc/15/45/83/177154583.db2.gz HUOGEAJFABXTDW-WDEREUQCSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000088707487 177182606 /nfs/dbraw/zinc/18/26/06/177182606.db2.gz UMUOLXNHRDMPGX-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1C[C@@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000336514102 177342206 /nfs/dbraw/zinc/34/22/06/177342206.db2.gz AJFIEHPYIRZBAN-JGVFFNPUSA-N -1 3 223.247 2.516 20 0 BFADHM C[C@H]1C[C@@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000336770165 177343724 /nfs/dbraw/zinc/34/37/24/177343724.db2.gz WIOYGXGDEJTAGE-NTSWFWBYSA-N -1 3 236.262 2.652 20 0 BFADHM C[C@H]1C[C@@H]1CNCc1cccc([O-])c1Cl ZINC000294106497 177345863 /nfs/dbraw/zinc/34/58/63/177345863.db2.gz MSJWURNBFUHZQB-WCBMZHEXSA-N -1 3 225.719 2.791 20 0 BFADHM C[C@H]1C[C@H](C)CN(C(=O)c2cccc([O-])c2)C1 ZINC000019840016 177357930 /nfs/dbraw/zinc/35/79/30/177357930.db2.gz BVLJUFNAADWNST-QWRGUYRKSA-N -1 3 233.311 2.510 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1(CF)CCC1 ZINC000335507131 487641157 /nfs/dbraw/zinc/64/11/57/487641157.db2.gz HBZRZQHAZVHRDU-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM O=C(/C=C\c1ccccc1)[N-]OC/C=C\Cl ZINC000493238233 226162568 /nfs/dbraw/zinc/16/25/68/226162568.db2.gz KCJUDRPKEFQEKV-PNVIUGFYSA-N -1 3 237.686 2.500 20 0 BFADHM O=C(/C=C/c1ccsc1)[N-]OC/C=C/Cl ZINC000493500705 226234198 /nfs/dbraw/zinc/23/41/98/226234198.db2.gz SYPNDJOIBHBWRF-KQRCDPSGSA-N -1 3 243.715 2.562 20 0 BFADHM CC(C)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612217 487670371 /nfs/dbraw/zinc/67/03/71/487670371.db2.gz GUXHDKKSHOBPIC-AWEZNQCLSA-N -1 3 247.338 2.717 20 0 BFADHM C[C@H]1[C@@H](C)N(C(=O)c2cccc([O-])c2)C[C@H]1C ZINC000399579730 262839908 /nfs/dbraw/zinc/83/99/08/262839908.db2.gz RGUUAHCONSOOIQ-GMTAPVOTSA-N -1 3 233.311 2.509 20 0 BFADHM CN(CCC(C)(C)C)C(=O)c1cccc([O-])c1 ZINC000399802920 487754465 /nfs/dbraw/zinc/75/44/65/487754465.db2.gz CROXCQLKFVQATK-UHFFFAOYSA-N -1 3 235.327 2.900 20 0 BFADHM O=C([N-]c1cnoc1)c1cccc(Cl)c1F ZINC000675629151 487754945 /nfs/dbraw/zinc/75/49/45/487754945.db2.gz FXMRPKSNHCXVJM-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CC[C@@H](C)N(CC)Cc1cc(C(=O)[O-])co1 ZINC000051330349 487788523 /nfs/dbraw/zinc/78/85/23/487788523.db2.gz NYPITZLVOVYNBY-SECBINFHSA-N -1 3 225.288 2.598 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H](C)C1 ZINC000252364480 487822791 /nfs/dbraw/zinc/82/27/91/487822791.db2.gz KSXQUPDQQDIFQP-VHSXEESVSA-N -1 3 237.299 2.771 20 0 BFADHM CCOC([O-])=NOCCCSC(C)(C)C ZINC000871758008 589806451 /nfs/dbraw/zinc/80/64/51/589806451.db2.gz YTRWQGVSWRPQDN-UHFFFAOYSA-N -1 3 235.349 2.586 20 0 BFADHM CCOC(=O)[N-]OCCCSC(C)(C)C ZINC000871758008 589806454 /nfs/dbraw/zinc/80/64/54/589806454.db2.gz YTRWQGVSWRPQDN-UHFFFAOYSA-N -1 3 235.349 2.586 20 0 BFADHM CO[C@H](C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000666921085 487882678 /nfs/dbraw/zinc/88/26/78/487882678.db2.gz MNTSIYJSCDFUJJ-ZDUSSCGKSA-N -1 3 249.310 2.536 20 0 BFADHM CC1(C)CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000666921399 487906544 /nfs/dbraw/zinc/90/65/44/487906544.db2.gz UHMSKHKUIDNUHZ-VIFPVBQESA-N -1 3 219.284 2.767 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2ccccn2)no1 ZINC000038392703 322814161 /nfs/dbraw/zinc/81/41/61/322814161.db2.gz ZQPZJLGERBHELK-UHFFFAOYSA-N -1 3 239.234 2.504 20 0 BFADHM CCc1cccc(C(=O)N(C)[C@H]2CC2(C)C)c1[O-] ZINC000562375024 323018385 /nfs/dbraw/zinc/01/83/85/323018385.db2.gz SHKFLZXUZPMQMC-LBPRGKRZSA-N -1 3 247.338 2.825 20 0 BFADHM CC(=O)c1cccc(NC(=O)[C@@H](C)C2CC2)c1[O-] ZINC000570880961 323073399 /nfs/dbraw/zinc/07/33/99/323073399.db2.gz NCLMHGKDOYHRRB-QMMMGPOBSA-N -1 3 247.294 2.579 20 0 BFADHM C[C@H](c1ccco1)N(C)CCCCCC(=O)[O-] ZINC000563278129 323107657 /nfs/dbraw/zinc/10/76/57/323107657.db2.gz PNNZTLVGUABMFW-LLVKDONJSA-N -1 3 239.315 2.917 20 0 BFADHM CC(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048369278 323153103 /nfs/dbraw/zinc/15/31/03/323153103.db2.gz LWZRDESVMSVGIJ-UHFFFAOYSA-N -1 3 221.300 2.654 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)C2CC2)c([O-])c1C ZINC000048397585 323153414 /nfs/dbraw/zinc/15/34/14/323153414.db2.gz MZFCFMXXCXILOI-SNVBAGLBSA-N -1 3 233.311 2.537 20 0 BFADHM CC(C)CNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000049179972 323158646 /nfs/dbraw/zinc/15/86/46/323158646.db2.gz LLOKVAPZBUGHFD-UHFFFAOYSA-N -1 3 247.338 2.657 20 0 BFADHM Cc1scnc1[N-]C(=O)c1ncoc1C1CC1 ZINC000529543120 323183409 /nfs/dbraw/zinc/18/34/09/323183409.db2.gz KDXKNHUUUWFROZ-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CCC2)c1 ZINC000325368015 323435492 /nfs/dbraw/zinc/43/54/92/323435492.db2.gz ROWOLEMNVTZAGL-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])cc2F)[C@H]1C1CC1 ZINC000528990146 324228918 /nfs/dbraw/zinc/22/89/18/324228918.db2.gz YXTMYTYCQDMEDS-HAGUPOPPSA-N -1 3 249.285 2.762 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc(CC)cc1[O-] ZINC000682450303 487966310 /nfs/dbraw/zinc/96/63/10/487966310.db2.gz TVZFQBGRUSLTHT-SNVBAGLBSA-N -1 3 235.327 2.873 20 0 BFADHM Cc1ccc(C(=O)NCCC(C)(C)C)c([O-])c1 ZINC000131602124 325168967 /nfs/dbraw/zinc/16/89/67/325168967.db2.gz AYWOCHSHTKMPDK-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000132940040 325255356 /nfs/dbraw/zinc/25/53/56/325255356.db2.gz BWFYAQOTOKOIJO-KOLCDFICSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)NCC2CC(C)(C)C2)ccc1[O-] ZINC000548712851 325474983 /nfs/dbraw/zinc/47/49/83/325474983.db2.gz CZTMUNLUUBUVCA-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C2CC2)c1 ZINC000552356439 325624263 /nfs/dbraw/zinc/62/42/63/325624263.db2.gz UIMBATGCCNNYGD-JTQLQIEISA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@H]2CCC2(C)C)c1 ZINC000553791867 325699505 /nfs/dbraw/zinc/69/95/05/325699505.db2.gz TZPNNQIQUMEZCD-ZDUSSCGKSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@H](NCc1sccc1Cl)[C@H](C)C(=O)[O-] ZINC000565104953 325858293 /nfs/dbraw/zinc/85/82/93/325858293.db2.gz WXAQBODWILGEIL-BQBZGAKWSA-N -1 3 247.747 2.600 20 0 BFADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])cn1 ZINC000154273078 326137530 /nfs/dbraw/zinc/13/75/30/326137530.db2.gz DOLPOSVQCANPQR-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1conc1[N-]C(=O)c1c(F)cccc1F ZINC000154659401 326155607 /nfs/dbraw/zinc/15/56/07/326155607.db2.gz ZBASKLMGNHFHHX-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2C=CCCC2)c1 ZINC000157766710 326295069 /nfs/dbraw/zinc/29/50/69/326295069.db2.gz QKPKSAGVPIVRAJ-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM [O-]c1coc2cc(OCC3=CCCC3)ccc12 ZINC000401138892 488012651 /nfs/dbraw/zinc/01/26/51/488012651.db2.gz XMHHPLWZMDZJAM-UHFFFAOYSA-N -1 3 230.263 2.751 20 0 BFADHM CCc1ccc([O-])c(C(=O)N[C@H](C)C2CCC2)c1 ZINC000677412644 488030902 /nfs/dbraw/zinc/03/09/02/488030902.db2.gz NWPWZRIWFCEEFK-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM CCCn1c(=O)[n-]nc1SCCC=C(C)C ZINC000657231635 488106969 /nfs/dbraw/zinc/10/69/69/488106969.db2.gz IIMJNXYLHHKIMG-UHFFFAOYSA-N -1 3 241.360 2.842 20 0 BFADHM CSc1ccncc1[N-]C(=O)c1ccco1 ZINC000674255549 487538430 /nfs/dbraw/zinc/53/84/30/487538430.db2.gz CKJJLBMSLJHFFP-UHFFFAOYSA-N -1 3 234.280 2.649 20 0 BFADHM O=c1[n-]c(-c2cncs2)nc2cccc(F)c12 ZINC000674238445 487530479 /nfs/dbraw/zinc/53/04/79/487530479.db2.gz ASODPXBMCJANQE-UHFFFAOYSA-N -1 3 247.254 2.598 20 0 BFADHM CN(CCC(C)(C)C)Cc1cc(C(=O)[O-])co1 ZINC000399730539 487496223 /nfs/dbraw/zinc/49/62/23/487496223.db2.gz QCOADXINCJXFBK-UHFFFAOYSA-N -1 3 239.315 2.846 20 0 BFADHM CC(F)(F)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000674015904 487501246 /nfs/dbraw/zinc/50/12/46/487501246.db2.gz XMUKZIIISOFTCD-UHFFFAOYSA-N -1 3 247.216 2.905 20 0 BFADHM CC(C)c1ccoc1C(=O)[N-]c1cnoc1 ZINC000670779884 487520035 /nfs/dbraw/zinc/52/00/35/487520035.db2.gz QNJUWAHFVCWKRT-UHFFFAOYSA-N -1 3 220.228 2.643 20 0 BFADHM C[C@@H](c1ccccc1)N(C)Cc1ncccc1[O-] ZINC000685408150 487515981 /nfs/dbraw/zinc/51/59/81/487515981.db2.gz BWESFIIQCSZNFX-LBPRGKRZSA-N -1 3 242.322 2.980 20 0 BFADHM O=C([N-]c1nc(C2CCC2)cs1)c1cnco1 ZINC000683514586 488182965 /nfs/dbraw/zinc/18/29/65/488182965.db2.gz HINKIRVFEDRAJX-UHFFFAOYSA-N -1 3 249.295 2.651 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2F)n1 ZINC000167549199 488191074 /nfs/dbraw/zinc/19/10/74/488191074.db2.gz DRBOTJGGUSGMRZ-HWKANZROSA-N -1 3 248.232 2.939 20 0 BFADHM COc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000167607218 488191431 /nfs/dbraw/zinc/19/14/31/488191431.db2.gz BSERTZTVYOWKIC-SREVYHEPSA-N -1 3 242.278 2.670 20 0 BFADHM C[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000041689424 488195267 /nfs/dbraw/zinc/19/52/67/488195267.db2.gz UCTFNVBHCAQRHW-ZCFIWIBFSA-N -1 3 248.109 2.556 20 0 BFADHM CC(C)c1ccc(C(=O)N2CC(C)(C)C2)c([O-])c1 ZINC000684084974 488263118 /nfs/dbraw/zinc/26/31/18/488263118.db2.gz AYROHEZVEBFKMW-UHFFFAOYSA-N -1 3 247.338 2.998 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC12CCC2 ZINC000679320873 488335345 /nfs/dbraw/zinc/33/53/45/488335345.db2.gz UKTGFVBZUFTAMC-JTQLQIEISA-N -1 3 231.295 2.829 20 0 BFADHM Cc1conc1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000123888413 490268544 /nfs/dbraw/zinc/26/85/44/490268544.db2.gz OJUKFNPBNSGINK-UHFFFAOYSA-N -1 3 249.270 2.521 20 0 BFADHM Cc1cccc(C(=O)N[C@H](C)C2CCC2)c1[O-] ZINC000125945517 490473634 /nfs/dbraw/zinc/47/36/34/490473634.db2.gz YGULUNXKVSQLKB-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1 ZINC000125949014 490474395 /nfs/dbraw/zinc/47/43/95/490474395.db2.gz WUDLDSLWWPKLQZ-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM COc1ccc([O-])c(-c2nc(C3CCC3)no2)c1 ZINC000086492341 491062042 /nfs/dbraw/zinc/06/20/42/491062042.db2.gz NWHQWKLPWUJLKD-UHFFFAOYSA-N -1 3 246.266 2.718 20 0 BFADHM Cc1noc(C)c1[N-]C(=O)c1occ2c1CCC2 ZINC000671671118 491108223 /nfs/dbraw/zinc/10/82/23/491108223.db2.gz WUCFZRMVBIBDPX-UHFFFAOYSA-N -1 3 246.266 2.625 20 0 BFADHM C[C@@H]1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000195621957 533856927 /nfs/dbraw/zinc/85/69/27/533856927.db2.gz MJPPOIUAKCPTAP-NEPJUHHUSA-N -1 3 247.338 2.948 20 0 BFADHM CC[C@H]1CCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000037914344 517833576 /nfs/dbraw/zinc/83/35/76/517833576.db2.gz AETQUZKYVHWXAL-JTQLQIEISA-N -1 3 237.299 2.661 20 0 BFADHM CC(=O)c1cccc(NC(=O)[C@H]2CC2(C)C)c1[O-] ZINC000336143683 534892407 /nfs/dbraw/zinc/89/24/07/534892407.db2.gz REWGVOWTENFWJL-SNVBAGLBSA-N -1 3 247.294 2.579 20 0 BFADHM CCCCn1c(=O)[n-]nc1SCCCCF ZINC000505455557 529068771 /nfs/dbraw/zinc/06/87/71/529068771.db2.gz NKMAJAQTUDWWBE-UHFFFAOYSA-N -1 3 247.339 2.626 20 0 BFADHM CCCCn1c(=O)[n-]nc1SCC[C@@H](C)F ZINC000505449052 529068868 /nfs/dbraw/zinc/06/88/68/529068868.db2.gz JIQGTNYAMAUJPL-MRVPVSSYSA-N -1 3 247.339 2.624 20 0 BFADHM CC[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507253917 529344961 /nfs/dbraw/zinc/34/49/61/529344961.db2.gz SQYGQPJMNJGFNN-MRVPVSSYSA-N -1 3 229.270 2.901 20 0 BFADHM CC(C)[C@H]1CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263491990 535202458 /nfs/dbraw/zinc/20/24/58/535202458.db2.gz RLPNUWHELCEENO-CYBMUJFWSA-N -1 3 233.311 2.615 20 0 BFADHM COc1ccc(NCc2cc([O-])cc(F)c2)cn1 ZINC000223076206 536815661 /nfs/dbraw/zinc/81/56/61/536815661.db2.gz JLBDDPXOOMIEHV-UHFFFAOYSA-N -1 3 248.257 2.547 20 0 BFADHM COc1ccc(NC(=O)[C@@H](C)C(C)C)c([O-])c1 ZINC000442700558 537824572 /nfs/dbraw/zinc/82/45/72/537824572.db2.gz QCBZUWPABWAWRT-VIFPVBQESA-N -1 3 237.299 2.631 20 0 BFADHM CC[C@@H](C)CON=c1cc(C(F)F)[n-]cn1 ZINC000893952331 583261080 /nfs/dbraw/zinc/26/10/80/583261080.db2.gz WKSJPMUAFXJRGH-SSDOTTSWSA-N -1 3 231.246 2.804 20 0 BFADHM CCOC([O-])=NOCC[C@H]1CCc2ccccc21 ZINC000853726383 588759609 /nfs/dbraw/zinc/75/96/09/588759609.db2.gz KGMWQJJKMSDDDO-GFCCVEGCSA-N -1 3 249.310 2.784 20 0 BFADHM CCOC(=O)[N-]OCC[C@H]1CCc2ccccc21 ZINC000853726383 588759610 /nfs/dbraw/zinc/75/96/10/588759610.db2.gz KGMWQJJKMSDDDO-GFCCVEGCSA-N -1 3 249.310 2.784 20 0 BFADHM O=C([N-]OCC1CCC1)Nc1ccc(F)cc1 ZINC000853872249 588766963 /nfs/dbraw/zinc/76/69/63/588766963.db2.gz XRDJAPRBEMOHPW-UHFFFAOYSA-N -1 3 238.262 2.679 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC2CCC2)cc1 ZINC000853871198 588766678 /nfs/dbraw/zinc/76/66/78/588766678.db2.gz KYAOPWQVNZRAOW-UHFFFAOYSA-N -1 3 234.299 2.848 20 0 BFADHM C[C@@H]1CC=C(C(=O)[N-]Oc2ccccc2)CC1 ZINC000854537579 588791609 /nfs/dbraw/zinc/79/16/09/588791609.db2.gz QASYMUZNVQSDMY-LLVKDONJSA-N -1 3 231.295 2.843 20 0 BFADHM CC(F)(F)CCC(=O)[N-]Oc1ccccc1 ZINC000854539035 588791930 /nfs/dbraw/zinc/79/19/30/588791930.db2.gz WIASHZHYIWNJJH-UHFFFAOYSA-N -1 3 229.226 2.532 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)/C=C(\C)c1ccco1 ZINC000854603359 588796833 /nfs/dbraw/zinc/79/68/33/588796833.db2.gz WPGYTTWELXFOAS-MXBGMFSPSA-N -1 3 237.299 2.777 20 0 BFADHM CC1=CC[C@](C)(C(=O)[N-]OC2CCC2)CC1 ZINC000854753103 588805565 /nfs/dbraw/zinc/80/55/65/588805565.db2.gz RRLZXCLOYDHJGB-ZDUSSCGKSA-N -1 3 223.316 2.723 20 0 BFADHM CCCO[N-]C(=O)/C(C)=C/c1ccc(C)cc1 ZINC000844084960 582568753 /nfs/dbraw/zinc/56/87/53/582568753.db2.gz GDTLSYMROUMJSM-ZRDIBKRKSA-N -1 3 233.311 2.856 20 0 BFADHM CCCO[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000844084515 582568793 /nfs/dbraw/zinc/56/87/93/582568793.db2.gz UKOJRMPQPLUHEY-JTQLQIEISA-N -1 3 239.290 2.777 20 0 BFADHM Cc1cccc(C)c1C=Cc1nccc(=O)[n-]1 ZINC000121279224 582756893 /nfs/dbraw/zinc/75/68/93/582756893.db2.gz LWAARSGBZAMZGR-VOTSOKGWSA-N -1 3 226.279 2.557 20 0 BFADHM [O-]c1cccc(Cl)c1-c1cncnc1 ZINC000222681575 582790832 /nfs/dbraw/zinc/79/08/32/582790832.db2.gz SVZWGBZFUPSPID-UHFFFAOYSA-N -1 3 206.632 2.503 20 0 BFADHM O=c1cc(N2CCC[C@]3(CC=CCC3)C2)nc[n-]1 ZINC000892535435 582907911 /nfs/dbraw/zinc/90/79/11/582907911.db2.gz KTMVKRBDJMLCSS-CQSZACIVSA-N -1 3 245.326 2.509 20 0 BFADHM CC(C)CC1([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000856191811 588863974 /nfs/dbraw/zinc/86/39/74/588863974.db2.gz MDBZTIOIWJYMOC-UHFFFAOYSA-N -1 3 241.228 2.582 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2CC=CCC2)c([O-])c1 ZINC000135405942 582967337 /nfs/dbraw/zinc/96/73/37/582967337.db2.gz DMZHBAKMPOTNME-SNVBAGLBSA-N -1 3 247.294 2.696 20 0 BFADHM O=C(C[C@@H]1CCC(F)(F)C1)[N-]OCC1CCC1 ZINC000856352056 588870163 /nfs/dbraw/zinc/87/01/63/588870163.db2.gz WQCAHCNADFAMTL-JTQLQIEISA-N -1 3 247.285 2.660 20 0 BFADHM C/C(=C/C(=O)[N-]OCC1CCC1)c1ccccc1 ZINC000856345942 588868579 /nfs/dbraw/zinc/86/85/79/588868579.db2.gz SKJCIQWCIMWBLF-BENRWUELSA-N -1 3 245.322 2.938 20 0 BFADHM CC(C)C[C@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347007 588869032 /nfs/dbraw/zinc/86/90/32/588869032.db2.gz CINHRAPVXWTUFC-NSHDSACASA-N -1 3 227.348 2.907 20 0 BFADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCC2CCC2)C1 ZINC000856347963 588869077 /nfs/dbraw/zinc/86/90/77/588869077.db2.gz JUVVLCYMUNHYLU-ZYHUDNBSSA-N -1 3 225.332 2.661 20 0 BFADHM CC1(C(=O)[N-]OCC2CCC2)CCCCC1 ZINC000856350807 588869937 /nfs/dbraw/zinc/86/99/37/588869937.db2.gz QVEUQNGFHPRKIA-UHFFFAOYSA-N -1 3 225.332 2.805 20 0 BFADHM CC(C)O[N-]C(=O)c1c(F)ccc(F)c1Cl ZINC000857276751 588902422 /nfs/dbraw/zinc/90/24/22/588902422.db2.gz JZIATBOUHXQOQU-UHFFFAOYSA-N -1 3 249.644 2.688 20 0 BFADHM C/C(=C/C(=O)[N-]OC(C)C)c1cccs1 ZINC000857276517 588902444 /nfs/dbraw/zinc/90/24/44/588902444.db2.gz GFSDGTRHHUJDQI-CLFYSBASSA-N -1 3 225.313 2.608 20 0 BFADHM [O-]c1cc(Cl)cc(CN2CC[C@H](F)C2)c1 ZINC000894670331 583503315 /nfs/dbraw/zinc/50/33/15/583503315.db2.gz FTNWCPQJTMHMKP-JTQLQIEISA-N -1 3 229.682 2.589 20 0 BFADHM CCC1(C)CN(Cc2ccc([O-])c(F)c2)C1 ZINC000894840843 583529859 /nfs/dbraw/zinc/52/98/59/583529859.db2.gz RLMXMLQEGBAPPB-UHFFFAOYSA-N -1 3 223.291 2.763 20 0 BFADHM [O-]c1cc(Cl)cc(CN2CCC[C@@H](F)C2)c1 ZINC000895191801 583621882 /nfs/dbraw/zinc/62/18/82/583621882.db2.gz SIGZLRLYHRWDGP-LLVKDONJSA-N -1 3 243.709 2.980 20 0 BFADHM CC1(C)CO[C@@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000895526571 583684613 /nfs/dbraw/zinc/68/46/13/583684613.db2.gz OJSKIRFKPYGANT-JTQLQIEISA-N -1 3 249.310 2.536 20 0 BFADHM 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Cc1cc(=O)[n-]c(C=Cc2nc(C(C)C)c[nH]2)n1 ZINC000901503242 584455017 /nfs/dbraw/zinc/45/50/17/584455017.db2.gz BEJRKYSQMGSPGJ-PLNGDYQASA-N -1 3 244.298 2.508 20 0 BFADHM O=c1cc(C=Cc2ccns2)nc(C2CC2)[n-]1 ZINC000901506349 584455681 /nfs/dbraw/zinc/45/56/81/584455681.db2.gz KIZMKFZESXYENE-ARJAWSKDSA-N -1 3 245.307 2.687 20 0 BFADHM CC(C)C[C@H](C)CNCc1cc(C(=O)[O-])co1 ZINC000901954813 584508052 /nfs/dbraw/zinc/50/80/52/584508052.db2.gz SKWHSMBONGQYAM-JTQLQIEISA-N -1 3 239.315 2.750 20 0 BFADHM CC(C)C[C@@H](C)CNCc1cc(C(=O)[O-])co1 ZINC000901954814 584508195 /nfs/dbraw/zinc/50/81/95/584508195.db2.gz SKWHSMBONGQYAM-SNVBAGLBSA-N -1 3 239.315 2.750 20 0 BFADHM C[C@@H](NCc1cc(C(=O)[O-])co1)[C@@H]1C[C@H]1C1CC1 ZINC000901951684 584508332 /nfs/dbraw/zinc/50/83/32/584508332.db2.gz CRUKLWLJPKSROU-JCOFBHIZSA-N -1 3 249.310 2.502 20 0 BFADHM O=C([O-])/C=C/c1ccc(CNC2CCCCC2)o1 ZINC000902047063 584516289 /nfs/dbraw/zinc/51/62/89/584516289.db2.gz AENYERFBEWIAPU-CMDGGOBGSA-N -1 3 249.310 2.800 20 0 BFADHM CCC[C@H](C)NCc1cc(C(=O)[O-])c(CC)o1 ZINC000902055476 584518219 /nfs/dbraw/zinc/51/82/19/584518219.db2.gz AWVDIVFQQQQTJU-VIFPVBQESA-N -1 3 239.315 2.818 20 0 BFADHM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)C1CCC1 ZINC000902261735 584545290 /nfs/dbraw/zinc/54/52/90/584545290.db2.gz BNRPVLBVHINYCW-JARNTUPDSA-N -1 3 249.310 2.656 20 0 BFADHM O=C([O-])/C=C/c1ccc(CN[C@@H]2CC=CCC2)o1 ZINC000902265018 584549267 /nfs/dbraw/zinc/54/92/67/584549267.db2.gz UZEJBNYWWRDUQJ-ANYFNZRUSA-N -1 3 247.294 2.576 20 0 BFADHM CCc1oc(CNC2(C3CC3)CC2)cc1C(=O)[O-] ZINC000902269571 584549508 /nfs/dbraw/zinc/54/95/08/584549508.db2.gz LFHNUWSTQNURGH-UHFFFAOYSA-N -1 3 249.310 2.572 20 0 BFADHM CCc1oc(CNC[C@@H]2C=CCC2)cc1C(=O)[O-] ZINC000902273967 584550502 /nfs/dbraw/zinc/55/05/02/584550502.db2.gz NHDMHWBJNHBDLE-SNVBAGLBSA-N -1 3 249.310 2.596 20 0 BFADHM O=C([O-])c1coc(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000902327892 584561213 /nfs/dbraw/zinc/56/12/13/584561213.db2.gz XYABLVBMQZCUAP-LLVKDONJSA-N -1 3 249.310 2.600 20 0 BFADHM CC[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902401531 584587418 /nfs/dbraw/zinc/58/74/18/584587418.db2.gz UMMWAKNQXJTUJV-ISALQUGTSA-N -1 3 249.310 2.609 20 0 BFADHM O=C([O-])c1coc(CNCCC[C@@H]2C=CCC2)c1 ZINC000902414633 584600327 /nfs/dbraw/zinc/60/03/27/584600327.db2.gz WMTYAFXBAJOQTI-LLVKDONJSA-N -1 3 249.310 2.814 20 0 BFADHM Cc1cc(CN[C@@H]2C[C@H]2C2CCC2)oc1C(=O)[O-] ZINC000902467113 584614779 /nfs/dbraw/zinc/61/47/79/584614779.db2.gz NWSPQTFAHQEQHK-NWDGAFQWSA-N -1 3 249.310 2.564 20 0 BFADHM C[C@H]1CCCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902507343 584622112 /nfs/dbraw/zinc/62/21/12/584622112.db2.gz KPLQMLGDTLHKNZ-AEZGRPFRSA-N -1 3 249.310 2.752 20 0 BFADHM CCc1oc(CN2CCC[C@H]2C)cc1C(=O)[O-] ZINC000902532238 584633144 /nfs/dbraw/zinc/63/31/44/584633144.db2.gz ZXLNHMQITLXGHN-SECBINFHSA-N -1 3 237.299 2.525 20 0 BFADHM Cc1oc(CN2CCCC23CCC3)cc1C(=O)[O-] ZINC000903630288 584788082 /nfs/dbraw/zinc/78/80/82/584788082.db2.gz AYLKBISMMBGAEZ-UHFFFAOYSA-N -1 3 249.310 2.805 20 0 BFADHM CC[C@H](CNCc1ccsc1Cl)C(=O)[O-] ZINC000903709677 584789208 /nfs/dbraw/zinc/78/92/08/584789208.db2.gz PZPZIRKYPQCMPN-SSDOTTSWSA-N -1 3 247.747 2.602 20 0 BFADHM O=C(OCCCF)c1cc2ccsc2[n-]1 ZINC000741446284 584924655 /nfs/dbraw/zinc/92/46/55/584924655.db2.gz ZGNKDSULYXEEGW-UHFFFAOYSA-N -1 3 227.260 2.746 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C(C)=C1CCCC1 ZINC000816979369 584981983 /nfs/dbraw/zinc/98/19/83/584981983.db2.gz NIQZSFJSKRQWPA-JTQLQIEISA-N -1 3 225.332 2.971 20 0 BFADHM C/C=C\CSCc1cccc(-c2nnn[n-]2)c1 ZINC000736301785 584996785 /nfs/dbraw/zinc/99/67/85/584996785.db2.gz BFONBURCYZGFEK-IHWYPQMZSA-N -1 3 246.339 2.676 20 0 BFADHM C/C=C\CSCc1cccc(-c2nn[n-]n2)c1 ZINC000736301785 584996786 /nfs/dbraw/zinc/99/67/86/584996786.db2.gz BFONBURCYZGFEK-IHWYPQMZSA-N -1 3 246.339 2.676 20 0 BFADHM CCCCSc1ccccc1-c1nnn[n-]1 ZINC000736464422 585003696 /nfs/dbraw/zinc/00/36/96/585003696.db2.gz ZOECBVRLZLZYLX-UHFFFAOYSA-N -1 3 234.328 2.759 20 0 BFADHM CCCCSc1ccccc1-c1nn[n-]n1 ZINC000736464422 585003697 /nfs/dbraw/zinc/00/36/97/585003697.db2.gz ZOECBVRLZLZYLX-UHFFFAOYSA-N -1 3 234.328 2.759 20 0 BFADHM CC[C@@H](C)COC(=O)Cc1ccc([O-])c(F)c1 ZINC000838141601 585046934 /nfs/dbraw/zinc/04/69/34/585046934.db2.gz ILIQRVDXPKPXCL-SECBINFHSA-N -1 3 240.274 2.663 20 0 BFADHM CCOc1cc(CNCCF)cc(Cl)c1[O-] ZINC000839070127 585089732 /nfs/dbraw/zinc/08/97/32/585089732.db2.gz ITPMVWXJEPKODN-UHFFFAOYSA-N -1 3 247.697 2.503 20 0 BFADHM CCO[N-]C(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000741666675 585116348 /nfs/dbraw/zinc/11/63/48/585116348.db2.gz FUSQJPKDMWOAKK-BENRWUELSA-N -1 3 233.311 2.856 20 0 BFADHM CCO[N-]C(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000741666676 585116419 /nfs/dbraw/zinc/11/64/19/585116419.db2.gz FUSQJPKDMWOAKK-ZRDIBKRKSA-N -1 3 233.311 2.856 20 0 BFADHM O=C([N-]OCc1ccccc1)[C@@H]1CC12CCCC2 ZINC000747350356 585178176 /nfs/dbraw/zinc/17/81/76/585178176.db2.gz TYCBBYPTJFWVQH-ZDUSSCGKSA-N -1 3 245.322 2.815 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@H]3C[C@H]32)c1 ZINC000859216726 589020007 /nfs/dbraw/zinc/02/00/07/589020007.db2.gz LYYSXAOKYOWIJQ-QPUJVOFHSA-N -1 3 223.703 2.640 20 0 BFADHM O=C(O[C@@H]1C=CCCC1)c1ccc(F)cc1[O-] ZINC000750164743 585211561 /nfs/dbraw/zinc/21/15/61/585211561.db2.gz JXTGJUIWBHJSNJ-SNVBAGLBSA-N -1 3 236.242 2.797 20 0 BFADHM Cc1ncccc1NC(=O)c1cc2occc2[n-]1 ZINC000750899070 585221470 /nfs/dbraw/zinc/22/14/70/585221470.db2.gz FEUXEBABJKUQBB-UHFFFAOYSA-N -1 3 241.250 2.717 20 0 BFADHM CC(C)=C(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000751198921 585225631 /nfs/dbraw/zinc/22/56/31/585225631.db2.gz NGRMSLTXUMKYNB-UHFFFAOYSA-N -1 3 219.284 2.995 20 0 BFADHM C/C=C/COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730061 585235664 /nfs/dbraw/zinc/23/56/64/585235664.db2.gz AULCIJDGFIULEM-NSCUHMNNSA-N -1 3 244.649 2.918 20 0 BFADHM Cc1ccc([O-])c(NC(=O)/C=C2/CC[C@H](C)C2)n1 ZINC000753470967 585259452 /nfs/dbraw/zinc/25/94/52/585259452.db2.gz PVNJAALKANUZTK-ANHFWZFOSA-N -1 3 246.310 2.781 20 0 BFADHM COCCCO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000805043509 585260705 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20 0 BFADHM CC[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820882608 587079496 /nfs/dbraw/zinc/07/94/96/587079496.db2.gz VFOPOQKVLODJLJ-QMMMGPOBSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820882608 587079499 /nfs/dbraw/zinc/07/94/99/587079499.db2.gz VFOPOQKVLODJLJ-QMMMGPOBSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000820882607 587079679 /nfs/dbraw/zinc/07/96/79/587079679.db2.gz VFOPOQKVLODJLJ-MRVPVSSYSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000820882607 587079681 /nfs/dbraw/zinc/07/96/81/587079681.db2.gz VFOPOQKVLODJLJ-MRVPVSSYSA-N -1 3 234.328 2.757 20 0 BFADHM CCC[C@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000821014979 587088728 /nfs/dbraw/zinc/08/87/28/587088728.db2.gz MLADDOCVDMVSSR-QMMMGPOBSA-N -1 3 249.343 2.542 20 0 BFADHM CCC[C@H](C)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821016581 587088714 /nfs/dbraw/zinc/08/87/14/587088714.db2.gz XRMIGPHMFLWBAP-QMMMGPOBSA-N -1 3 249.293 2.606 20 0 BFADHM CCC[C@H](C)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821016581 587088717 /nfs/dbraw/zinc/08/87/17/587088717.db2.gz XRMIGPHMFLWBAP-QMMMGPOBSA-N -1 3 249.293 2.606 20 0 BFADHM CCC[C@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000821014979 587088730 /nfs/dbraw/zinc/08/87/30/587088730.db2.gz MLADDOCVDMVSSR-QMMMGPOBSA-N -1 3 249.343 2.542 20 0 BFADHM Cc1ccc(CC(=O)[N-]OC(C)C)cc1Cl ZINC000821213931 587102286 /nfs/dbraw/zinc/10/22/86/587102286.db2.gz NRGOIKXUUCFTAC-UHFFFAOYSA-N -1 3 241.718 2.647 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC000821212390 587102301 /nfs/dbraw/zinc/10/23/01/587102301.db2.gz BBVKYKYPMQICMI-KGLIPLIRSA-N -1 3 247.338 2.712 20 0 BFADHM Cc1c(NCCC(C)C)cccc1-c1nnn[n-]1 ZINC000822123375 587154636 /nfs/dbraw/zinc/15/46/36/587154636.db2.gz ZDENDNORHHDVGM-UHFFFAOYSA-N -1 3 245.330 2.633 20 0 BFADHM Cc1c(NCCC(C)C)cccc1-c1nn[n-]n1 ZINC000822123375 587154637 /nfs/dbraw/zinc/15/46/37/587154637.db2.gz ZDENDNORHHDVGM-UHFFFAOYSA-N -1 3 245.330 2.633 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC(C)=C(C)C ZINC000823101318 587202932 /nfs/dbraw/zinc/20/29/32/587202932.db2.gz PHIAEEGYNKJOCU-SNVBAGLBSA-N -1 3 213.321 2.827 20 0 BFADHM CCC[C@H](C)OC(=O)c1c(Cl)[n-]nc1CC ZINC000860223022 589090348 /nfs/dbraw/zinc/09/03/48/589090348.db2.gz KXERNCHXIOFAAX-ZETCQYMHSA-N -1 3 244.722 2.971 20 0 BFADHM CCC[C@H](C)OC(=O)c1c(Cl)n[n-]c1CC ZINC000860223022 589090350 /nfs/dbraw/zinc/09/03/50/589090350.db2.gz KXERNCHXIOFAAX-ZETCQYMHSA-N -1 3 244.722 2.971 20 0 BFADHM c1cc(CSCC2CC2)cc(-c2nnn[n-]2)c1 ZINC000823751349 587238962 /nfs/dbraw/zinc/23/89/62/587238962.db2.gz HBDTXBUHPCNCLI-UHFFFAOYSA-N -1 3 246.339 2.510 20 0 BFADHM c1cc(CSCC2CC2)cc(-c2nn[n-]n2)c1 ZINC000823751349 587238964 /nfs/dbraw/zinc/23/89/64/587238964.db2.gz HBDTXBUHPCNCLI-UHFFFAOYSA-N -1 3 246.339 2.510 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(F)c1SC ZINC000824356463 587267109 /nfs/dbraw/zinc/26/71/09/587267109.db2.gz QROPGCSZAQAYBP-UHFFFAOYSA-N -1 3 244.291 2.621 20 0 BFADHM C/C(=C\CN([C@H](C)c1ccco1)C1CC1)C(=O)[O-] ZINC000825730117 587334393 /nfs/dbraw/zinc/33/43/93/587334393.db2.gz RGDCZGQHYWVEKX-PFEDMVJOSA-N -1 3 249.310 2.836 20 0 BFADHM C/C(=C/CN1CCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000825741039 587335861 /nfs/dbraw/zinc/33/58/61/587335861.db2.gz HLRDCNHEPUFGIR-SEVUFMINSA-N -1 3 249.310 2.838 20 0 BFADHM C/C(=C\CN1CCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000825741040 587335890 /nfs/dbraw/zinc/33/58/90/587335890.db2.gz HLRDCNHEPUFGIR-VNKGSWCUSA-N -1 3 249.310 2.838 20 0 BFADHM C/C(=C/CN1CCc2ccccc2[C@H]1C)C(=O)[O-] ZINC000825747356 587336501 /nfs/dbraw/zinc/33/65/01/587336501.db2.gz UBCYBMXATIBIFQ-SEVUFMINSA-N -1 3 245.322 2.637 20 0 BFADHM CCCCC1(C(=O)[N-]OCC2CCC2)CC1 ZINC000826627878 587357286 /nfs/dbraw/zinc/35/72/86/587357286.db2.gz QAHBYNTWKKIOQO-UHFFFAOYSA-N -1 3 225.332 2.805 20 0 BFADHM O=C(C[C@@H]1CCCC1(F)F)[N-]OCC1CCC1 ZINC000826626859 587357295 /nfs/dbraw/zinc/35/72/95/587357295.db2.gz CDBWUXAMPPLDLH-JTQLQIEISA-N -1 3 247.285 2.660 20 0 BFADHM [O-]c1ccc(F)c(CN2CC[C@H]3C[C@H]3C2)c1F ZINC000827506028 587384286 /nfs/dbraw/zinc/38/42/86/587384286.db2.gz BIYQDHCDMREFGU-IUCAKERBSA-N -1 3 239.265 2.512 20 0 BFADHM CCCO[N-]C(=O)Nc1ccc(F)cc1Cl ZINC000828222231 587425324 /nfs/dbraw/zinc/42/53/24/587425324.db2.gz RUFKGPLUUQPNRI-UHFFFAOYSA-N -1 3 246.669 2.942 20 0 BFADHM CCCON=C([O-])N1C[C@@H](C)c2ccccc21 ZINC000828247680 587427672 /nfs/dbraw/zinc/42/76/72/587427672.db2.gz YAQMPEMJNBVENX-SNVBAGLBSA-N -1 3 234.299 2.661 20 0 BFADHM CCCO[N-]C(=O)N1C[C@@H](C)c2ccccc21 ZINC000828247680 587427674 /nfs/dbraw/zinc/42/76/74/587427674.db2.gz YAQMPEMJNBVENX-SNVBAGLBSA-N -1 3 234.299 2.661 20 0 BFADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OC1CCCC1 ZINC000828515246 587447090 /nfs/dbraw/zinc/44/70/90/587447090.db2.gz CFPPVIMWBXBPHQ-GXFFZTMASA-N -1 3 225.332 2.803 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN1C[C@@H]2CCC[C@H]21 ZINC000830363303 587547978 /nfs/dbraw/zinc/54/79/78/587547978.db2.gz RIQPRAQGDIUXRX-GXSJLCMTSA-N -1 3 249.310 2.525 20 0 BFADHM CC1=CC[C@@](C)(C(=O)[N-]OCC(C)C)CC1 ZINC000830893035 587575647 /nfs/dbraw/zinc/57/56/47/587575647.db2.gz DOGPHNDSSXBBBF-CYBMUJFWSA-N -1 3 225.332 2.827 20 0 BFADHM CCCO[N-]C(=O)Nc1cc(F)cc(Cl)c1 ZINC000831559826 587619923 /nfs/dbraw/zinc/61/99/23/587619923.db2.gz AGAPOSNICIUNHP-UHFFFAOYSA-N -1 3 246.669 2.942 20 0 BFADHM CCCON=C([O-])Nc1nc(CCC)cs1 ZINC000831616584 587624250 /nfs/dbraw/zinc/62/42/50/587624250.db2.gz FBOKFNHGJISHGC-UHFFFAOYSA-N -1 3 243.332 2.559 20 0 BFADHM CCCO[N-]C(=O)Nc1nc(CCC)cs1 ZINC000831616584 587624252 /nfs/dbraw/zinc/62/42/52/587624252.db2.gz FBOKFNHGJISHGC-UHFFFAOYSA-N -1 3 243.332 2.559 20 0 BFADHM CC(C)ON=C([O-])Nc1c(F)cccc1Cl ZINC000831636614 587625301 /nfs/dbraw/zinc/62/53/01/587625301.db2.gz CGMUQKQEPIDUJR-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1c(F)cccc1Cl ZINC000831636614 587625302 /nfs/dbraw/zinc/62/53/02/587625302.db2.gz CGMUQKQEPIDUJR-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CCCC[C@](C)(F)C(=O)Nc1ncccc1[O-] ZINC000832010446 587642543 /nfs/dbraw/zinc/64/25/43/587642543.db2.gz MWPHMTCNONDPHE-LBPRGKRZSA-N -1 3 240.278 2.644 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000832732192 587681005 /nfs/dbraw/zinc/68/10/05/587681005.db2.gz BVCNWVHQKGLNSZ-USZNOCQGSA-N -1 3 225.332 2.517 20 0 BFADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OC/C=C\Cl ZINC000832975875 587695866 /nfs/dbraw/zinc/69/58/66/587695866.db2.gz UOISCTVEPOQJOF-CLFKBASUSA-N -1 3 231.723 2.613 20 0 BFADHM O=C([N-][C@@H]1CCCc2c(F)cccc21)C(F)F ZINC000833049822 587698157 /nfs/dbraw/zinc/69/81/57/587698157.db2.gz PLRLHLZAARXKNH-SNVBAGLBSA-N -1 3 243.228 2.584 20 0 BFADHM Cc1ccc(NC([O-])=NOC2CCC2)cc1F ZINC000836198733 587828564 /nfs/dbraw/zinc/82/85/64/587828564.db2.gz HCMLFGXSQZDKKR-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC2CCC2)cc1F ZINC000836198733 587828565 /nfs/dbraw/zinc/82/85/65/587828565.db2.gz HCMLFGXSQZDKKR-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM Cc1ccc(F)c(NC([O-])=NOC2CCC2)c1 ZINC000836204517 587828848 /nfs/dbraw/zinc/82/88/48/587828848.db2.gz NVFGLMOXTXRKEA-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM Cc1ccc(F)c(NC(=O)[N-]OC2CCC2)c1 ZINC000836204517 587828849 /nfs/dbraw/zinc/82/88/49/587828849.db2.gz NVFGLMOXTXRKEA-UHFFFAOYSA-N -1 3 238.262 2.740 20 0 BFADHM [O-]C(=NOC1CCC1)Nc1cccc2cc[nH]c21 ZINC000836538909 587834845 /nfs/dbraw/zinc/83/48/45/587834845.db2.gz OZDWVDSCCMZROV-UHFFFAOYSA-N -1 3 245.282 2.774 20 0 BFADHM O=C([N-]OC1CCC1)Nc1cccc2cc[nH]c21 ZINC000836538909 587834846 /nfs/dbraw/zinc/83/48/46/587834846.db2.gz OZDWVDSCCMZROV-UHFFFAOYSA-N -1 3 245.282 2.774 20 0 BFADHM O=C([N-]OC1CCCC1)C1(C2CCC2)CCC1 ZINC000836780912 587836656 /nfs/dbraw/zinc/83/66/56/587836656.db2.gz LALHHJGEODSYBM-UHFFFAOYSA-N -1 3 237.343 2.947 20 0 BFADHM C[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1CCC[C@H](C)C1 ZINC000837156863 587856377 /nfs/dbraw/zinc/85/63/77/587856377.db2.gz TVNQKPRAKMFCQX-XHNCKOQMSA-N -1 3 237.265 2.880 20 0 BFADHM CCC[C@@H](C)OC(=O)c1cc([O-])ccc1F ZINC000837868071 587901074 /nfs/dbraw/zinc/90/10/74/587901074.db2.gz FTGTYMPLMSBEKR-MRVPVSSYSA-N -1 3 226.247 2.877 20 0 BFADHM CC[C@H](C)COC(=O)c1cc([O-])ccc1F ZINC000837867405 587901296 /nfs/dbraw/zinc/90/12/96/587901296.db2.gz BAKZSBMSZDFLQP-QMMMGPOBSA-N -1 3 226.247 2.734 20 0 BFADHM CC(C)c1cc(C(=O)[N-]c2cccnc2F)on1 ZINC000843690124 588132885 /nfs/dbraw/zinc/13/28/85/588132885.db2.gz PFCBDKJFDNOHLG-UHFFFAOYSA-N -1 3 249.245 2.584 20 0 BFADHM CCC/C=C\C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843887560 588147736 /nfs/dbraw/zinc/14/77/36/588147736.db2.gz XCPGWQOGPUOKJG-UITAMQMPSA-N -1 3 247.294 2.890 20 0 BFADHM CC/C(C)=C/C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000843888355 588147745 /nfs/dbraw/zinc/14/77/45/588147745.db2.gz FDVSPPNAKWRXBU-CMDGGOBGSA-N -1 3 247.294 2.890 20 0 BFADHM CCON(C(=O)c1cccc(C)c1[O-])C(C)C ZINC000844081712 588161696 /nfs/dbraw/zinc/16/16/96/588161696.db2.gz GUUQNIUGHXBNGG-UHFFFAOYSA-N -1 3 237.299 2.503 20 0 BFADHM CCCO[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000844082763 588162149 /nfs/dbraw/zinc/16/21/49/588162149.db2.gz GOJQMFDJGAAAEO-GHMZBOCLSA-N -1 3 213.321 2.661 20 0 BFADHM CCCO[N-]C(=O)Cc1ccc(C)cc1Cl ZINC000844086624 588164163 /nfs/dbraw/zinc/16/41/63/588164163.db2.gz VIZIOOXHWSSRKM-UHFFFAOYSA-N -1 3 241.718 2.649 20 0 BFADHM CCCO[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000844086108 588164453 /nfs/dbraw/zinc/16/44/53/588164453.db2.gz JWYQXRLARFRVKM-UHFFFAOYSA-N -1 3 235.327 2.713 20 0 BFADHM CCCO[N-]C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000844086989 588164769 /nfs/dbraw/zinc/16/47/69/588164769.db2.gz USXHEELOZDCPEA-GFCCVEGCSA-N -1 3 247.338 2.639 20 0 BFADHM CCCO[N-]C(=O)Cc1cccc(C(C)C)c1 ZINC000844089945 588166385 /nfs/dbraw/zinc/16/63/85/588166385.db2.gz AZSUTKBQZOXQAE-UHFFFAOYSA-N -1 3 235.327 2.810 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)/C(C)=C/c1cccnc1 ZINC000848120680 588358751 /nfs/dbraw/zinc/35/87/51/588358751.db2.gz MDHGLGDLOXWTQT-SERMCNLOSA-N -1 3 248.326 2.579 20 0 BFADHM CC(C)[C@@H](F)C(=O)Nc1c([O-])cccc1Cl ZINC000848139756 588360632 /nfs/dbraw/zinc/36/06/32/588360632.db2.gz CIOVVQJBJFEWKW-SECBINFHSA-N -1 3 245.681 2.978 20 0 BFADHM CCCO[N-]C(=O)CCC[Si](C)(C)C ZINC000848238695 588366867 /nfs/dbraw/zinc/36/68/67/588366867.db2.gz SREBDJJIHSCBFT-UHFFFAOYSA-N -1 3 217.385 2.563 20 0 BFADHM O=C(OCC1CC=CC1)c1cc([O-])ccc1F ZINC000849788252 588498996 /nfs/dbraw/zinc/49/89/96/588498996.db2.gz KESWPLUILQUUAR-UHFFFAOYSA-N -1 3 236.242 2.654 20 0 BFADHM CCc1n[n-]c(Cl)c1C(=O)O[C@H]1C=CCC1 ZINC000860642849 589110855 /nfs/dbraw/zinc/11/08/55/589110855.db2.gz PKOQHBJEHDESEV-ZETCQYMHSA-N -1 3 240.690 2.501 20 0 BFADHM CCc1[n-]nc(Cl)c1C(=O)O[C@H]1C=CCC1 ZINC000860642849 589110856 /nfs/dbraw/zinc/11/08/56/589110856.db2.gz PKOQHBJEHDESEV-ZETCQYMHSA-N -1 3 240.690 2.501 20 0 BFADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)c1ccco1 ZINC000861782825 589177943 /nfs/dbraw/zinc/17/79/43/589177943.db2.gz LTWVHFKRJXRYIO-SGRBOOSSSA-N -1 3 243.690 2.574 20 0 BFADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)c1ccco1 ZINC000861782823 589178187 /nfs/dbraw/zinc/17/81/87/589178187.db2.gz LTWVHFKRJXRYIO-HYYFJVDXSA-N -1 3 243.690 2.574 20 0 BFADHM O=C(/C=C/C1CCCCC1)Nc1ncccc1[O-] ZINC000118759119 589191904 /nfs/dbraw/zinc/19/19/04/589191904.db2.gz CBITYHBNEPSJBK-CMDGGOBGSA-N -1 3 246.310 2.862 20 0 BFADHM C[C@@H]1C[C@@H]1CO[N-]C(=O)CCCc1ccccc1 ZINC000863456464 589289278 /nfs/dbraw/zinc/28/92/78/589289278.db2.gz AZDHYYZPJWQWHQ-TZMCWYRMSA-N -1 3 247.338 2.713 20 0 BFADHM c1ccc([N-]c2nnc(CC3CC3)o2)cc1 ZINC000863981045 589332250 /nfs/dbraw/zinc/33/22/50/589332250.db2.gz UPHRVRAIFUABLQ-UHFFFAOYSA-N -1 3 215.256 2.766 20 0 BFADHM Fc1cccc([N-]c2nnc(C3CC3)o2)c1 ZINC000863980437 589332296 /nfs/dbraw/zinc/33/22/96/589332296.db2.gz KTACTOGGOUOPHT-UHFFFAOYSA-N -1 3 219.219 2.830 20 0 BFADHM CC/C=C(/F)C(=O)Nc1ccc(OC)cc1[O-] ZINC000867673580 589530145 /nfs/dbraw/zinc/53/01/45/589530145.db2.gz RLCYZGRHLPHJLL-RUDMXATFSA-N -1 3 239.246 2.603 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)[C@@]12C[C@@H]1CCCC2 ZINC000868522412 589562445 /nfs/dbraw/zinc/56/24/45/589562445.db2.gz HJLKJYCNWKJBKW-GVXVVHGQSA-N -1 3 225.332 2.661 20 0 BFADHM Cc1cccc(C(=O)NCCC2CCC2)c1[O-] ZINC000122579883 589605137 /nfs/dbraw/zinc/60/51/37/589605137.db2.gz ZZVDVYQRFZTHFQ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CC[C@@H](C)OC(=O)c1cn[n-]c1-c1ccco1 ZINC000869759151 589628357 /nfs/dbraw/zinc/62/83/57/589628357.db2.gz OFDWJEWADRGFLJ-MRVPVSSYSA-N -1 3 234.255 2.625 20 0 BFADHM CC[C@@H](C)OC(=O)c1c[n-]nc1-c1ccco1 ZINC000869759151 589628359 /nfs/dbraw/zinc/62/83/59/589628359.db2.gz OFDWJEWADRGFLJ-MRVPVSSYSA-N -1 3 234.255 2.625 20 0 BFADHM O=C(CCC1CC1)[N-]OCCCC(F)(F)F ZINC000871213049 589746236 /nfs/dbraw/zinc/74/62/36/589746236.db2.gz JZCMMFWWWGQDOJ-UHFFFAOYSA-N -1 3 239.237 2.567 20 0 BFADHM CCn1c(SCSC(C)(C)C)n[n-]c1=O ZINC000871638653 589780649 /nfs/dbraw/zinc/78/06/49/589780649.db2.gz JXTUUYPBOCTIMM-UHFFFAOYSA-N -1 3 247.389 2.585 20 0 BFADHM CCC[C@H](CC)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000871851817 589825770 /nfs/dbraw/zinc/82/57/70/589825770.db2.gz QGPCPLNJOORKGY-QMMMGPOBSA-N -1 3 248.286 2.526 20 0 BFADHM CCc1c(-c2ccccc2)[n-]n(C2CCC2)c1=O ZINC000871942848 589836818 /nfs/dbraw/zinc/83/68/18/589836818.db2.gz PMETVKJUWURRJW-CYBMUJFWSA-N -1 3 242.322 2.812 20 0 BFADHM CO[C@H](C)[C@@H](C)N[C@@H](C)c1cccc([O-])c1F ZINC000872073349 589863243 /nfs/dbraw/zinc/86/32/43/589863243.db2.gz PCUXKQSGZOKGHG-KXUCPTDWSA-N -1 3 241.306 2.605 20 0 BFADHM C[C@H]1CCCC[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872388068 589930368 /nfs/dbraw/zinc/93/03/68/589930368.db2.gz ATHFFHKMYQNLBF-JGVFFNPUSA-N -1 3 241.722 2.826 20 0 BFADHM CC(C)CCSc1cc(Cl)n[n-]c1=O ZINC000872468203 589942587 /nfs/dbraw/zinc/94/25/87/589942587.db2.gz SJVKZIRACACJSK-UHFFFAOYSA-N -1 3 232.736 2.974 20 0 BFADHM CC(C)[C@@]1(C)C[C@H]1Nc1cc(Cl)n[n-]c1=O ZINC000872569670 589952666 /nfs/dbraw/zinc/95/26/66/589952666.db2.gz WWBFWGZKGUWXLX-LDYMZIIASA-N -1 3 241.722 2.682 20 0 BFADHM C[C@@H](Nc1cc(Cl)n[n-]c1=O)C(C)(C)C ZINC000872587079 589954478 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247.338 2.836 20 0 BFADHM Cc1ccccc1CCC(=O)[N-]OCC(C)C ZINC000135329994 592007774 /nfs/dbraw/zinc/00/77/74/592007774.db2.gz KYZDMEPUCYZFDQ-UHFFFAOYSA-N -1 3 235.327 2.631 20 0 BFADHM Cc1cc(F)c(C[N-]C(=O)C(C)(F)F)c(F)c1 ZINC000885787827 592100702 /nfs/dbraw/zinc/10/07/02/592100702.db2.gz ZGWWBCBKZWZDJX-UHFFFAOYSA-N -1 3 249.207 2.545 20 0 BFADHM CC1(C)CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000219506402 592226188 /nfs/dbraw/zinc/22/61/88/592226188.db2.gz ZYRSTAAFSAWPRG-ZCFIWIBFSA-N -1 3 241.228 2.582 20 0 BFADHM CC(C)CN(C)Cc1cc(C(=O)[O-])ccc1F ZINC000062751611 605830571 /nfs/dbraw/zinc/83/05/71/605830571.db2.gz YDNOWKAWTNDIOA-UHFFFAOYSA-N -1 3 239.290 2.612 20 0 BFADHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C(C)C ZINC000108459824 635876001 /nfs/dbraw/zinc/87/60/01/635876001.db2.gz IVDVOUFHBFQXKO-ZDUSSCGKSA-N -1 3 230.311 2.990 20 0 BFADHM O=C(C[C@@H]1CC=CCC1)[N-]OC/C=C\Cl ZINC000936060094 633221003 /nfs/dbraw/zinc/22/10/03/633221003.db2.gz QYDFCZQTPBTMEF-ISGFRBBESA-N -1 3 229.707 2.533 20 0 BFADHM 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/nfs/dbraw/zinc/27/57/65/642275765.db2.gz MGALQWBMTNPYKI-UHFFFAOYSA-N -1 3 220.268 2.739 20 0 BFADHM CCCCOC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919329321 642327751 /nfs/dbraw/zinc/32/77/51/642327751.db2.gz WKOLBFYYIKLFPD-UHFFFAOYSA-N -1 3 248.282 2.935 20 0 BFADHM CCCCOC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919329321 642327754 /nfs/dbraw/zinc/32/77/54/642327754.db2.gz WKOLBFYYIKLFPD-UHFFFAOYSA-N -1 3 248.282 2.935 20 0 BFADHM CCCCCCC(=O)[N-]OCCC(F)(F)F ZINC000155077419 642382112 /nfs/dbraw/zinc/38/21/12/642382112.db2.gz XJXBVWWMWOVFSR-UHFFFAOYSA-N -1 3 241.253 2.957 20 0 BFADHM CC(C)OCC/N=C/c1cc(Cl)ccc1[O-] ZINC000182166867 642964017 /nfs/dbraw/zinc/96/40/17/642964017.db2.gz IFFOLOVUEHCTDJ-RIYZIHGNSA-N -1 3 241.718 2.890 20 0 BFADHM CO[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000198939821 644128025 /nfs/dbraw/zinc/12/80/25/644128025.db2.gz IWQYCFPPHDVRHU-UHFFFAOYSA-N -1 3 245.278 2.557 20 0 BFADHM CCc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000774865358 644699227 /nfs/dbraw/zinc/69/92/27/644699227.db2.gz GWXPBWWZVGWBFU-UHFFFAOYSA-N -1 3 247.338 2.782 20 0 BFADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OCC1CC1 ZINC000817368636 644977635 /nfs/dbraw/zinc/97/76/35/644977635.db2.gz XSKOSVVKAIXCAQ-ZYHUDNBSSA-N -1 3 225.332 2.661 20 0 BFADHM C[C@@H](N[C@@H](C)c1cc([O-])cc(F)c1)C(F)F ZINC000926867494 645466231 /nfs/dbraw/zinc/46/62/31/645466231.db2.gz VLQQMMHKLGTSCW-NKWVEPMBSA-N -1 3 233.233 2.836 20 0 BFADHM CCO[N-]C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000929716859 646269851 /nfs/dbraw/zinc/26/98/51/646269851.db2.gz ZUIZRGFOCIEJQN-GFCCVEGCSA-N -1 3 211.305 2.581 20 0 BFADHM [O-]c1ccc(CN[C@@H]2CCCC2(F)F)cc1F ZINC000398110863 711402183 /nfs/dbraw/zinc/40/21/83/711402183.db2.gz NXOYMWDHVRLIHF-LLVKDONJSA-N -1 3 245.244 2.809 20 0 BFADHM CC[C@@H]1C[C@H]1COc1ccc2c([O-])coc2c1 ZINC000723112206 711504641 /nfs/dbraw/zinc/50/46/41/711504641.db2.gz KWRCQTOLGDYMCR-ZJUUUORDSA-N -1 3 232.279 2.687 20 0 BFADHM O=C([N-]OC1CCCC1)[C@]12C[C@H]1CCCC2 ZINC000710586847 712263095 /nfs/dbraw/zinc/26/30/95/712263095.db2.gz 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245.244 2.762 20 0 BFADHM O=C(/C=C/c1ccc[nH]1)Nc1ccc(F)c([O-])c1 ZINC001177934975 978478028 /nfs/dbraw/zinc/47/80/28/978478028.db2.gz DAYCOVGSFIMFRH-GQCTYLIASA-N -1 3 246.241 2.511 20 0 BFADHM [S-]c1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC001233259381 978516478 /nfs/dbraw/zinc/51/64/78/978516478.db2.gz QILDPFDZHMRHGP-UHFFFAOYSA-N -1 3 249.379 2.588 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC[C@@H]3C[C@@H]32)c1F ZINC001233396861 978596889 /nfs/dbraw/zinc/59/68/89/978596889.db2.gz ZWMYVEOBDOWZIW-KCJUWKMLSA-N -1 3 239.265 2.655 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)C(C)(C)C ZINC001233395926 978600445 /nfs/dbraw/zinc/60/04/45/978600445.db2.gz ZORADONUUMKJSR-UHFFFAOYSA-N -1 3 229.270 2.901 20 0 BFADHM C[C@H]1CCC[C@H]1Oc1ccc2occ([O-])c2c1 ZINC001233679070 978672055 /nfs/dbraw/zinc/67/20/55/978672055.db2.gz YWXSGDIOEMVSGB-TVQRCGJNSA-N -1 3 232.279 2.829 20 0 BFADHM CCC(CC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001249929261 978699298 /nfs/dbraw/zinc/69/92/98/978699298.db2.gz YQUOUWJTWGUQQG-UHFFFAOYSA-N -1 3 230.315 2.845 20 0 BFADHM CCC(CC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001249929261 978699302 /nfs/dbraw/zinc/69/93/02/978699302.db2.gz YQUOUWJTWGUQQG-UHFFFAOYSA-N -1 3 230.315 2.845 20 0 BFADHM Cc1nocc1[N-]C(=O)c1cc(F)ccc1F ZINC001277810822 978709416 /nfs/dbraw/zinc/70/94/16/978709416.db2.gz GSYLSKQJIUHJTA-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM [O-]c1cccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1F ZINC001233871555 978720192 /nfs/dbraw/zinc/72/01/92/978720192.db2.gz PZZWFAZMMPXRTC-YGOYTEALSA-N -1 3 220.243 2.875 20 0 BFADHM CO[C@H]1CCCC[C@@H]1Oc1cccc([O-])c1F ZINC001233870253 978720659 /nfs/dbraw/zinc/72/06/59/978720659.db2.gz YSXVXDNLZRAWSJ-QWRGUYRKSA-N -1 3 240.274 2.868 20 0 BFADHM [O-]c1cc(Cl)cc(F)c1OC1CCOCC1 ZINC001234444242 978836866 /nfs/dbraw/zinc/83/68/66/978836866.db2.gz MKGGZVGTWWNLJI-UHFFFAOYSA-N -1 3 246.665 2.743 20 0 BFADHM [O-]c1cccc2[nH]c(O[C@@H]3C=CCCC3)nc21 ZINC001234447161 978838422 /nfs/dbraw/zinc/83/84/22/978838422.db2.gz KGLPHNJMZOAGHX-SECBINFHSA-N -1 3 230.267 2.756 20 0 BFADHM [O-]c1cccc2[nH]c(O[C@@H]3C[C@H]4CC[C@@H]3C4)nc21 ZINC001234448017 978838599 /nfs/dbraw/zinc/83/85/99/978838599.db2.gz SGXODRBVPKWGAI-YGOYTEALSA-N -1 3 244.294 2.836 20 0 BFADHM [O-]c1cc(Cl)cc(F)c1OC[C@H]1CCCO1 ZINC001234448156 978839042 /nfs/dbraw/zinc/83/90/42/978839042.db2.gz PWWHWILUJWODSG-MRVPVSSYSA-N -1 3 246.665 2.743 20 0 BFADHM [O-]c1cccc2[nH]c(OC3CCCCC3)nc21 ZINC001234447640 978839897 /nfs/dbraw/zinc/83/98/97/978839897.db2.gz OUKMPXQADIDIHN-UHFFFAOYSA-N -1 3 232.283 2.980 20 0 BFADHM Cc1cnccc1Nc1ccc(C(=O)[O-])cc1 ZINC000070488812 978850294 /nfs/dbraw/zinc/85/02/94/978850294.db2.gz AYYLMBCWPCVUCG-UHFFFAOYSA-N -1 3 228.251 2.832 20 0 BFADHM Cc1cnccc1Nc1cccc(C(=O)[O-])c1 ZINC000070488813 978851403 /nfs/dbraw/zinc/85/14/03/978851403.db2.gz MDOKEWZCIUIBIN-UHFFFAOYSA-N -1 3 228.251 2.832 20 0 BFADHM C[C@H]1CC[C@@H](COc2nc3ccsc3[n-]2)O1 ZINC001234852116 978916986 /nfs/dbraw/zinc/91/69/86/978916986.db2.gz RSBDCCRVKFFTOX-YUMQZZPRSA-N -1 3 238.312 2.571 20 0 BFADHM C[C@H]1CC[C@@H](COc2nc3sccc3[n-]2)O1 ZINC001234852116 978916991 /nfs/dbraw/zinc/91/69/91/978916991.db2.gz RSBDCCRVKFFTOX-YUMQZZPRSA-N -1 3 238.312 2.571 20 0 BFADHM c1cc2nc(OC[C@@H]3CCC=CO3)[n-]c2s1 ZINC001234852968 978917586 /nfs/dbraw/zinc/91/75/86/978917586.db2.gz ZUOGBICLHITNSN-QMMMGPOBSA-N -1 3 236.296 2.696 20 0 BFADHM c1cc2[n-]c(OC[C@@H]3CCC=CO3)nc2s1 ZINC001234852968 978917593 /nfs/dbraw/zinc/91/75/93/978917593.db2.gz ZUOGBICLHITNSN-QMMMGPOBSA-N -1 3 236.296 2.696 20 0 BFADHM O=C([O-])c1c[nH]c(CN2CCCCC2)c1C1CC1 ZINC001602234780 979091620 /nfs/dbraw/zinc/09/16/20/979091620.db2.gz WDWWTFWFPGIESF-UHFFFAOYSA-N -1 3 248.326 2.576 20 0 BFADHM Nc1cc(-c2cc([O-])cc(Cl)c2)ncc1F ZINC001235898899 979190876 /nfs/dbraw/zinc/19/08/76/979190876.db2.gz NOWVAFFWGRNSQY-UHFFFAOYSA-N -1 3 238.649 2.829 20 0 BFADHM COc1cncnc1-c1cc([O-])cc(Cl)c1 ZINC001235900405 979192860 /nfs/dbraw/zinc/19/28/60/979192860.db2.gz MYCFGCPAHMLTPW-UHFFFAOYSA-N -1 3 236.658 2.511 20 0 BFADHM CCC1(CC)C[C@H]1C(=O)Nc1ncccc1[O-] ZINC001181877683 979346755 /nfs/dbraw/zinc/34/67/55/979346755.db2.gz HGICUCJGPDEJCV-VIFPVBQESA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H]1C[C@H]1CSc1ccc(-c2nnn[n-]2)cc1 ZINC001603869919 979533008 /nfs/dbraw/zinc/53/30/08/979533008.db2.gz BFZQDKSLBCAVLK-WPRPVWTQSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@H]1C[C@H]1CSc1ccc(-c2nn[n-]n2)cc1 ZINC001603869919 979533019 /nfs/dbraw/zinc/53/30/19/979533019.db2.gz BFZQDKSLBCAVLK-WPRPVWTQSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@@H]1CSc1cccc(-c2nnn[n-]2)c1 ZINC001603873361 979534066 /nfs/dbraw/zinc/53/40/66/979534066.db2.gz YBDSKWIKMDJHOF-PSASIEDQSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@@H]1CSc1cccc(-c2nn[n-]n2)c1 ZINC001603873361 979534074 /nfs/dbraw/zinc/53/40/74/979534074.db2.gz YBDSKWIKMDJHOF-PSASIEDQSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@H]1CSc1cccc(-c2nnn[n-]2)c1 ZINC001603873363 979534955 /nfs/dbraw/zinc/53/49/55/979534955.db2.gz YBDSKWIKMDJHOF-SCZZXKLOSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@@H]1C[C@H]1CSc1cccc(-c2nn[n-]n2)c1 ZINC001603873363 979534961 /nfs/dbraw/zinc/53/49/61/979534961.db2.gz YBDSKWIKMDJHOF-SCZZXKLOSA-N -1 3 246.339 2.615 20 0 BFADHM CN(Cc1ccc(F)c([O-])c1)C1CC(F)(F)C1 ZINC001236704709 979698912 /nfs/dbraw/zinc/69/89/12/979698912.db2.gz ZRDVESFDFANWMV-UHFFFAOYSA-N -1 3 245.244 2.761 20 0 BFADHM [S-]c1ccoc1CN1CCc2ccncc2C1 ZINC001237192239 979843470 /nfs/dbraw/zinc/84/34/70/979843470.db2.gz QYDWENYEXFUPIQ-UHFFFAOYSA-N -1 3 246.335 2.522 20 0 BFADHM c1ccc(-c2nnn[n-]2)c(CSC2CCC2)c1 ZINC001607124911 980087043 /nfs/dbraw/zinc/08/70/43/980087043.db2.gz HOQVVVXFQZKBFX-UHFFFAOYSA-N -1 3 246.339 2.652 20 0 BFADHM c1ccc(-c2nn[n-]n2)c(CSC2CCC2)c1 ZINC001607124911 980087054 /nfs/dbraw/zinc/08/70/54/980087054.db2.gz HOQVVVXFQZKBFX-UHFFFAOYSA-N -1 3 246.339 2.652 20 0 BFADHM O=C(Nc1cccnc1)Nc1cc(F)ccc1[O-] ZINC001185686339 980268519 /nfs/dbraw/zinc/26/85/19/980268519.db2.gz QJJMUBYUMVIWPQ-UHFFFAOYSA-N -1 3 247.229 2.570 20 0 BFADHM Cc1oncc1C=C([O-])c1cccc(F)c1 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2.911 20 0 BFADHM [O-]c1ccccc1-c1cc(-c2ccncc2)ncn1 ZINC001241008923 982102456 /nfs/dbraw/zinc/10/24/56/982102456.db2.gz MBVCSTICQNYMKW-UHFFFAOYSA-N -1 3 249.273 2.911 20 0 BFADHM CCOc1ccc(-c2ccc(C)cc2[O-])nn1 ZINC001241027768 982121618 /nfs/dbraw/zinc/12/16/18/982121618.db2.gz DZYYRFNOIUBCPH-UHFFFAOYSA-N -1 3 230.267 2.556 20 0 BFADHM Cc1ccc(-c2nccc3c2ncn3C)c([O-])c1 ZINC001241028896 982124838 /nfs/dbraw/zinc/12/48/38/982124838.db2.gz WSPBYJDVCOHWCY-UHFFFAOYSA-N -1 3 239.278 2.649 20 0 BFADHM CCc1nccnc1-c1ccc(C)cc1[O-] ZINC001241031108 982126573 /nfs/dbraw/zinc/12/65/73/982126573.db2.gz YOFYQRVACMGMJQ-UHFFFAOYSA-N -1 3 214.268 2.720 20 0 BFADHM Cc1ccc(-c2nnc(C)cc2C)c([O-])c1 ZINC001241030420 982128099 /nfs/dbraw/zinc/12/80/99/982128099.db2.gz JZWLARHVSLBFKC-UHFFFAOYSA-N -1 3 214.268 2.774 20 0 BFADHM Cc1ccc(-c2cc3c(nn2)CCC3)c([O-])c1 ZINC001241035962 982139183 /nfs/dbraw/zinc/13/91/83/982139183.db2.gz LQUHNVDQVWFWIZ-UHFFFAOYSA-N -1 3 226.279 2.646 20 0 BFADHM COc1cc(C)cc(-c2cc([O-])cc(F)c2)n1 ZINC001241256411 982394656 /nfs/dbraw/zinc/39/46/56/982394656.db2.gz UWPZARPJIJPQOY-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1cc(OC)nc(-c2cc([O-])cc(F)c2)c1 ZINC001241256440 982394994 /nfs/dbraw/zinc/39/49/94/982394994.db2.gz VXZONJOOVLGVSH-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM CC(=O)c1ccc(-c2ccc(=S)[n-]n2)cc1F ZINC001241257463 982395143 /nfs/dbraw/zinc/39/51/43/982395143.db2.gz RQPOJTIBGOIEOR-UHFFFAOYSA-N -1 3 248.282 2.774 20 0 BFADHM [O-]c1cc(F)cc(-c2ncnc3ncccc32)c1 ZINC001241258109 982395314 /nfs/dbraw/zinc/39/53/14/982395314.db2.gz VDJZRCMBXKRQAY-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM [O-]c1cc(F)cc(-c2ncnc3c2CCCC3)c1 ZINC001241256157 982395774 /nfs/dbraw/zinc/39/57/74/982395774.db2.gz OSPOZQHPXNJJKX-UHFFFAOYSA-N -1 3 244.269 2.867 20 0 BFADHM CCOc1cccc(-c2cc([O-])cc(F)c2)n1 ZINC001241256127 982396082 /nfs/dbraw/zinc/39/60/82/982396082.db2.gz NVRNBIAKXLRWMK-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM CC(C)Oc1ccc(-c2cc([O-])cc(F)c2)nn1 ZINC001241262769 982400465 /nfs/dbraw/zinc/40/04/65/982400465.db2.gz TWMHVPKVVXQBRX-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM [O-]c1cc(F)cc(-c2cnc(F)c(F)c2)c1 ZINC001241266164 982400899 /nfs/dbraw/zinc/40/08/99/982400899.db2.gz GOZBWUVVMVXHBU-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM [O-]c1cc(F)cc(-c2ccc(=S)[nH]c2)c1 ZINC001241272731 982405245 /nfs/dbraw/zinc/40/52/45/982405245.db2.gz XYMDZZWCUBHQCJ-UHFFFAOYSA-N -1 3 221.256 2.882 20 0 BFADHM CC(C)n1cc(-c2cc([O-])cc(F)c2)ccc1=O ZINC001241277135 982408848 /nfs/dbraw/zinc/40/88/48/982408848.db2.gz GTVXWBROBLQEOZ-UHFFFAOYSA-N -1 3 247.269 2.941 20 0 BFADHM CC(C)n1cccc(-c2cc([O-])cc(F)c2)c1=O ZINC001241280924 982420300 /nfs/dbraw/zinc/42/03/00/982420300.db2.gz ZCPAYEICZUZZHA-UHFFFAOYSA-N -1 3 247.269 2.941 20 0 BFADHM [O-]c1ccc(F)c(-c2ccn3ccnc3c2)c1F ZINC001241290714 982424589 /nfs/dbraw/zinc/42/45/89/982424589.db2.gz DSTIVEKOYHNCFK-UHFFFAOYSA-N -1 3 246.216 2.985 20 0 BFADHM C=Cc1ncc(-c2c(F)ccc([O-])c2F)cn1 ZINC001241295162 982438446 /nfs/dbraw/zinc/43/84/46/982438446.db2.gz GPFMUKCEACBVSU-UHFFFAOYSA-N -1 3 234.205 2.770 20 0 BFADHM Nc1ccccc1-c1c(F)ccc([O-])c1F ZINC001241294051 982440194 /nfs/dbraw/zinc/44/01/94/982440194.db2.gz ITJHDUMENXNAQJ-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM O=C(C[C@H]1C=CCC1)[N-]Oc1ccccc1F ZINC001352272295 982502989 /nfs/dbraw/zinc/50/29/89/982502989.db2.gz NVHDLVBLWHAUJO-JTQLQIEISA-N -1 3 235.258 2.592 20 0 BFADHM CC(C)(C)CCNc1ccc(-c2nn[n-]n2)cc1 ZINC001589127510 982626115 /nfs/dbraw/zinc/62/61/15/982626115.db2.gz VKRDAJNZCHGVCX-UHFFFAOYSA-N -1 3 245.330 2.715 20 0 BFADHM CCC[C@H](C)Sc1ccncc1-c1nnn[n-]1 ZINC001590554162 982958947 /nfs/dbraw/zinc/95/89/47/982958947.db2.gz XOUVTMSCYFKUOM-QMMMGPOBSA-N -1 3 249.343 2.542 20 0 BFADHM CCC[C@H](C)Sc1ccncc1-c1nn[n-]n1 ZINC001590554162 982958958 /nfs/dbraw/zinc/95/89/58/982958958.db2.gz XOUVTMSCYFKUOM-QMMMGPOBSA-N -1 3 249.343 2.542 20 0 BFADHM CCCSc1ccc(-c2nnn[n-]2)c(C)c1 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O=c1cc(-c2ccc3c(c2)[N-]C(=S)C3)cc[nH]1 ZINC001243430604 984940040 /nfs/dbraw/zinc/94/00/40/984940040.db2.gz UEFHYDCOOOEYTK-UHFFFAOYSA-N -1 3 242.303 2.750 20 0 BFADHM Cc1ccc(-c2cccc([O-])c2F)nc1 ZINC001243543777 985068309 /nfs/dbraw/zinc/06/83/09/985068309.db2.gz PWPTVMYKQOMFNG-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM COc1ccc(-c2cccc([O-])c2F)nc1OC ZINC001243541046 985071916 /nfs/dbraw/zinc/07/19/16/985071916.db2.gz CKAXZTVKVPDGJX-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM CCOc1ccnc(-c2cccc([O-])c2F)c1 ZINC001243544795 985072126 /nfs/dbraw/zinc/07/21/26/985072126.db2.gz YVLYACBVOQEJSD-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM Cc1ncnc(-c2cccc([O-])c2F)c1C ZINC001243541734 985078472 /nfs/dbraw/zinc/07/84/72/985078472.db2.gz FBYRVLRXECJGJP-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1cnc(-c2cccc([O-])c2F)c(C)n1 ZINC001243543364 985079587 /nfs/dbraw/zinc/07/95/87/985079587.db2.gz UKEUHICBSDRRBO-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1cc(-c2cccc([O-])c2F)nnc1C ZINC001243543595 985079739 /nfs/dbraw/zinc/07/97/39/985079739.db2.gz ULVIYQHFBFFCLE-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM CCc1ncc(F)c(-c2cccc([O-])c2F)n1 ZINC001243546489 985089133 /nfs/dbraw/zinc/08/91/33/985089133.db2.gz OAYGMRTZHAGULY-UHFFFAOYSA-N -1 3 236.221 2.690 20 0 BFADHM [O-]c1cccc(-c2cc(F)cc(F)n2)c1F ZINC001243547666 985097268 /nfs/dbraw/zinc/09/72/68/985097268.db2.gz UHMBOKLQMQMNFH-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM [O-]c1cccc(Cl)c1-c1cccn2ncnc12 ZINC001244034037 985769820 /nfs/dbraw/zinc/76/98/20/985769820.db2.gz VELXRVUYQSDFBL-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM [O-]c1cccc(Cl)c1-c1cnc2nccn2c1 ZINC001244049512 985784250 /nfs/dbraw/zinc/78/42/50/985784250.db2.gz COYZHFJESZLDQG-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(-c2ccnc(C)n2)cc([O-])c1F ZINC001244505351 986201929 /nfs/dbraw/zinc/20/19/29/986201929.db2.gz DDSMNKBVVYXRTK-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM COc1cnccc1-c1cc(C)c(F)c([O-])c1 ZINC001244515277 986214539 /nfs/dbraw/zinc/21/45/39/986214539.db2.gz ILGQIEWLZRFQRY-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1cc(-c2c[nH]cc3ncnc2-3)cc([O-])c1F ZINC001244514743 986216436 /nfs/dbraw/zinc/21/64/36/986216436.db2.gz AZUCIYJRIKEAJD-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM Cc1cc(-c2cccn3cnnc23)cc([O-])c1F ZINC001244516627 986217320 /nfs/dbraw/zinc/21/73/20/986217320.db2.gz YQYOUXWEYPOYIR-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM Cc1cc(-c2cccc3nncn32)cc([O-])c1F ZINC001244516614 986221597 /nfs/dbraw/zinc/22/15/97/986221597.db2.gz YKQHXTIVCUNFQU-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM COc1ncnc(C)c1-c1cc(C)c(F)c([O-])c1 ZINC001244521871 986225782 /nfs/dbraw/zinc/22/57/82/986225782.db2.gz XTHFTGGTTHAEHP-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM Cc1cc(-c2cc(C)c(F)c([O-])c2)c(=O)n(C)c1 ZINC001244524539 986227722 /nfs/dbraw/zinc/22/77/22/986227722.db2.gz BCSLJKYIFFSIEF-UHFFFAOYSA-N -1 3 247.269 2.514 20 0 BFADHM O=C([N-]c1cscc1Cl)c1cocn1 ZINC001462559324 986435520 /nfs/dbraw/zinc/43/55/20/986435520.db2.gz SPEFYULSKPDPMK-UHFFFAOYSA-N -1 3 228.660 2.642 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cnc2nccn2c1 ZINC001245050374 986602655 /nfs/dbraw/zinc/60/26/55/986602655.db2.gz FPWRSGUXWXRLRM-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cccc2nncn21 ZINC001245051299 986609806 /nfs/dbraw/zinc/60/98/06/986609806.db2.gz WWGDDRNVXCWZBN-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1ncc(F)c(-c2ccc([O-])cc2Cl)n1 ZINC001245081995 986646436 /nfs/dbraw/zinc/64/64/36/986646436.db2.gz PCXDZKGGGGFZIY-UHFFFAOYSA-N -1 3 238.649 2.950 20 0 BFADHM [O-]c1cccc(F)c1-c1ccc2nccn2c1 ZINC001245655314 987032376 /nfs/dbraw/zinc/03/23/76/987032376.db2.gz YNWTWZYVXAFIHK-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM [O-]c1cccc(F)c1-c1cnc2ncoc2c1 ZINC001245655219 987032415 /nfs/dbraw/zinc/03/24/15/987032415.db2.gz IDJLHBSQUPXJBJ-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM COc1cc(-c2c([O-])cccc2F)cnc1F ZINC001245657030 987040671 /nfs/dbraw/zinc/04/06/71/987040671.db2.gz ZTIHTWUQCZUFLU-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM CN(C)c1cncc(-c2c([O-])cccc2F)c1 ZINC001245656195 987041972 /nfs/dbraw/zinc/04/19/72/987041972.db2.gz JBHWVOAIMFZZBA-UHFFFAOYSA-N -1 3 232.258 2.659 20 0 BFADHM C=C/C=C\CCNC(=O)c1ccc(CC)cc1[O-] ZINC001471635372 987096821 /nfs/dbraw/zinc/09/68/21/987096821.db2.gz ZUCIIORIWNKMQQ-WAYWQWQTSA-N -1 3 245.322 2.817 20 0 BFADHM CC(C)c1ccc(C(=O)NC2(C)CC2)c([O-])c1 ZINC001116446891 987579999 /nfs/dbraw/zinc/57/99/99/987579999.db2.gz MRPMNGHFJJEDLZ-UHFFFAOYSA-N -1 3 233.311 2.798 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC(C)(C)C2(C)C)n1 ZINC001321430827 987903268 /nfs/dbraw/zinc/90/32/68/987903268.db2.gz ZOLWDPLLKZKYQH-SNVBAGLBSA-N -1 3 249.358 2.672 20 0 BFADHM CC(C)O[N-]C(=O)CCCc1ccsc1 ZINC001117816630 987940480 /nfs/dbraw/zinc/94/04/80/987940480.db2.gz DVPIOGQRKOLLKX-UHFFFAOYSA-N -1 3 227.329 2.527 20 0 BFADHM Cc1ccoc1C(=O)[N-]c1c(F)ccnc1F ZINC001324070356 988685766 /nfs/dbraw/zinc/68/57/66/988685766.db2.gz RTUZQGQDFCNCKA-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM CC(C)O[N-]C(=O)CCc1cc(Cl)cs1 ZINC001324494910 988856830 /nfs/dbraw/zinc/85/68/30/988856830.db2.gz ODEIRRGHRYHZPM-UHFFFAOYSA-N -1 3 247.747 2.790 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001324495222 988857088 /nfs/dbraw/zinc/85/70/88/988857088.db2.gz SBQMKOCOGBKHGJ-QWRGUYRKSA-N -1 3 213.321 2.659 20 0 BFADHM O=C(CC(C1CC1)C1CC1)[N-]OCCC1CC1 ZINC001324594908 988884500 /nfs/dbraw/zinc/88/45/00/988884500.db2.gz YDTRCHIKTRHNLM-UHFFFAOYSA-N -1 3 237.343 2.661 20 0 BFADHM Cc1cccc2[nH]c(Nc3cnc[n-]c3=O)cc21 ZINC001248433502 989104983 /nfs/dbraw/zinc/10/49/83/989104983.db2.gz UCMNDMCCDXRRJA-UHFFFAOYSA-N -1 3 240.266 2.716 20 0 BFADHM CC(C)(C)O[N-]C(=O)C1(C2CCC2)CCC1 ZINC001325196148 989116332 /nfs/dbraw/zinc/11/63/32/989116332.db2.gz HMRSLRBJOAZQKZ-UHFFFAOYSA-N -1 3 225.332 2.803 20 0 BFADHM CC(C)CO[N-]C(=O)CCCc1ccsc1 ZINC001325204509 989118914 /nfs/dbraw/zinc/11/89/14/989118914.db2.gz TYBJKGGZKZYMBL-UHFFFAOYSA-N -1 3 241.356 2.775 20 0 BFADHM CSc1cc(C)ccc1[N-]C(=O)c1cocn1 ZINC001525644484 990060753 /nfs/dbraw/zinc/06/07/53/990060753.db2.gz JLSPRWZGULNRIR-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM CO[N-]C(=O)CCc1ccc(F)c2ccccc12 ZINC001540656193 990634961 /nfs/dbraw/zinc/63/49/61/990634961.db2.gz NOTVZFVXQQXATF-UHFFFAOYSA-N -1 3 247.269 2.589 20 0 BFADHM [O-]c1cnccc1CN(Cc1ccco1)C1CC1 ZINC001140280865 991600910 /nfs/dbraw/zinc/60/09/10/991600910.db2.gz QUTFJGGVVYBIHV-UHFFFAOYSA-N -1 3 244.294 2.545 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC001321133567 992463430 /nfs/dbraw/zinc/46/34/30/992463430.db2.gz NSNCMNSCOZTOBW-MRVPVSSYSA-N -1 3 235.274 2.658 20 0 BFADHM CC[C@H](NC(=O)c1ccccc1[O-])[C@H]1CC1(C)C ZINC001570452597 992471321 /nfs/dbraw/zinc/47/13/21/992471321.db2.gz VWQWOPWBIUXOTL-NEPJUHHUSA-N -1 3 247.338 2.947 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@@H]1CC=CCC1 ZINC001262377428 992869197 /nfs/dbraw/zinc/86/91/97/992869197.db2.gz VCKUKMOAONIDSF-SNVBAGLBSA-N -1 3 211.305 2.579 20 0 BFADHM O=C([N-]OCC1CCC1)C12CCC(CC1)CC2 ZINC001262632435 992984307 /nfs/dbraw/zinc/98/43/07/992984307.db2.gz JGUIXSUNTQUPOS-UHFFFAOYSA-N -1 3 237.343 2.805 20 0 BFADHM CCc1ccccc1-c1ccc(=S)[n-]n1 ZINC000378724682 993202908 /nfs/dbraw/zinc/20/29/08/993202908.db2.gz APRDERYUQXPJFA-UHFFFAOYSA-N -1 3 216.309 2.995 20 0 BFADHM COc1ncccc1-c1cc([O-])cc(F)c1 ZINC000390506205 993792124 /nfs/dbraw/zinc/79/21/24/993792124.db2.gz WOZJAUGDOIQTIU-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM Cc1ccc(C(=O)NCC(C)(C)C2CC2)c([O-])c1 ZINC001304187152 995195856 /nfs/dbraw/zinc/19/58/56/995195856.db2.gz KJFRJRHVTTVLKV-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCCC[C@@H]21 ZINC001593689472 996132613 /nfs/dbraw/zinc/13/26/13/996132613.db2.gz IPOLQIKPGMORPD-DCAQKATOSA-N -1 3 249.310 2.913 20 0 BFADHM Cc1cc(F)ccc1NC([O-])=NOC(C)C ZINC000296532068 178088793 /nfs/dbraw/zinc/08/87/93/178088793.db2.gz IIEVDJMPGRUPNW-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cc(F)ccc1NC(=O)[N-]OC(C)C ZINC000296532068 178088795 /nfs/dbraw/zinc/08/87/95/178088795.db2.gz IIEVDJMPGRUPNW-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM c1csc([N-]c2ncnc3sccc32)n1 ZINC000163075403 538926602 /nfs/dbraw/zinc/92/66/02/538926602.db2.gz YNUXDFFHPIINAE-UHFFFAOYSA-N -1 3 234.309 2.891 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C)CC2)n1 ZINC000192557670 178202297 /nfs/dbraw/zinc/20/22/97/178202297.db2.gz SOIPNVABEJHFNR-JQWIXIFHSA-N -1 3 249.358 2.674 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N(C)CC(C)(C)C)n1 ZINC000279526808 178202744 /nfs/dbraw/zinc/20/27/44/178202744.db2.gz RFIOVEQLEQRBGV-SNVBAGLBSA-N -1 3 237.347 2.530 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)SCC2CC2)n1 ZINC000291592328 178202877 /nfs/dbraw/zinc/20/28/77/178202877.db2.gz QADNWLYASJMRRE-QMMMGPOBSA-N -1 3 224.329 2.695 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000625557086 343990688 /nfs/dbraw/zinc/99/06/88/343990688.db2.gz KSAARQJCGGQVHH-NXEZZACHSA-N -1 3 237.730 2.887 20 0 BFADHM C[C@H]1CC[C@H](C)N1Cc1csc(C(=O)[O-])c1 ZINC000576592439 365633711 /nfs/dbraw/zinc/63/37/11/365633711.db2.gz ZNJLEQNVOYLXES-IUCAKERBSA-N -1 3 239.340 2.819 20 0 BFADHM CCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000576643384 365647419 /nfs/dbraw/zinc/64/74/19/365647419.db2.gz TUKOHJMVHWCHRJ-UHFFFAOYSA-N -1 3 241.718 2.880 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H](C)CC2)c([O-])c1 ZINC000062927212 178389140 /nfs/dbraw/zinc/38/91/40/178389140.db2.gz VYMJWMJWAQLFIC-NSHDSACASA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc(C(=O)N(C)CC(C)C)c([O-])c1C ZINC000299344505 178376788 /nfs/dbraw/zinc/37/67/88/178376788.db2.gz SJDKDAAZHKUHDS-UHFFFAOYSA-N -1 3 235.327 2.737 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CC2)c([O-])c1 ZINC000035207587 178379547 /nfs/dbraw/zinc/37/95/47/178379547.db2.gz VDIUMVIPFAENMT-JTQLQIEISA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N2CCC3(CCC3)C2)c([O-])c1 ZINC000163120712 178385202 /nfs/dbraw/zinc/38/52/02/178385202.db2.gz QODXRLHJSKPDOB-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccc(C(=O)N2CCCC2(C)C)c([O-])c1 ZINC000063072968 178385967 /nfs/dbraw/zinc/38/59/67/178385967.db2.gz PNUIBNOFFYIXCB-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000051746432 178394205 /nfs/dbraw/zinc/39/42/05/178394205.db2.gz RIRFDYGRHDROHZ-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000019840064 178399669 /nfs/dbraw/zinc/39/96/69/178399669.db2.gz PPZCHIZYCZGNSC-VXGBXAGGSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)co1 ZINC000188948606 346852332 /nfs/dbraw/zinc/85/23/32/346852332.db2.gz LTZVNOBJJSIQPT-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM C[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000034956144 342733179 /nfs/dbraw/zinc/73/31/79/342733179.db2.gz RALLWMVAJQXVSA-GMSGAONNSA-N -1 3 216.240 2.566 20 0 BFADHM C[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000034956141 342733273 /nfs/dbraw/zinc/73/32/73/342733273.db2.gz RALLWMVAJQXVSA-XCBNKYQSSA-N -1 3 216.240 2.566 20 0 BFADHM C[C@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000034956146 342733287 /nfs/dbraw/zinc/73/32/87/342733287.db2.gz RALLWMVAJQXVSA-OIBJUYFYSA-N -1 3 216.240 2.566 20 0 BFADHM CCC(CC)NC(=O)c1cc([O-])ccc1Cl ZINC000232862373 168386308 /nfs/dbraw/zinc/38/63/08/168386308.db2.gz AEOLUYVTIRMATC-UHFFFAOYSA-N -1 3 241.718 2.964 20 0 BFADHM Cc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000109037161 342794839 /nfs/dbraw/zinc/79/48/39/342794839.db2.gz JHRFSCKVWRWHGG-UHFFFAOYSA-N -1 3 226.235 2.904 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186252868 538972166 /nfs/dbraw/zinc/97/21/66/538972166.db2.gz BJSSDKNWAYQUKY-SCVCMEIPSA-N -1 3 245.322 2.888 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC[C@@H]1CC=CCC1 ZINC000624673631 342817233 /nfs/dbraw/zinc/81/72/33/342817233.db2.gz MVMOPZOQCKEWPR-GFCCVEGCSA-N -1 3 245.322 2.787 20 0 BFADHM CC[C@@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000624983950 342840500 /nfs/dbraw/zinc/84/05/00/342840500.db2.gz VMHQJGLYVFAEMM-SNVBAGLBSA-N -1 3 221.300 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1CC2(CCC2)C1 ZINC000628010084 342870524 /nfs/dbraw/zinc/87/05/24/342870524.db2.gz IUTLSLZBCDAXPK-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CCCN(C(=O)c1c(C)cccc1[O-])C(C)C ZINC000628016126 342873200 /nfs/dbraw/zinc/87/32/00/342873200.db2.gz UKKLGHBYLGVFFN-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM CCN(CC(=O)[O-])Cc1ccc(C)cc1Cl ZINC000233424994 342905393 /nfs/dbraw/zinc/90/53/93/342905393.db2.gz IULPIFPWTQMVHK-UHFFFAOYSA-N -1 3 241.718 2.555 20 0 BFADHM CCc1[n-]n(C2CCCC2)c(=O)c1C(C)C ZINC000634588045 342933974 /nfs/dbraw/zinc/93/39/74/342933974.db2.gz HZJVCMBGWVEYDL-GFCCVEGCSA-N -1 3 222.332 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n([C@H]3CCC[C@@H](C)C3)c(=O)c21 ZINC000634599188 342987025 /nfs/dbraw/zinc/98/70/25/342987025.db2.gz COEHRJYBZDBFHS-MPPDQPJWSA-N -1 3 234.343 2.809 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000042435340 342996618 /nfs/dbraw/zinc/99/66/18/342996618.db2.gz ILQZPMMWIFCCPR-GXSJLCMTSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1[n-]n(Cc2cccc(C)c2)c(=O)c1C1CC1 ZINC000634604577 342998484 /nfs/dbraw/zinc/99/84/84/342998484.db2.gz KEXVFLBXCTWCPR-AWEZNQCLSA-N -1 3 242.322 2.739 20 0 BFADHM Cc1[n-]n(CCC(C)(C)C)c(=O)c1C1CC1 ZINC000634620345 343019305 /nfs/dbraw/zinc/01/93/05/343019305.db2.gz AJTPPWAZSXGFKQ-NSHDSACASA-N -1 3 222.332 2.667 20 0 BFADHM Cc1[n-]n([C@@H](C)C(C)(C)C)c(=O)c1C1CC1 ZINC000634630600 343039446 /nfs/dbraw/zinc/03/94/46/343039446.db2.gz ZTULFEKEGQECFL-ONGXEEELSA-N -1 3 222.332 2.665 20 0 BFADHM O=C([O-])c1ccc(CN2CCCCC2)cc1F ZINC000236462451 343098062 /nfs/dbraw/zinc/09/80/62/343098062.db2.gz UWKOHLNCGPRRNJ-UHFFFAOYSA-N -1 3 237.274 2.510 20 0 BFADHM CCCCN(C)Cc1ccsc1C(=O)[O-] ZINC000082509358 362039618 /nfs/dbraw/zinc/03/96/18/362039618.db2.gz VDUWQUOTJJFHLP-UHFFFAOYSA-N -1 3 227.329 2.678 20 0 BFADHM CCCN(C(=O)c1c(C)cccc1[O-])C1CC1 ZINC000625257312 343124016 /nfs/dbraw/zinc/12/40/16/343124016.db2.gz MTFGENOEFSBMRO-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H]1C ZINC000625283751 343219764 /nfs/dbraw/zinc/21/97/64/343219764.db2.gz DJRZJIZVGXEVQU-ONGXEEELSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361383 343255890 /nfs/dbraw/zinc/25/58/90/343255890.db2.gz YGBKDSKJBIBXRD-MRVPVSSYSA-N -1 3 225.288 2.517 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1cccc(C)c1[O-] ZINC000037173902 343337813 /nfs/dbraw/zinc/33/78/13/343337813.db2.gz FUQFNOMWZWJTJH-SNVBAGLBSA-N -1 3 235.327 2.819 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)c([O-])c1 ZINC000335705291 136335806 /nfs/dbraw/zinc/33/58/06/136335806.db2.gz ZTDXZFWYILXUBN-XVKPBYJWSA-N -1 3 241.237 2.540 20 0 BFADHM CCC1CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000042341064 343434968 /nfs/dbraw/zinc/43/49/68/343434968.db2.gz AWJAPUDLSJLTIW-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(C(=O)Nc2c(C)cccc2[O-])n1 ZINC000335898400 136359722 /nfs/dbraw/zinc/35/97/22/136359722.db2.gz NJNPFAHMZSVQGE-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000624590292 344033199 /nfs/dbraw/zinc/03/31/99/344033199.db2.gz VYWOPLMIYIUFMS-MWLCHTKSSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000185917368 343472440 /nfs/dbraw/zinc/47/24/40/343472440.db2.gz SOBDUVSATZSDNC-QWRGUYRKSA-N -1 3 233.311 2.931 20 0 BFADHM Cc1[n-]n([C@H](C)c2ccccc2)c(=O)c1C1CC1 ZINC000634599059 537833930 /nfs/dbraw/zinc/83/39/30/537833930.db2.gz ZVNQCXZOJSCQEZ-BXUZGUMPSA-N -1 3 242.322 2.992 20 0 BFADHM CC[C@H](NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC000628102347 343940948 /nfs/dbraw/zinc/94/09/48/343940948.db2.gz WFDRQECRBJDAMI-NSHDSACASA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H]1C ZINC000625763660 344067710 /nfs/dbraw/zinc/06/77/10/344067710.db2.gz QUWJAILZXHQXNG-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCC1=CCCC1 ZINC000628135082 344193855 /nfs/dbraw/zinc/19/38/55/344193855.db2.gz LZZSNVGSBKQRGP-UHFFFAOYSA-N -1 3 231.295 2.541 20 0 BFADHM CC(C)c1ccc(C(=O)N(C)C2CC2)c([O-])c1 ZINC000263812480 344524311 /nfs/dbraw/zinc/52/43/11/344524311.db2.gz UVLFVCRFVXKYAW-UHFFFAOYSA-N -1 3 233.311 2.750 20 0 BFADHM CC[C@H]1C[C@@H](C)CN1C(=O)c1c(C)cccc1[O-] ZINC000625958314 344597141 /nfs/dbraw/zinc/59/71/41/344597141.db2.gz XFULCDKAMICROP-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@H]1C ZINC000625986825 344652383 /nfs/dbraw/zinc/65/23/83/344652383.db2.gz VIZDWMDBUSWWPU-MWLCHTKSSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCC1(C)CCC1 ZINC000626015617 344671878 /nfs/dbraw/zinc/67/18/78/344671878.db2.gz DKVVHKJAUKVZLI-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM CC[C@@H](SCCc1nnn[n-]1)c1ccccc1 ZINC000603340053 349917428 /nfs/dbraw/zinc/91/74/28/349917428.db2.gz SKYQIQASRFUOGB-LLVKDONJSA-N -1 3 248.355 2.627 20 0 BFADHM CC[C@@H](SCCc1nn[n-]n1)c1ccccc1 ZINC000603340053 349917431 /nfs/dbraw/zinc/91/74/31/349917431.db2.gz SKYQIQASRFUOGB-LLVKDONJSA-N -1 3 248.355 2.627 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)C[C@H]1CC1(C)C ZINC000628167480 344877757 /nfs/dbraw/zinc/87/77/57/344877757.db2.gz PFFWFFRHEYJDGI-LLVKDONJSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C2(C)CC2)c1 ZINC000267756970 178783941 /nfs/dbraw/zinc/78/39/41/178783941.db2.gz RUCRWRBLXUVZQM-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)C2CCCC2)c1 ZINC000037022464 178784123 /nfs/dbraw/zinc/78/41/23/178784123.db2.gz AYDPTKKZRQWTLI-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CC[C@@H](C)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000124576104 345046990 /nfs/dbraw/zinc/04/69/90/345046990.db2.gz SINYNMXBCWSXPC-SNVBAGLBSA-N -1 3 233.311 2.541 20 0 BFADHM Cc1ccc(C(=O)NC2CC(C)C2)c([O-])c1C ZINC000080117139 345099625 /nfs/dbraw/zinc/09/96/25/345099625.db2.gz BQQYLCMHYGEWKH-UHFFFAOYSA-N -1 3 233.311 2.537 20 0 BFADHM Cc1ccccc1[C@@H](C)SCCc1nnn[n-]1 ZINC000603339605 349929883 /nfs/dbraw/zinc/92/98/83/349929883.db2.gz PVYMZLILYGWPAU-SNVBAGLBSA-N -1 3 248.355 2.545 20 0 BFADHM Cc1ccccc1[C@@H](C)SCCc1nn[n-]n1 ZINC000603339605 349929884 /nfs/dbraw/zinc/92/98/84/349929884.db2.gz PVYMZLILYGWPAU-SNVBAGLBSA-N -1 3 248.355 2.545 20 0 BFADHM CCc1cccc(C(=O)N2CCC2(C)C)c1[O-] ZINC000094167357 345682314 /nfs/dbraw/zinc/68/23/14/345682314.db2.gz UOFZXWRTGVZNMI-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1cccc(C(=O)N2CCC3(CCC3)C2)c1[O-] ZINC000163121728 179006822 /nfs/dbraw/zinc/00/68/22/179006822.db2.gz KUEFPGSWLKOWCJ-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000153726331 179011765 /nfs/dbraw/zinc/01/17/65/179011765.db2.gz GMMGHQHHGOLVEU-ZYHUDNBSSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000019840059 179012748 /nfs/dbraw/zinc/01/27/48/179012748.db2.gz ZUMRDLRXCZDXKB-PHIMTYICSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000019840057 179012776 /nfs/dbraw/zinc/01/27/76/179012776.db2.gz ZUMRDLRXCZDXKB-GHMZBOCLSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)CCC1CC1 ZINC000380026981 365813788 /nfs/dbraw/zinc/81/37/88/365813788.db2.gz NYXAWHUDUKHVMG-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCc2cccs2)c1 ZINC000006969036 346527708 /nfs/dbraw/zinc/52/77/08/346527708.db2.gz LRKISIOCKKRLSN-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM Cc1cccc(NC([O-])=NOC(C)C)c1F ZINC000296761900 179134808 /nfs/dbraw/zinc/13/48/08/179134808.db2.gz FTVUDVLAGJWNGJ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cccc(NC(=O)[N-]OC(C)C)c1F ZINC000296761900 179134809 /nfs/dbraw/zinc/13/48/09/179134809.db2.gz FTVUDVLAGJWNGJ-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000089265202 179135102 /nfs/dbraw/zinc/13/51/02/179135102.db2.gz GZDSZZVKVGSWGN-UHFFFAOYSA-N -1 3 234.299 2.991 20 0 BFADHM Cc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000089265202 179135104 /nfs/dbraw/zinc/13/51/04/179135104.db2.gz GZDSZZVKVGSWGN-UHFFFAOYSA-N -1 3 234.299 2.991 20 0 BFADHM CC(=O)c1cccc(NC(=O)CC2CCC2)c1[O-] ZINC000580225298 346748117 /nfs/dbraw/zinc/74/81/17/346748117.db2.gz KHYQFEMCBAEART-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)C(C)C ZINC000183068115 179160731 /nfs/dbraw/zinc/16/07/31/179160731.db2.gz LGRWCEKZXQIHRF-JTQLQIEISA-N -1 3 221.300 2.931 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CC[C@@H]1CCCO1 ZINC000271389407 179160745 /nfs/dbraw/zinc/16/07/45/179160745.db2.gz VDCIVVGAVYHVNP-NSHDSACASA-N -1 3 249.310 2.598 20 0 BFADHM CC(F)(F)CCCNC(=O)c1ccccc1[O-] ZINC000390376338 347335156 /nfs/dbraw/zinc/33/51/56/347335156.db2.gz RTRUSQFIIUJIAR-UHFFFAOYSA-N -1 3 243.253 2.557 20 0 BFADHM CCC(C)(C)NC(=O)c1c(C)cccc1[O-] ZINC000623721137 349395817 /nfs/dbraw/zinc/39/58/17/349395817.db2.gz LMNZEHCKLUXUBO-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CCN(Cc1cc([O-])cc(F)c1)CC(F)F ZINC000186417111 349428731 /nfs/dbraw/zinc/42/87/31/349428731.db2.gz OFCBPUUWNFKVBH-UHFFFAOYSA-N -1 3 233.233 2.618 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@H](C)C(C)C)c1 ZINC000606932949 350628616 /nfs/dbraw/zinc/62/86/16/350628616.db2.gz ZKUGTNJIJBQVBG-NSHDSACASA-N -1 3 249.354 2.977 20 0 BFADHM COc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000335739213 538098988 /nfs/dbraw/zinc/09/89/88/538098988.db2.gz KWUPXKSFSMTPKP-ZJUUUORDSA-N -1 3 249.310 2.776 20 0 BFADHM COc1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000177392256 365998821 /nfs/dbraw/zinc/99/88/21/365998821.db2.gz FAAJFNSHJRNDSJ-UHFFFAOYSA-N -1 3 249.291 2.715 20 0 BFADHM CC(=O)c1c([O-])cc(C)cc1Br ZINC000216569383 350777518 /nfs/dbraw/zinc/77/75/18/350777518.db2.gz MNWMSPHMVYCPRW-UHFFFAOYSA-N -1 3 229.073 2.666 20 0 BFADHM [O-]c1ccc(Sc2ncc(Cl)cn2)cc1 ZINC000039294466 352587381 /nfs/dbraw/zinc/58/73/81/352587381.db2.gz KKKHTYJKFVWRKF-UHFFFAOYSA-N -1 3 238.699 2.987 20 0 BFADHM CCN(Cc1ccoc1)Cc1nc(C)ccc1[O-] ZINC000092935803 538108188 /nfs/dbraw/zinc/10/81/88/538108188.db2.gz LVMJUNNFVINJOJ-UHFFFAOYSA-N -1 3 246.310 2.711 20 0 BFADHM CSC[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000066927248 188129160 /nfs/dbraw/zinc/12/91/60/188129160.db2.gz PMMYBFWERIGRLS-SECBINFHSA-N -1 3 239.340 2.638 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cc(F)cc(F)c1 ZINC000123383062 188154593 /nfs/dbraw/zinc/15/45/93/188154593.db2.gz FJSKYQQCUMQGRH-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC1(C)C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000162380605 188161013 /nfs/dbraw/zinc/16/10/13/188161013.db2.gz ILVSEMXJURLAIR-QMMMGPOBSA-N -1 3 223.247 2.516 20 0 BFADHM CC(C)CON=C([O-])Nc1cc(C(C)C)on1 ZINC000269663769 188197128 /nfs/dbraw/zinc/19/71/28/188197128.db2.gz HRCAFIWAYBHBAC-UHFFFAOYSA-N -1 3 241.291 2.507 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cc(C(C)C)on1 ZINC000269663769 188197130 /nfs/dbraw/zinc/19/71/30/188197130.db2.gz HRCAFIWAYBHBAC-UHFFFAOYSA-N -1 3 241.291 2.507 20 0 BFADHM CC(C)C[C@@H](C)CC(=O)Nc1ncccc1[O-] ZINC000069368980 188487930 /nfs/dbraw/zinc/48/79/30/188487930.db2.gz KPHPWRJQPLRRDF-SNVBAGLBSA-N -1 3 236.315 2.798 20 0 BFADHM [O-]c1ccc(F)c(CN[C@@H]2CCC[C@@H]2F)c1F ZINC000334537584 353925288 /nfs/dbraw/zinc/92/52/88/353925288.db2.gz QRAPJLNQSGTMLG-VHSXEESVSA-N -1 3 245.244 2.651 20 0 BFADHM CCCc1occc1C(=O)Nc1ncccc1[O-] ZINC000343676832 353961536 /nfs/dbraw/zinc/96/15/36/353961536.db2.gz PHWBYTKSDKJBJG-UHFFFAOYSA-N -1 3 246.266 2.585 20 0 BFADHM CO[C@@H]1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000334683446 354428989 /nfs/dbraw/zinc/42/89/89/354428989.db2.gz UPZKSRCHYBIUQG-WDEREUQCSA-N -1 3 249.310 2.536 20 0 BFADHM CO[C@H]1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000334683440 354429037 /nfs/dbraw/zinc/42/90/37/354429037.db2.gz UPZKSRCHYBIUQG-MNOVXSKESA-N -1 3 249.310 2.536 20 0 BFADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)C1CCC1 ZINC000334750967 354476408 /nfs/dbraw/zinc/47/64/08/354476408.db2.gz LYKZQVQGILVFJT-MRVPVSSYSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])C[C@H]1F ZINC000335097237 354637674 /nfs/dbraw/zinc/63/76/74/354637674.db2.gz JIHZZMJVUGTVHL-MWLCHTKSSA-N -1 3 243.665 2.732 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC[C@@H](CC2CC2)C1 ZINC000335103663 354687508 /nfs/dbraw/zinc/68/75/08/354687508.db2.gz NDJGZCILGHRKDJ-LBPRGKRZSA-N -1 3 245.322 2.654 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ocnc1C1CC1 ZINC000335133297 354780589 /nfs/dbraw/zinc/78/05/89/354780589.db2.gz JDLIIYGLWGNPLT-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])s1 ZINC000345925644 354809068 /nfs/dbraw/zinc/80/90/68/354809068.db2.gz KKHKOZFBBVVLJZ-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CC[C@H](C)[C@@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000345938248 354814470 /nfs/dbraw/zinc/81/44/70/354814470.db2.gz LYXAJDCTUDYOCK-WCBMZHEXSA-N -1 3 236.315 2.716 20 0 BFADHM CCC(CC)CC(=O)Nc1nc(C)ccc1[O-] ZINC000345946924 354816620 /nfs/dbraw/zinc/81/66/20/354816620.db2.gz UZWUPOPGZLSNJT-UHFFFAOYSA-N -1 3 236.315 2.860 20 0 BFADHM CCC[C@H](C)CC(=O)Nc1nc(C)ccc1[O-] ZINC000345981048 354832694 /nfs/dbraw/zinc/83/26/94/354832694.db2.gz JSGKWUHDXZLQAY-VIFPVBQESA-N -1 3 236.315 2.860 20 0 BFADHM CCc1[n-][nH]c(=NC(=O)C2=CCCCCC2)c1C ZINC000335167541 354927586 /nfs/dbraw/zinc/92/75/86/354927586.db2.gz ABBINEBDXQXYAN-UHFFFAOYSA-N -1 3 247.342 2.531 20 0 BFADHM C[C@H]1CC(C)(C)CN1C(=O)c1ccccc1[O-] ZINC000335199228 355031693 /nfs/dbraw/zinc/03/16/93/355031693.db2.gz SSWAVZPLTHPBRK-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1C[C@H]1CC(=O)Nc1cccc([O-])c1F ZINC000335185382 355084199 /nfs/dbraw/zinc/08/41/99/355084199.db2.gz CFYCHFBHBUDRMA-SFYZADRCSA-N -1 3 223.247 2.516 20 0 BFADHM O=C(CC(F)(F)F)[N-]C1(C(F)(F)F)CCC1 ZINC000349484890 355388283 /nfs/dbraw/zinc/38/82/83/355388283.db2.gz FUTAPKWGKSRTMJ-UHFFFAOYSA-N -1 3 249.154 2.540 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccco1 ZINC000608349048 355361890 /nfs/dbraw/zinc/36/18/90/355361890.db2.gz RZOUQYSAQKMOIX-VIFPVBQESA-N -1 3 231.251 2.727 20 0 BFADHM C[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350150992 355616337 /nfs/dbraw/zinc/61/63/37/355616337.db2.gz WSWGULJMDFPUFT-VIFPVBQESA-N -1 3 241.281 2.902 20 0 BFADHM CCN(Cc1ccccc1Cl)[C@@H](C)C(=O)[O-] ZINC000236980765 363462859 /nfs/dbraw/zinc/46/28/59/363462859.db2.gz TUMPVIISZHLDDS-VIFPVBQESA-N -1 3 241.718 2.635 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccs2)n1 ZINC000167606938 356424213 /nfs/dbraw/zinc/42/42/13/356424213.db2.gz KUZBQTBRKHDVGE-PLNGDYQASA-N -1 3 218.281 2.723 20 0 BFADHM Cc1cc(C(=O)N[C@H](C(C)C)C2CC2)ccc1[O-] ZINC000323965731 356666894 /nfs/dbraw/zinc/66/68/94/356666894.db2.gz UIKFLZPVKLGTTM-CQSZACIVSA-N -1 3 247.338 2.865 20 0 BFADHM C[C@@H](NCc1cc([O-])cc(F)c1)C(C)(F)F ZINC000389488372 356692252 /nfs/dbraw/zinc/69/22/52/356692252.db2.gz OTURKVRSLWORDI-SSDOTTSWSA-N -1 3 233.233 2.665 20 0 BFADHM CC[C@@H](NC(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000324142040 356747326 /nfs/dbraw/zinc/74/73/26/356747326.db2.gz WAVADXPCIFIYKO-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@H](C)C2)sc1C ZINC000450470029 202174398 /nfs/dbraw/zinc/17/43/98/202174398.db2.gz SKFJSQYVNJMAOZ-XVKPBYJWSA-N -1 3 238.356 2.677 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1c(C)cccc1[O-] ZINC000626504327 357139718 /nfs/dbraw/zinc/13/97/18/357139718.db2.gz HOOZGTQANYVUDQ-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1occc1C(=O)Nc1ccccc1[O-] ZINC000024151327 357162465 /nfs/dbraw/zinc/16/24/65/357162465.db2.gz PBHMELNVPWKONP-UHFFFAOYSA-N -1 3 217.224 2.546 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC2(C1)CCCC2 ZINC000626522571 357173935 /nfs/dbraw/zinc/17/39/35/357173935.db2.gz VLTVNSJLJGCPQY-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000626529059 357260075 /nfs/dbraw/zinc/26/00/75/357260075.db2.gz ILTRTPWFCXOBBY-NEPJUHHUSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1oc(CN2[C@H](C)CC[C@@H]2C)cc1C(=O)[O-] ZINC000583698731 357272876 /nfs/dbraw/zinc/27/28/76/357272876.db2.gz NACPHBUPLDHTRC-DTORHVGOSA-N -1 3 237.299 2.659 20 0 BFADHM CCc1ccc(C(=O)N2C3CCC2CC3)c([O-])c1 ZINC000530325063 357399436 /nfs/dbraw/zinc/39/94/36/357399436.db2.gz AEQFYBUBRQKKIZ-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM CC[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000011961962 357463399 /nfs/dbraw/zinc/46/33/99/357463399.db2.gz QRQFPTQTXQYUBS-JTQLQIEISA-N -1 3 237.299 2.742 20 0 BFADHM Cc1ccc([O-])c(CN[C@H](C)CC(F)(F)F)n1 ZINC000231751324 357624813 /nfs/dbraw/zinc/62/48/13/357624813.db2.gz GLCIUKOWWCPDOA-MRVPVSSYSA-N -1 3 248.248 2.526 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000189798163 357662285 /nfs/dbraw/zinc/66/22/85/357662285.db2.gz BYFRXLXHCGZJDG-MRVPVSSYSA-N -1 3 225.263 2.906 20 0 BFADHM CC[C@@H](C)c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000628433187 357991288 /nfs/dbraw/zinc/99/12/88/357991288.db2.gz HTTMXWOMFDAKFC-SECBINFHSA-N -1 3 244.298 2.571 20 0 BFADHM CC[C@@H](C)c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000628433187 357991292 /nfs/dbraw/zinc/99/12/92/357991292.db2.gz HTTMXWOMFDAKFC-SECBINFHSA-N -1 3 244.298 2.571 20 0 BFADHM CC[C@@H](C)c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000628433187 357991295 /nfs/dbraw/zinc/99/12/95/357991295.db2.gz HTTMXWOMFDAKFC-SECBINFHSA-N -1 3 244.298 2.571 20 0 BFADHM Cc1oc(CN2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000035432149 357992027 /nfs/dbraw/zinc/99/20/27/357992027.db2.gz TXYYZOUXGKKNKB-SECBINFHSA-N -1 3 237.299 2.661 20 0 BFADHM CC[C@H]1CCCN(Cc2occc2C(=O)[O-])C1 ZINC000036170045 358012098 /nfs/dbraw/zinc/01/20/98/358012098.db2.gz RGIHLHTXZREHHB-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM CC[C@@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000037023520 358063905 /nfs/dbraw/zinc/06/39/05/358063905.db2.gz DDVZKESBEMVCAK-SNVBAGLBSA-N -1 3 221.300 2.571 20 0 BFADHM CC1=CCN(CCc2ccccc2C(=O)[O-])CC1 ZINC000584785518 358175054 /nfs/dbraw/zinc/17/50/54/358175054.db2.gz LAYXPZKKRWKNQL-UHFFFAOYSA-N -1 3 245.322 2.579 20 0 BFADHM CCCn1c(S[C@H](C)CC(C)C)n[n-]c1=O ZINC000450678437 202232442 /nfs/dbraw/zinc/23/24/42/202232442.db2.gz TVWFCLPSAHIIQY-SECBINFHSA-N -1 3 243.376 2.920 20 0 BFADHM CC(C)CN(Cc1ccoc1C(=O)[O-])C1CC1 ZINC000042557954 358351592 /nfs/dbraw/zinc/35/15/92/358351592.db2.gz VDAATNBIHIEGAI-UHFFFAOYSA-N -1 3 237.299 2.598 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000134278456 358785839 /nfs/dbraw/zinc/78/58/39/358785839.db2.gz CXCCZZMTTMLVHF-FZMZJTMJSA-N -1 3 245.322 2.797 20 0 BFADHM Cc1ccc(C)c(C(=O)Nc2ncccc2[O-])c1 ZINC000073050314 359095654 /nfs/dbraw/zinc/09/56/54/359095654.db2.gz GBHHNRRQGXOHEJ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)C[C@H]1C ZINC000247045908 359190011 /nfs/dbraw/zinc/19/00/11/359190011.db2.gz WMOQVVBCSIROBR-WZRBSPASSA-N -1 3 247.338 2.947 20 0 BFADHM CSc1ccc([O-])c(C(=O)NC2CC=CC2)c1 ZINC000612379333 359822379 /nfs/dbraw/zinc/82/23/79/359822379.db2.gz YRELWORWUPRCGI-UHFFFAOYSA-N -1 3 249.335 2.563 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@H]3C[C@@H]3C)no2)c1 ZINC000088055525 359934384 /nfs/dbraw/zinc/93/43/84/359934384.db2.gz QEHDZXSKGMGNBS-IUCAKERBSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1ccc(NC(=O)C[C@H]2CCCCO2)c([O-])c1 ZINC000088239518 359942688 /nfs/dbraw/zinc/94/26/88/359942688.db2.gz DAVHLGZCIRGGMZ-LLVKDONJSA-N -1 3 249.310 2.598 20 0 BFADHM Cc1cc([C@@H](C)N2CC[C@H](C)C2)oc1C(=O)[O-] ZINC000578899736 366671048 /nfs/dbraw/zinc/67/10/48/366671048.db2.gz DHTYEAJGOAOKPP-WCBMZHEXSA-N -1 3 237.299 2.689 20 0 BFADHM CC(C)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000088845491 359980952 /nfs/dbraw/zinc/98/09/52/359980952.db2.gz RCIVIXMOSKWLAC-LBPRGKRZSA-N -1 3 233.311 2.653 20 0 BFADHM CC1(C)C(NC(=O)c2cccc([O-])c2)C1(C)C ZINC000092819697 360202541 /nfs/dbraw/zinc/20/25/41/360202541.db2.gz VSHACJYSOYABCE-UHFFFAOYSA-N -1 3 233.311 2.557 20 0 BFADHM CCc1ccc([O-])c(C(=O)Nc2cccnc2)c1 ZINC000093900691 360290197 /nfs/dbraw/zinc/29/01/97/360290197.db2.gz LPAPQXQEFGRTDF-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])ns1 ZINC000096782668 360353920 /nfs/dbraw/zinc/35/39/20/360353920.db2.gz NPJBAHPVFKCMCO-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccsc1CNC(=O)c1cccc([O-])c1 ZINC000094879015 360324919 /nfs/dbraw/zinc/32/49/19/360324919.db2.gz VKEBXUHIZKUDRS-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM NC(=O)c1cccc(-c2cc([O-])cc(Cl)c2)c1 ZINC000065343245 181302641 /nfs/dbraw/zinc/30/26/41/181302641.db2.gz JRXUZLYOVZRANW-UHFFFAOYSA-N -1 3 247.681 2.812 20 0 BFADHM CC(F)(F)CCC(=O)Nc1ccccc1[O-] ZINC000613197433 360735173 /nfs/dbraw/zinc/73/51/73/360735173.db2.gz RWILBRYPFYPNBF-UHFFFAOYSA-N -1 3 229.226 2.766 20 0 BFADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@@H]2CCC[C@H]21 ZINC000629373587 361023443 /nfs/dbraw/zinc/02/34/43/361023443.db2.gz KAGLHVVLWYAVGJ-BFHYXJOUSA-N -1 3 249.354 2.672 20 0 BFADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@H]2CCC[C@@H]21 ZINC000629373588 361023837 /nfs/dbraw/zinc/02/38/37/361023837.db2.gz KAGLHVVLWYAVGJ-MCIONIFRSA-N -1 3 249.354 2.672 20 0 BFADHM CCc1ccsc1C(=O)Nc1ncccc1[O-] ZINC000180999120 366779924 /nfs/dbraw/zinc/77/99/24/366779924.db2.gz CHUCJGPJUMZKLP-UHFFFAOYSA-N -1 3 248.307 2.663 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1C ZINC000436562061 201332176 /nfs/dbraw/zinc/33/21/76/201332176.db2.gz IOIGCCASPRCTEA-ONGXEEELSA-N -1 3 247.338 2.880 20 0 BFADHM CCc1cc(C(=O)N2CCC[C@@H]2CC)ccc1[O-] ZINC000436692163 201333332 /nfs/dbraw/zinc/33/33/32/201333332.db2.gz WQTKDWMIWAFSSS-ZDUSSCGKSA-N -1 3 247.338 2.969 20 0 BFADHM CNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436704152 201333664 /nfs/dbraw/zinc/33/36/64/201333664.db2.gz OFSTWLVHBPBAHQ-UHFFFAOYSA-N -1 3 235.327 2.999 20 0 BFADHM O=C(NC1CCC2(CC2)CC1)c1ccccc1[O-] ZINC000436861271 201338211 /nfs/dbraw/zinc/33/82/11/201338211.db2.gz SBZYCHPBRZDPTA-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM CCc1ccc(C(=O)N(C)[C@H](C)CC)c([O-])c1 ZINC000436828255 201338389 /nfs/dbraw/zinc/33/83/89/201338389.db2.gz XRSMPVXHLKBDOA-SNVBAGLBSA-N -1 3 235.327 2.825 20 0 BFADHM C/C=C(\C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436908199 201340399 /nfs/dbraw/zinc/34/03/99/201340399.db2.gz URGDIXLDLPPPGK-XBXARRHUSA-N -1 3 246.266 2.874 20 0 BFADHM CCc1ccc(C(=O)NCC=C(C)C)c([O-])c1 ZINC000436996688 201341841 /nfs/dbraw/zinc/34/18/41/201341841.db2.gz UXSKWFIYNRMSGI-UHFFFAOYSA-N -1 3 233.311 2.651 20 0 BFADHM CC(C)c1cc(C(=O)[N-]c2cc(F)ccn2)on1 ZINC000622153760 370740613 /nfs/dbraw/zinc/74/06/13/370740613.db2.gz NOOATSMGNOBVBB-UHFFFAOYSA-N -1 3 249.245 2.584 20 0 BFADHM Cc1oc([C@@H](C)N2CCC[C@H]2C)cc1C(=O)[O-] ZINC000574047113 364975698 /nfs/dbraw/zinc/97/56/98/364975698.db2.gz SWGWPEBCFQAIMZ-RKDXNWHRSA-N -1 3 237.299 2.832 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccnc1 ZINC000174062387 365470972 /nfs/dbraw/zinc/47/09/72/365470972.db2.gz TYQFSECRGDQNJR-JTQLQIEISA-N -1 3 242.278 2.529 20 0 BFADHM CC1(C)CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000360874319 366933722 /nfs/dbraw/zinc/93/37/22/366933722.db2.gz QZTRZIQBULKLKH-GFCCVEGCSA-N -1 3 247.338 2.948 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@@H]1C1CC1 ZINC000183285456 367010316 /nfs/dbraw/zinc/01/03/16/367010316.db2.gz VVWKZGLISCQNKB-NXEZZACHSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1cccc(NCc2cc([O-])cc(F)c2)n1 ZINC000185478006 367132859 /nfs/dbraw/zinc/13/28/59/367132859.db2.gz CCRDGLORAXGSAJ-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM CC(C)O[N-]C(=O)/C=C/c1cccc(Cl)c1 ZINC000382211335 367499719 /nfs/dbraw/zinc/49/97/19/367499719.db2.gz WJIVNSTZOHBJST-VOTSOKGWSA-N -1 3 239.702 2.809 20 0 BFADHM CC/C=C\CNC(=O)c1cc([O-])ccc1Cl ZINC000385052762 367781136 /nfs/dbraw/zinc/78/11/36/367781136.db2.gz SWKZNQRTFVFZML-ARJAWSKDSA-N -1 3 239.702 2.742 20 0 BFADHM C[C@@H](N(C)Cc1occc1C(=O)[O-])C1(C)CC1 ZINC000385210741 367809396 /nfs/dbraw/zinc/80/93/96/367809396.db2.gz WXEABIXIMITZTO-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM CN(Cc1cc(C(=O)[O-])co1)CC1CCCC1 ZINC000110837885 368819145 /nfs/dbraw/zinc/81/91/45/368819145.db2.gz FCYNRKDUHHVFFV-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccccc1[O-] ZINC000457462900 203066108 /nfs/dbraw/zinc/06/61/08/203066108.db2.gz UDTBEPYJUFNZAJ-ZETCQYMHSA-N -1 3 247.216 2.919 20 0 BFADHM Cc1occc1CNC(=O)c1cccc(C)c1[O-] ZINC000618834313 369224360 /nfs/dbraw/zinc/22/43/60/369224360.db2.gz ZRCRWGADLVYZOV-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM CCc1cc(C(=O)NC2CC(C)(C)C2)ccc1[O-] ZINC000620736457 369984204 /nfs/dbraw/zinc/98/42/04/369984204.db2.gz SPJNGVRGKHWZQB-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM Cc1ccc(C(=O)N(C)C[C@@H]2CC2(C)C)c([O-])c1 ZINC000621049074 370081860 /nfs/dbraw/zinc/08/18/60/370081860.db2.gz DXJBIVVPPXGXLZ-NSHDSACASA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc(C(=O)N(C)C[C@H]2CC2(C)C)c1[O-] ZINC000621053416 370086991 /nfs/dbraw/zinc/08/69/91/370086991.db2.gz BWQHKYWWTOTAGK-LLVKDONJSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)CCC(C)C ZINC000623932263 371161970 /nfs/dbraw/zinc/16/19/70/371161970.db2.gz GNYUTVLFYBQYAL-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000624075184 371292736 /nfs/dbraw/zinc/29/27/36/371292736.db2.gz YSFZFRICUFZVKQ-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000627724829 371896947 /nfs/dbraw/zinc/89/69/47/371896947.db2.gz IUWMJLUILFNFKA-WOPDTQHZSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@]1(C)CC=CCC1 ZINC000627725375 371898515 /nfs/dbraw/zinc/89/85/15/371898515.db2.gz HAQCUAHWOGPRPD-HNNXBMFYSA-N -1 3 245.322 2.929 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000627777775 371972922 /nfs/dbraw/zinc/97/29/22/371972922.db2.gz PBTAWIFYLRMAEV-SRVKXCTJSA-N -1 3 247.338 2.817 20 0 BFADHM O=C([N-]C1(c2cccc(Cl)c2)CC1)C(F)F ZINC000279189252 182090357 /nfs/dbraw/zinc/09/03/57/182090357.db2.gz MVOANNKWSWTYHD-UHFFFAOYSA-N -1 3 245.656 2.710 20 0 BFADHM C[C@H]1CCCCCN1C(=O)c1cccc([O-])c1 ZINC000070410739 374141788 /nfs/dbraw/zinc/14/17/88/374141788.db2.gz XJFAPDWNYRUHHI-NSHDSACASA-N -1 3 233.311 2.797 20 0 BFADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000166850949 206141512 /nfs/dbraw/zinc/14/15/12/206141512.db2.gz UVZFJADSBZPJTF-UTUOFQBUSA-N -1 3 247.338 2.899 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])C1CC=CC1 ZINC000077613406 182348287 /nfs/dbraw/zinc/34/82/87/182348287.db2.gz XPRHHTRIZLSCPI-UHFFFAOYSA-N -1 3 237.686 2.950 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000267370814 182349678 /nfs/dbraw/zinc/34/96/78/182349678.db2.gz RQPLOQLCEBTHIV-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1[C@@H]2CCCC[C@H]12 ZINC000080035869 182349761 /nfs/dbraw/zinc/34/97/61/182349761.db2.gz XUAKYXBJOQRXRO-HWYHXSKPSA-N -1 3 249.285 2.906 20 0 BFADHM O=C(Nc1cc(F)cc(F)c1)c1cccc([O-])c1 ZINC000019840189 182349974 /nfs/dbraw/zinc/34/99/74/182349974.db2.gz DEZSWAWOVOLZLH-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM O=C([N-]c1ccsc1Cl)c1cnns1 ZINC000335875551 182391397 /nfs/dbraw/zinc/39/13/97/182391397.db2.gz XYKVYJXAWAEKTR-UHFFFAOYSA-N -1 3 245.716 2.505 20 0 BFADHM O=c1[n-]c(-c2ccco2)nc2cc(Cl)ccc12 ZINC000339564424 183008657 /nfs/dbraw/zinc/00/86/57/183008657.db2.gz VPUJKECHRIHMSM-UHFFFAOYSA-N -1 3 246.653 2.837 20 0 BFADHM CCCCn1c(=O)[n-]nc1SCC=C(C)C ZINC000339038300 169035520 /nfs/dbraw/zinc/03/55/20/169035520.db2.gz JHPMDIRPTIRRFV-UHFFFAOYSA-N -1 3 241.360 2.842 20 0 BFADHM CCCN(CC(C)C)C(=O)c1cccc([O-])c1 ZINC000272709295 169106012 /nfs/dbraw/zinc/10/60/12/169106012.db2.gz CEBHCOKSCDGJAX-UHFFFAOYSA-N -1 3 235.327 2.900 20 0 BFADHM [O-]c1ccc(-c2noc([C@H]3CC3(F)F)n2)cc1 ZINC000296061514 183266433 /nfs/dbraw/zinc/26/64/33/183266433.db2.gz XFELXPNENDZLJZ-MRVPVSSYSA-N -1 3 238.193 2.565 20 0 BFADHM CCCN(CC1CC1)C(=O)c1cccc([O-])c1 ZINC000042204017 169136120 /nfs/dbraw/zinc/13/61/20/169136120.db2.gz VPIPMNXOKHMEJR-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM [O-]c1cc(F)cc(CN2CCC=C(F)C2)c1 ZINC000274464421 183258375 /nfs/dbraw/zinc/25/83/75/183258375.db2.gz IJODIGHESAPAJW-UHFFFAOYSA-N -1 3 225.238 2.590 20 0 BFADHM [O-]c1ccccc1-c1nc(CCC2CC2)no1 ZINC000273910340 183299933 /nfs/dbraw/zinc/29/99/33/183299933.db2.gz GHVUPUUTXAAISN-UHFFFAOYSA-N -1 3 230.267 2.785 20 0 BFADHM [O-]c1cncc(-c2ccc(F)cc2F)c1 ZINC000065339067 183305333 /nfs/dbraw/zinc/30/53/33/183305333.db2.gz AZPPJBONYYWHTR-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000019838073 169368206 /nfs/dbraw/zinc/36/82/06/169368206.db2.gz DKFDMOCDIRGAAH-SNVBAGLBSA-N -1 3 221.300 2.619 20 0 BFADHM CCC[C@@H](CC)NC(=O)c1cccc([O-])c1 ZINC000050406260 169378549 /nfs/dbraw/zinc/37/85/49/169378549.db2.gz YOYOHHYUHSCENX-LLVKDONJSA-N -1 3 221.300 2.701 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000087777647 383863737 /nfs/dbraw/zinc/86/37/37/383863737.db2.gz ZAXCMCODIHSEQR-DGCLKSJQSA-N -1 3 245.322 2.797 20 0 BFADHM Cc1cccc(-c2nc([C@H]3CCCO3)no2)c1[O-] ZINC000087803791 383866976 /nfs/dbraw/zinc/86/69/76/383866976.db2.gz OPQNSDCLXRJAIF-SNVBAGLBSA-N -1 3 246.266 2.602 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@@H]2C)c1 ZINC000088707535 383916991 /nfs/dbraw/zinc/91/69/91/383916991.db2.gz KZJVMXADYJNJSX-NEPJUHHUSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CC[C@H]2C)c1 ZINC000088707537 383917302 /nfs/dbraw/zinc/91/73/02/383917302.db2.gz KZJVMXADYJNJSX-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM CCN(CC1CC1)C(=O)c1cc(C)ccc1[O-] ZINC000069238624 384034448 /nfs/dbraw/zinc/03/44/48/384034448.db2.gz DFADCISNIWZBOV-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM O=C(c1c([O-])cccc1O)N1CCCCCCC1 ZINC000092103455 384161561 /nfs/dbraw/zinc/16/15/61/384161561.db2.gz OQAATGVMVAULJY-UHFFFAOYSA-N -1 3 249.310 2.504 20 0 BFADHM C[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000230687962 259648966 /nfs/dbraw/zinc/64/89/66/259648966.db2.gz NGASQKXAPWBNPG-WDEREUQCSA-N -1 3 233.311 2.558 20 0 BFADHM CC[C@@H](C)CN(CC)C(=O)c1cccc([O-])c1 ZINC000093263909 384224191 /nfs/dbraw/zinc/22/41/91/384224191.db2.gz IXGBNBPUHJJVMV-LLVKDONJSA-N -1 3 235.327 2.900 20 0 BFADHM CN(CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC000082717605 384259457 /nfs/dbraw/zinc/25/94/57/384259457.db2.gz NSVIHSFYVCXBAU-UHFFFAOYSA-N -1 3 248.109 2.510 20 0 BFADHM Cc1cc(C(=O)NC2(C(C)C)CC2)ccc1[O-] ZINC000294045435 384281331 /nfs/dbraw/zinc/28/13/31/384281331.db2.gz XTNHOWGAXIZBES-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H](C)N(CC(=O)[O-])Cc1sccc1C ZINC000083406233 384297929 /nfs/dbraw/zinc/29/79/29/384297929.db2.gz DJHCDHHWDDUSQH-JTQLQIEISA-N -1 3 241.356 2.742 20 0 BFADHM CCCCN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000120035430 384324532 /nfs/dbraw/zinc/32/45/32/384324532.db2.gz QMSKZJRZVYGIOV-UHFFFAOYSA-N -1 3 235.327 2.881 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1[O-] ZINC000226713995 384330434 /nfs/dbraw/zinc/33/04/34/384330434.db2.gz LKAPAWFEKBXUTN-JTQLQIEISA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)NCC2(C)CCC2)c1[O-] ZINC000176110539 384551987 /nfs/dbraw/zinc/55/19/87/384551987.db2.gz LGECEUXGRALFIZ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM C[C@H](NCc1cccc([O-])c1Cl)C1CC1 ZINC000294074836 384589639 /nfs/dbraw/zinc/58/96/39/384589639.db2.gz KWVYJFNLBOBCLC-QMMMGPOBSA-N -1 3 225.719 2.934 20 0 BFADHM CSCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000071530193 384604083 /nfs/dbraw/zinc/60/40/83/384604083.db2.gz BBWLDNYMLRJZPS-UHFFFAOYSA-N -1 3 239.340 2.782 20 0 BFADHM CC[C@H](C)CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556894019 384618986 /nfs/dbraw/zinc/61/89/86/384618986.db2.gz IDZZANHEXWSODY-VIFPVBQESA-N -1 3 249.310 2.970 20 0 BFADHM O=C(Nc1ncccc1[O-])C1CCCCCC1 ZINC000072078831 384704345 /nfs/dbraw/zinc/70/43/45/384704345.db2.gz VQEBPSRDZXTDRW-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM Cc1ccc([O-])c(-c2nc(CC(C)C)no2)c1 ZINC000104416985 384827495 /nfs/dbraw/zinc/82/74/95/384827495.db2.gz JRZJFSROHNYXPP-UHFFFAOYSA-N -1 3 232.283 2.949 20 0 BFADHM C[C@H]1CCN(C(=O)C2CC2)c2c([O-])cccc21 ZINC000186323935 384834254 /nfs/dbraw/zinc/83/42/54/384834254.db2.gz BYNHMZHTSRTQPZ-VIFPVBQESA-N -1 3 231.295 2.642 20 0 BFADHM CC(C)(NC(=O)c1ccccc1[O-])C1CCC1 ZINC000398098700 384799875 /nfs/dbraw/zinc/79/98/75/384799875.db2.gz GTNILONHLYYWLO-UHFFFAOYSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1ccc(C(=O)NCc2cccs2)c([O-])c1 ZINC000027625488 384802196 /nfs/dbraw/zinc/80/21/96/384802196.db2.gz BHTRJNMGRZWGPX-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CS[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000557181776 384870217 /nfs/dbraw/zinc/87/02/17/384870217.db2.gz XWQVRKQTNLMNFQ-ZCFIWIBFSA-N -1 3 245.731 2.736 20 0 BFADHM CCO[N-]C(=O)/C=C(\C)c1cccc(Cl)c1 ZINC000175274747 384887136 /nfs/dbraw/zinc/88/71/36/384887136.db2.gz WXEOAIDNFXESOQ-VQHVLOKHSA-N -1 3 239.702 2.811 20 0 BFADHM CO[C@H](C)CN(C)Cc1cccc([O-])c1Cl ZINC000294078784 384863912 /nfs/dbraw/zinc/86/39/12/384863912.db2.gz YVQSRMWNYAGMBC-SECBINFHSA-N -1 3 243.734 2.512 20 0 BFADHM O=C(C1CC=CC1)N1CCCc2cccc([O-])c21 ZINC000085160055 384921645 /nfs/dbraw/zinc/92/16/45/384921645.db2.gz ZYAQPBKIGIZZGJ-UHFFFAOYSA-N -1 3 243.306 2.638 20 0 BFADHM Cc1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000094357406 384979371 /nfs/dbraw/zinc/97/93/71/384979371.db2.gz RTQZPGUFYOCVSD-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CC(=O)c1cccc(NC(=O)CC2(C)CC2)c1[O-] ZINC000518379160 385016755 /nfs/dbraw/zinc/01/67/55/385016755.db2.gz FRCLEZOINPUKFN-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H](CC)C2)c([O-])c1 ZINC000188308217 385037531 /nfs/dbraw/zinc/03/75/31/385037531.db2.gz VZRVYQIPSITUMO-LBPRGKRZSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1cccc(C(=O)Nc2ccccc2)c1[O-] ZINC000019836928 385112797 /nfs/dbraw/zinc/11/27/97/385112797.db2.gz BJUMWRUOTJXXOO-UHFFFAOYSA-N -1 3 227.263 2.953 20 0 BFADHM Cc1cccc(NC(=O)c2cccc(C)c2[O-])n1 ZINC000019839173 385115254 /nfs/dbraw/zinc/11/52/54/385115254.db2.gz AFAXTWCJADQYOT-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(NC(=O)C=C2CCC2)c([O-])c1 ZINC000129748960 385182873 /nfs/dbraw/zinc/18/28/73/385182873.db2.gz OPQFOLIUSWJNNY-UHFFFAOYSA-N -1 3 217.268 2.749 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000336321488 385185787 /nfs/dbraw/zinc/18/57/87/385185787.db2.gz BTLJOHTUIPMPJX-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@H]2CC23CC3)c([O-])c1 ZINC000424977560 385275920 /nfs/dbraw/zinc/27/59/20/385275920.db2.gz WEFXRDIWKNBPLK-ZDUSSCGKSA-N -1 3 245.322 2.798 20 0 BFADHM CC[C@@H](C)CN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192585134 385364756 /nfs/dbraw/zinc/36/47/56/385364756.db2.gz PJPCAPAHPJLNSS-KOLCDFICSA-N -1 3 237.347 2.530 20 0 BFADHM CCc1cc(C(=O)NC[C@H](C)C2CC2)ccc1[O-] ZINC000643964132 385324844 /nfs/dbraw/zinc/32/48/44/385324844.db2.gz IGXKCZYGPMPDNH-JTQLQIEISA-N -1 3 247.338 2.731 20 0 BFADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000179047264 385436724 /nfs/dbraw/zinc/43/67/24/385436724.db2.gz QEDIRPJUELAILD-MRVPVSSYSA-N -1 3 243.253 2.526 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2C2CC2)c1 ZINC000334671448 385604553 /nfs/dbraw/zinc/60/45/53/385604553.db2.gz PFBSQDSOXHTGCL-CYBMUJFWSA-N -1 3 245.322 2.579 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC2(C)C)c([O-])c1C ZINC000436827936 385635087 /nfs/dbraw/zinc/63/50/87/385635087.db2.gz WCJWOMQKVPCTHH-LLVKDONJSA-N -1 3 233.311 2.537 20 0 BFADHM CCO[N-]C(=O)Nc1c(CC)cccc1CC ZINC000182884432 385716020 /nfs/dbraw/zinc/71/60/20/385716020.db2.gz HDLPVMMYCNPUGD-UHFFFAOYSA-N -1 3 236.315 2.884 20 0 BFADHM CC(F)(F)C(=O)[N-]C(C)(C)c1ccccc1F ZINC000294269151 385831291 /nfs/dbraw/zinc/83/12/91/385831291.db2.gz XTXDQHMSWODMSE-UHFFFAOYSA-N -1 3 245.244 2.832 20 0 BFADHM CSc1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000112392806 385833212 /nfs/dbraw/zinc/83/32/12/385833212.db2.gz ATYZMKHLKGLFEI-UHFFFAOYSA-N -1 3 249.291 2.959 20 0 BFADHM CCCCNCc1c(F)ccc([O-])c1F ZINC000294434395 385849430 /nfs/dbraw/zinc/84/94/30/385849430.db2.gz XLRZWVZKFJAXMO-UHFFFAOYSA-N -1 3 215.243 2.560 20 0 BFADHM [O-]C(=NOC1CCCC1)N1CCc2ccccc21 ZINC000271797152 385850718 /nfs/dbraw/zinc/85/07/18/385850718.db2.gz LQPZNDUGXWXAQX-UHFFFAOYSA-N -1 3 246.310 2.633 20 0 BFADHM O=C([N-]OC1CCCC1)N1CCc2ccccc21 ZINC000271797152 385850719 /nfs/dbraw/zinc/85/07/19/385850719.db2.gz LQPZNDUGXWXAQX-UHFFFAOYSA-N -1 3 246.310 2.633 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC2(C)C)c1 ZINC000063072962 385789498 /nfs/dbraw/zinc/78/94/98/385789498.db2.gz GJCUFTYTZRGNKR-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM C[C@@H](C1CC1)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272740402 385928661 /nfs/dbraw/zinc/92/86/61/385928661.db2.gz IIVZGRGKTBNIAU-JTQLQIEISA-N -1 3 245.322 2.795 20 0 BFADHM CC(C)CCNC(=O)c1cc([O-])ccc1Cl ZINC000232553604 385878265 /nfs/dbraw/zinc/87/82/65/385878265.db2.gz HRLUWFTYBPJERC-UHFFFAOYSA-N -1 3 241.718 2.822 20 0 BFADHM O=S(=O)([N-]c1ccccc1C(F)F)C1CC1 ZINC000335050988 385949268 /nfs/dbraw/zinc/94/92/68/385949268.db2.gz MGQLSCRDUGVKCI-UHFFFAOYSA-N -1 3 247.266 2.528 20 0 BFADHM CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000335053401 385951284 /nfs/dbraw/zinc/95/12/84/385951284.db2.gz XNUXJQGJTJOHBJ-UHFFFAOYSA-N -1 3 207.273 2.648 20 0 BFADHM FC(F)c1nnc([N-]Cc2cccs2)o1 ZINC000189281793 385972375 /nfs/dbraw/zinc/97/23/75/385972375.db2.gz JKSUTMLIWPZUGV-UHFFFAOYSA-N -1 3 231.227 2.681 20 0 BFADHM Cc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000273400167 385997311 /nfs/dbraw/zinc/99/73/11/385997311.db2.gz KFOJHKOBYGGJTP-UHFFFAOYSA-N -1 3 230.267 2.629 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000335066091 386004764 /nfs/dbraw/zinc/00/47/64/386004764.db2.gz CISDPURLEKQRHY-YUMQZZPRSA-N -1 3 241.237 2.540 20 0 BFADHM O=C([O-])c1ccc(CN[C@H]2C=CCCC2)cc1 ZINC000414635716 386017691 /nfs/dbraw/zinc/01/76/91/386017691.db2.gz HZWGBZXKKMXBLP-ZDUSSCGKSA-N -1 3 231.295 2.583 20 0 BFADHM [O-]c1ccc(-c2noc([C@@]34C[C@@H]3CCC4)n2)cc1 ZINC000643278451 386032628 /nfs/dbraw/zinc/03/26/28/386032628.db2.gz VZWTUTVKUPJVSI-HZMBPMFUSA-N -1 3 242.278 2.884 20 0 BFADHM COC1(CC(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000234628202 386086278 /nfs/dbraw/zinc/08/62/78/386086278.db2.gz OSUMKNIEFKWNSN-UHFFFAOYSA-N -1 3 249.310 2.598 20 0 BFADHM CC(C)CCCC(=O)[N-]OC/C=C/Cl ZINC000296220298 386151269 /nfs/dbraw/zinc/15/12/69/386151269.db2.gz WEGBJMFDCOEIIA-QPJJXVBHSA-N -1 3 219.712 2.613 20 0 BFADHM Cc1cc(C(=O)N[C@@H](C)CC2CC2)ccc1[O-] ZINC000227028972 386153681 /nfs/dbraw/zinc/15/36/81/386153681.db2.gz FMFKXVQTYSLUIM-JTQLQIEISA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1cccc(C)c1[O-] ZINC000187433283 386157493 /nfs/dbraw/zinc/15/74/93/386157493.db2.gz VIOCUGHSNJDERW-GWCFXTLKSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cccc(C)c1[O-] ZINC000187433249 386158295 /nfs/dbraw/zinc/15/82/95/386158295.db2.gz VIOCUGHSNJDERW-MFKMUULPSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C)c(NC([O-])=NOC(C)C)c1 ZINC000296108566 386137971 /nfs/dbraw/zinc/13/79/71/386137971.db2.gz HEFVAPNLDFFYCK-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1ccc(C)c(NC(=O)[N-]OC(C)C)c1 ZINC000296108566 386137973 /nfs/dbraw/zinc/13/79/73/386137973.db2.gz HEFVAPNLDFFYCK-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM CC(F)(F)C(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000288627146 386223413 /nfs/dbraw/zinc/22/34/13/386223413.db2.gz SFCGTLRYPNWXOZ-JTQLQIEISA-N -1 3 243.228 2.584 20 0 BFADHM C[C@H]([N-]C(=O)C(C)(F)F)c1c(F)cccc1F ZINC000288664359 386225243 /nfs/dbraw/zinc/22/52/43/386225243.db2.gz WALGFIHHLCKDBW-LURJTMIESA-N -1 3 249.207 2.797 20 0 BFADHM CCC1(C(=O)Nc2ccc(OC)cc2[O-])CC1 ZINC000331917757 386231529 /nfs/dbraw/zinc/23/15/29/386231529.db2.gz FDKLRASOTUQXTM-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM O=c1[n-]c(-c2ccon2)nc2cc(Cl)ccc12 ZINC000347122940 386234138 /nfs/dbraw/zinc/23/41/38/386234138.db2.gz WMGVAVQEPBRPAI-UHFFFAOYSA-N -1 3 247.641 2.644 20 0 BFADHM Cc1cccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115706 386255000 /nfs/dbraw/zinc/25/50/00/386255000.db2.gz HEWCHAMUKQHGES-SREVYHEPSA-N -1 3 226.279 2.969 20 0 BFADHM CC[C@@H](NC(=O)c1cccc([O-])c1)[C@H]1CC1(C)C ZINC000416279560 386255701 /nfs/dbraw/zinc/25/57/01/386255701.db2.gz ULJVHLCTWOTZIQ-CHWSQXEVSA-N -1 3 247.338 2.947 20 0 BFADHM CC[C@@H](NC(=O)c1cccc([O-])c1)[C@@H]1CC1(C)C ZINC000416279562 386256990 /nfs/dbraw/zinc/25/69/90/386256990.db2.gz ULJVHLCTWOTZIQ-QWHCGFSZSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2C)n1 ZINC000339116559 386259240 /nfs/dbraw/zinc/25/92/40/386259240.db2.gz QTUPCGBPWBFEGN-BQYQJAHWSA-N -1 3 226.279 2.969 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000188244525 386320835 /nfs/dbraw/zinc/32/08/35/386320835.db2.gz HZIFJTPGLPYAMH-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(F)c1F ZINC000289265024 386277305 /nfs/dbraw/zinc/27/73/05/386277305.db2.gz QRNDTZQRBATCHG-ZCFIWIBFSA-N -1 3 249.207 2.797 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C)ccc1[O-] ZINC000226717896 386369223 /nfs/dbraw/zinc/36/92/23/386369223.db2.gz OUFOEQUAYRJCPL-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM CCO[N-]C(=O)Cc1csc2ccccc12 ZINC000298730978 386380371 /nfs/dbraw/zinc/38/03/71/386380371.db2.gz OEKIAEDNQSGSKA-UHFFFAOYSA-N -1 3 235.308 2.512 20 0 BFADHM Cc1cc(C)cc(CC[N-]C(=O)C(F)(F)F)c1 ZINC000265888278 386380855 /nfs/dbraw/zinc/38/08/55/386380855.db2.gz PCWVUCIPDYPCDN-UHFFFAOYSA-N -1 3 245.244 2.524 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)ccc1[O-] ZINC000227036881 386451278 /nfs/dbraw/zinc/45/12/78/386451278.db2.gz DYACDSZFJYDKBL-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM [O-]c1cccnc1CN1CCC[C@@H]1c1ccco1 ZINC000519728518 386544358 /nfs/dbraw/zinc/54/43/58/386544358.db2.gz VOSUEKWCGHQJKD-GFCCVEGCSA-N -1 3 244.294 2.717 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000292116217 386620457 /nfs/dbraw/zinc/62/04/57/386620457.db2.gz QBLRYEGGQVGVPN-CYBMUJFWSA-N -1 3 245.322 2.654 20 0 BFADHM CC[C@@H](C)CON=C([O-])Nc1ncc(C)s1 ZINC000291948066 386602772 /nfs/dbraw/zinc/60/27/72/386602772.db2.gz VCNNPDPNFQFCQZ-SSDOTTSWSA-N -1 3 243.332 2.551 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1ncc(C)s1 ZINC000291948066 386602778 /nfs/dbraw/zinc/60/27/78/386602778.db2.gz VCNNPDPNFQFCQZ-SSDOTTSWSA-N -1 3 243.332 2.551 20 0 BFADHM Cc1c(F)cccc1NC(=O)[N-]OCC1CC1 ZINC000292725278 386715283 /nfs/dbraw/zinc/71/52/83/386715283.db2.gz MIIJKAQHUGIGDW-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM CCc1cc(=O)[n-]c(CSCC2CCC2)n1 ZINC000357343626 386765172 /nfs/dbraw/zinc/76/51/72/386765172.db2.gz LYBSEZDNJYINAW-UHFFFAOYSA-N -1 3 238.356 2.778 20 0 BFADHM CC(C)(CC(=O)Nc1ncccc1[O-])C1CC1 ZINC000293402053 386812843 /nfs/dbraw/zinc/81/28/43/386812843.db2.gz GPDGMWRBQOHCJI-UHFFFAOYSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccc2)c([O-])c1 ZINC000033468010 386840653 /nfs/dbraw/zinc/84/06/53/386840653.db2.gz ILTDMZSEFBIATD-UHFFFAOYSA-N -1 3 227.263 2.953 20 0 BFADHM O=C(CCCc1cccs1)[N-]OCC1CC1 ZINC000293753643 386871397 /nfs/dbraw/zinc/87/13/97/386871397.db2.gz KTBPTBDCKTVDAN-UHFFFAOYSA-N -1 3 239.340 2.529 20 0 BFADHM Cc1ccc(NC(=O)c2ncccc2C)c([O-])c1 ZINC000051813376 386873169 /nfs/dbraw/zinc/87/31/69/386873169.db2.gz UHGDBOCVIJFAQH-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCc1occc1C(=O)Nc1cccc([O-])c1F ZINC000335752447 386879007 /nfs/dbraw/zinc/87/90/07/386879007.db2.gz CRQWVMUSPQSCIS-UHFFFAOYSA-N -1 3 249.241 2.939 20 0 BFADHM C/C(=C\C(=O)[N-]OCC1CC1)c1ccc(F)cc1 ZINC000293818014 386884125 /nfs/dbraw/zinc/88/41/25/386884125.db2.gz RDXKSJDZILGLBH-CSKARUKUSA-N -1 3 249.285 2.687 20 0 BFADHM CC(C)[C@@H]1N(C(=O)c2ccccc2[O-])CC1(C)C ZINC000293822161 386884765 /nfs/dbraw/zinc/88/47/65/386884765.db2.gz HOTQOTZJPSIZAY-ZDUSSCGKSA-N -1 3 247.338 2.899 20 0 BFADHM CC(C)[C@H]1N(C(=O)c2cccc([O-])c2)CC1(C)C ZINC000293837289 386886235 /nfs/dbraw/zinc/88/62/35/386886235.db2.gz IKWUJRBKCBBPHU-CYBMUJFWSA-N -1 3 247.338 2.899 20 0 BFADHM Cc1ccc(NC(=O)C(C)(C)C(F)F)c([O-])c1 ZINC000335770291 386915734 /nfs/dbraw/zinc/91/57/34/386915734.db2.gz PQHLAJPSTLEUKI-UHFFFAOYSA-N -1 3 243.253 2.930 20 0 BFADHM CC1(C)CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000094273029 386940425 /nfs/dbraw/zinc/94/04/25/386940425.db2.gz AFEGFKZMYPZDEC-GFCCVEGCSA-N -1 3 233.311 2.701 20 0 BFADHM [O-]c1cc(F)cc(CN2CC(CC(F)F)C2)c1 ZINC000425364650 386975204 /nfs/dbraw/zinc/97/52/04/386975204.db2.gz GWMGZCSQIPNTLW-UHFFFAOYSA-N -1 3 245.244 2.618 20 0 BFADHM O=C([O-])CCCCNCc1ccsc1Cl ZINC000312694666 387005761 /nfs/dbraw/zinc/00/57/61/387005761.db2.gz MFWVCNOFCUTKTI-UHFFFAOYSA-N -1 3 247.747 2.746 20 0 BFADHM O=C(c1cccc([O-])c1)N(CC1CC1)C1CCC1 ZINC000358400898 386950851 /nfs/dbraw/zinc/95/08/51/386950851.db2.gz ZRZBILQBPSYLAY-UHFFFAOYSA-N -1 3 245.322 2.797 20 0 BFADHM O=C(c1ccoc1)N1CCCc2cccc([O-])c21 ZINC000063063777 387245823 /nfs/dbraw/zinc/24/58/23/387245823.db2.gz YIAKLLNNQJHCQM-UHFFFAOYSA-N -1 3 243.262 2.578 20 0 BFADHM CC(C)(C)NC(=O)Cc1ccc([O-])cc1Cl ZINC000336488650 387316401 /nfs/dbraw/zinc/31/64/01/387316401.db2.gz GWCJPBYDRUPKLT-UHFFFAOYSA-N -1 3 241.718 2.503 20 0 BFADHM CCc1cccc(CNCc2ncccc2[O-])c1 ZINC000515305068 387360688 /nfs/dbraw/zinc/36/06/88/387360688.db2.gz JCCVDJDQKUMHOE-UHFFFAOYSA-N -1 3 242.322 2.639 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC(C2CCCC2)C1 ZINC000336542630 387366376 /nfs/dbraw/zinc/36/63/76/387366376.db2.gz KDEFRRKMHSJRKD-UHFFFAOYSA-N -1 3 245.322 2.654 20 0 BFADHM CCc1ccc([O-])c(C(=O)Nc2nccs2)c1 ZINC000354161531 387338818 /nfs/dbraw/zinc/33/88/18/387338818.db2.gz HGVQPURQLJFLRV-UHFFFAOYSA-N -1 3 248.307 2.663 20 0 BFADHM C[C@@H](C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000121937642 387442602 /nfs/dbraw/zinc/44/26/02/387442602.db2.gz GUPCSLGUZXGUTR-SNVBAGLBSA-N -1 3 242.278 2.529 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(CC)C(C)C)c1 ZINC000354526996 387389850 /nfs/dbraw/zinc/38/98/50/387389850.db2.gz PKLYPAGKQVQHPV-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCC2(C)C)n1 ZINC000361612181 387511861 /nfs/dbraw/zinc/51/18/61/387511861.db2.gz TZLAASNYQIQOLI-SNVBAGLBSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1noc(C)c1NC(=O)c1ccc([O-])c(C)c1 ZINC000336631883 387485165 /nfs/dbraw/zinc/48/51/65/387485165.db2.gz WNNSSXZPFMMKFQ-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000399525606 387552651 /nfs/dbraw/zinc/55/26/51/387552651.db2.gz FAEIKNSVIZRQSR-OUAUKWLOSA-N -1 3 233.311 2.509 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)ccc1[O-] ZINC000399532432 387552848 /nfs/dbraw/zinc/55/28/48/387552848.db2.gz HENJDUHDZTUFKT-SDDRHHMPSA-N -1 3 247.338 2.817 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000399523528 387553292 /nfs/dbraw/zinc/55/32/92/387553292.db2.gz DJPBGQDTJGYSMF-TUAOUCFPSA-N -1 3 247.338 2.817 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(C)ccc1[O-] ZINC000399587450 387556871 /nfs/dbraw/zinc/55/68/71/387556871.db2.gz DSPSMHUEHAQBCD-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000399603191 387558384 /nfs/dbraw/zinc/55/83/84/387558384.db2.gz ZKRDGIKKWSAGIT-TUAOUCFPSA-N -1 3 247.338 2.817 20 0 BFADHM CCc1cc(C(=O)N[C@H](C)CC2CC2)ccc1[O-] ZINC000362771334 387658235 /nfs/dbraw/zinc/65/82/35/387658235.db2.gz XZFQTEGUHOKPOA-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@@H]1[C@H](C(=O)[N-]OCc2ccccc2)[C@H]1C1CC1 ZINC000527709984 387670303 /nfs/dbraw/zinc/67/03/03/387670303.db2.gz HXDOLANVGQECGO-GDLCADMTSA-N -1 3 245.322 2.527 20 0 BFADHM CCC[C@@H](OCC)C(=O)Nc1ccccc1[O-] ZINC000528113674 387848886 /nfs/dbraw/zinc/84/88/86/387848886.db2.gz IXLUJGXOKOKQBL-GFCCVEGCSA-N -1 3 237.299 2.536 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(C)c(Cl)c1 ZINC000157881565 387882357 /nfs/dbraw/zinc/88/23/57/387882357.db2.gz RMXNLDZDRSIGMA-UHFFFAOYSA-N -1 3 228.679 2.721 20 0 BFADHM CC1(C)CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000306313453 387982370 /nfs/dbraw/zinc/98/23/70/387982370.db2.gz XRHWBDPXUKEBCD-UHFFFAOYSA-N -1 3 237.265 2.881 20 0 BFADHM Cc1ccc(O)c(NC(=O)c2cccc([O-])c2)c1 ZINC000084831099 388081394 /nfs/dbraw/zinc/08/13/94/388081394.db2.gz CCRSVTCBZSSULU-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM O=C(C[C@@H]1C=CCC1)Nc1ccc([O-])cc1F ZINC000085203840 388085314 /nfs/dbraw/zinc/08/53/14/388085314.db2.gz HGIRKVIGXARYJW-SECBINFHSA-N -1 3 235.258 2.826 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC=CCC1 ZINC000085203804 388085415 /nfs/dbraw/zinc/08/54/15/388085415.db2.gz FYBZXKYHFDUOJA-SECBINFHSA-N -1 3 235.258 2.826 20 0 BFADHM Cc1cc(C(=O)NC2(C)CCCC2)ccc1[O-] ZINC000226975729 177773193 /nfs/dbraw/zinc/77/31/93/177773193.db2.gz NIHKGDFPAAWIGP-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CC2(C)C)c1 ZINC000490063755 388233850 /nfs/dbraw/zinc/23/38/50/388233850.db2.gz YHWFCCPXGPSFEC-NSHDSACASA-N -1 3 247.338 2.731 20 0 BFADHM C/C=C(/C=C/C(=O)Nc1ncccc1[O-])CC ZINC000492423727 388344176 /nfs/dbraw/zinc/34/41/76/388344176.db2.gz YESQOONAJCFLBT-XWDWXOABSA-N -1 3 232.283 2.638 20 0 BFADHM O=C(/C=C\C1CC1)Nc1cc(Cl)ccc1[O-] ZINC000492240954 388339148 /nfs/dbraw/zinc/33/91/48/388339148.db2.gz ZAYADEONNXMZHJ-UTCJRWHESA-N -1 3 237.686 2.950 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C3CC3)C2)c1 ZINC000335901874 388454947 /nfs/dbraw/zinc/45/49/47/388454947.db2.gz QITGWYRLMKYLAC-GFCCVEGCSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CC[C@H](C)C1 ZINC000649230445 388463758 /nfs/dbraw/zinc/46/37/58/388463758.db2.gz KJHSQZHVKVAKKH-ONGXEEELSA-N -1 3 249.358 2.638 20 0 BFADHM CCC[C@@H](C)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233245 388464159 /nfs/dbraw/zinc/46/41/59/388464159.db2.gz GDKFSHXSDDWULL-SECBINFHSA-N -1 3 237.347 2.638 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1CCCCC1 ZINC000649234144 388465117 /nfs/dbraw/zinc/46/51/17/388465117.db2.gz UOQQGLJKGJQQAX-UHFFFAOYSA-N -1 3 249.358 2.782 20 0 BFADHM COC[C@@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000295336298 388411196 /nfs/dbraw/zinc/41/11/96/388411196.db2.gz MJFSNJQDIACVJP-SECBINFHSA-N -1 3 243.734 2.512 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000648904875 388487067 /nfs/dbraw/zinc/48/70/67/388487067.db2.gz YUZBILQESPNCHZ-MWLCHTKSSA-N -1 3 247.294 2.579 20 0 BFADHM CC(C)N(Cc1ccc(C(=O)[O-])cn1)C1CCC1 ZINC000516976197 388529892 /nfs/dbraw/zinc/52/98/92/388529892.db2.gz ZQRYJMTZZMMCOZ-UHFFFAOYSA-N -1 3 248.326 2.543 20 0 BFADHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000528918419 388582862 /nfs/dbraw/zinc/58/28/62/388582862.db2.gz MMAHAWLKZKQSLQ-QILRFPOHSA-N -1 3 249.285 2.762 20 0 BFADHM CCN(CC(C)C)C(=O)c1cc(C)ccc1[O-] ZINC000037023458 388583187 /nfs/dbraw/zinc/58/31/87/388583187.db2.gz PTMQNLKMCHLWCK-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM O=C(NC1CCCCCC1)c1cccc([O-])c1 ZINC000037387358 388643567 /nfs/dbraw/zinc/64/35/67/388643567.db2.gz WHLWBNZNUJPDSI-UHFFFAOYSA-N -1 3 233.311 2.845 20 0 BFADHM Cc1cc(C(=O)N[C@H](C)CC2CC2)ccc1[O-] ZINC000227028982 388737734 /nfs/dbraw/zinc/73/77/34/388737734.db2.gz FMFKXVQTYSLUIM-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000128349325 388750428 /nfs/dbraw/zinc/75/04/28/388750428.db2.gz WCHKLBHJBWCFQJ-ISVAXAHUSA-N -1 3 237.274 2.906 20 0 BFADHM COc1cccc(C(=O)Nc2ccsc2)c1[O-] ZINC000086507447 388687772 /nfs/dbraw/zinc/68/77/72/388687772.db2.gz MAYDHZLBYZPHMJ-UHFFFAOYSA-N -1 3 249.291 2.715 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CCCC[C@@H](C)C2)n1 ZINC000248784194 388694367 /nfs/dbraw/zinc/69/43/67/388694367.db2.gz VXTTYSJDOXKGEK-PWSUYJOCSA-N -1 3 249.358 2.674 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C)c1 ZINC000538746943 388718821 /nfs/dbraw/zinc/71/88/21/388718821.db2.gz PTYROEMNEWWCGW-NSHDSACASA-N -1 3 247.338 2.969 20 0 BFADHM Cc1ccc(C(=O)NCC2(C(C)C)CC2)c([O-])c1 ZINC000227816428 388760158 /nfs/dbraw/zinc/76/01/58/388760158.db2.gz LGBWRIJOQRHGAQ-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM Cc1cc(CN2C[C@@H](C)C[C@H]2C)oc1C(=O)[O-] ZINC000229313425 388786085 /nfs/dbraw/zinc/78/60/85/388786085.db2.gz YAPIMYDFIAGCKU-WCBMZHEXSA-N -1 3 237.299 2.517 20 0 BFADHM Cc1cc(CN2C[C@H](C)C[C@H]2C)oc1C(=O)[O-] ZINC000229313415 388786161 /nfs/dbraw/zinc/78/61/61/388786161.db2.gz YAPIMYDFIAGCKU-PSASIEDQSA-N -1 3 237.299 2.517 20 0 BFADHM CCc1cnc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000554518912 388819262 /nfs/dbraw/zinc/81/92/62/388819262.db2.gz BKCYOJYFZOAFCU-PLNGDYQASA-N -1 3 247.323 2.680 20 0 BFADHM C[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000230428752 388827285 /nfs/dbraw/zinc/82/72/85/388827285.db2.gz LOYVICNTKMWZNU-QWRGUYRKSA-N -1 3 233.311 2.558 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)ccc1[O-] ZINC000232386283 388849640 /nfs/dbraw/zinc/84/96/40/388849640.db2.gz LXGRJFVUWMEFBW-GWCFXTLKSA-N -1 3 247.338 2.867 20 0 BFADHM Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2C)ccc1[O-] ZINC000232386285 388849899 /nfs/dbraw/zinc/84/98/99/388849899.db2.gz LXGRJFVUWMEFBW-GXFFZTMASA-N -1 3 247.338 2.867 20 0 BFADHM C[C@@H](NCc1sccc1Cl)[C@@H](C)C(=O)[O-] ZINC000565104963 388915157 /nfs/dbraw/zinc/91/51/57/388915157.db2.gz WXAQBODWILGEIL-RNFRBKRXSA-N -1 3 247.747 2.600 20 0 BFADHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c([O-])c1 ZINC000162939657 133538282 /nfs/dbraw/zinc/53/82/82/133538282.db2.gz XJIUQIVRXWIGPC-WDEREUQCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)cc(F)c2)n1 ZINC000352036216 134045612 /nfs/dbraw/zinc/04/56/12/134045612.db2.gz XXLGAISOXAEHKQ-IHWYPQMZSA-N -1 3 248.232 2.939 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC(F)(F)C1 ZINC000336082568 134075787 /nfs/dbraw/zinc/07/57/87/134075787.db2.gz CLFGUYORRZOTNE-MRVPVSSYSA-N -1 3 241.237 2.766 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000177020949 134293742 /nfs/dbraw/zinc/29/37/42/134293742.db2.gz BJEHXUVMPRZEIG-QWRGUYRKSA-N -1 3 233.311 2.571 20 0 BFADHM C[C@@H]1CCC[C@H](C)C1NC(=O)c1cccc([O-])c1 ZINC000182459638 134342137 /nfs/dbraw/zinc/34/21/37/134342137.db2.gz DGDMPDRLVLWZIM-BVUQATHDSA-N -1 3 247.338 2.947 20 0 BFADHM O=[S@@](CCc1ccccc1)c1cccc([O-])c1 ZINC000184076184 134357757 /nfs/dbraw/zinc/35/77/57/134357757.db2.gz CPXFWEGCRFHTLK-KRWDZBQOSA-N -1 3 246.331 2.743 20 0 BFADHM [O-]c1cc(F)cc(CNc2ccccc2CO)c1 ZINC000184138972 134359198 /nfs/dbraw/zinc/35/91/98/134359198.db2.gz FKTDMCXPCRXOLL-UHFFFAOYSA-N -1 3 247.269 2.636 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C)ccc1[O-] ZINC000226996428 134371187 /nfs/dbraw/zinc/37/11/87/134371187.db2.gz LHEVJAMLCIZTPQ-BXKDBHETSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cncc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000227038521 134373738 /nfs/dbraw/zinc/37/37/38/134373738.db2.gz NXBGSDWWSJQBFE-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC1=CCCN(Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263335222 135347158 /nfs/dbraw/zinc/34/71/58/135347158.db2.gz NIRFFTFSVLRQRJ-UHFFFAOYSA-N -1 3 231.295 2.537 20 0 BFADHM [O-]c1cccnc1CNCc1cccc(Cl)c1 ZINC000347806861 136013388 /nfs/dbraw/zinc/01/33/88/136013388.db2.gz QKBBXXVWBCKHSO-UHFFFAOYSA-N -1 3 248.713 2.730 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@H]2C)n1 ZINC000347876062 136016917 /nfs/dbraw/zinc/01/69/17/136016917.db2.gz WVAOWTGLQPYXOO-KOLCDFICSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc(CNCc2ncccc2[O-])c(C)c1 ZINC000347875373 136017129 /nfs/dbraw/zinc/01/71/29/136017129.db2.gz IDWVYVBBKRNJBD-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM C[C@H]1C[C@H]1CC(=O)N1CCCc2cccc([O-])c21 ZINC000335331460 136053481 /nfs/dbraw/zinc/05/34/81/136053481.db2.gz IGUIFKBBHRIPME-JQWIXIFHSA-N -1 3 245.322 2.718 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000362015107 397977609 /nfs/dbraw/zinc/97/76/09/397977609.db2.gz VQHRDMBZAPLGMO-CYBMUJFWSA-N -1 3 245.322 2.715 20 0 BFADHM CSCCCC(=O)Nc1ccc([O-])cc1F ZINC000121847207 398094990 /nfs/dbraw/zinc/09/49/90/398094990.db2.gz MLBXSFAZYKMHSS-UHFFFAOYSA-N -1 3 243.303 2.613 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@@H]2C)c1[O-] ZINC000530986189 398086820 /nfs/dbraw/zinc/08/68/20/398086820.db2.gz MXCCVDGRKSNKHJ-JTQLQIEISA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H]2C)c1 ZINC000051746368 398058592 /nfs/dbraw/zinc/05/85/92/398058592.db2.gz MZEMMIKAYUGVPA-NWDGAFQWSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(NC(=O)CCCC2CC2)n1 ZINC000643242079 398101552 /nfs/dbraw/zinc/10/15/52/398101552.db2.gz FQLKPZXCCUZNKX-UHFFFAOYSA-N -1 3 234.299 2.614 20 0 BFADHM CC[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000572007639 398129405 /nfs/dbraw/zinc/12/94/05/398129405.db2.gz YDYXPFCTDFGLQH-SECBINFHSA-N -1 3 239.340 2.678 20 0 BFADHM C[C@H](CCC1CC1)NC(=O)c1ccccc1[O-] ZINC000398188411 322865892 /nfs/dbraw/zinc/86/58/92/322865892.db2.gz QSVKLAPYNLDSFY-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM CCc1cccc(C(=O)Nc2ccccn2)c1[O-] ZINC000530640012 322888235 /nfs/dbraw/zinc/88/82/35/322888235.db2.gz DFWWZHZCXIONAB-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM CC(C)ON=C([O-])Nc1cc(Cl)ccc1F ZINC000296209042 167275444 /nfs/dbraw/zinc/27/54/44/167275444.db2.gz ILSUOMMVLXDGRX-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cc(Cl)ccc1F ZINC000296209042 167275447 /nfs/dbraw/zinc/27/54/47/167275447.db2.gz ILSUOMMVLXDGRX-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CCc1cc(C(=O)NC2(C)CC=CC2)ccc1[O-] ZINC000655227437 409644268 /nfs/dbraw/zinc/64/42/68/409644268.db2.gz SSIGWLJKBZLVAV-UHFFFAOYSA-N -1 3 245.322 2.793 20 0 BFADHM Cc1cc([C@@H](C)N2CC3CC2(C)C3)oc1C(=O)[O-] ZINC000663314921 410108257 /nfs/dbraw/zinc/10/82/57/410108257.db2.gz DEBFHHFIFNOECM-NAUIOFCNSA-N -1 3 249.310 2.832 20 0 BFADHM CCO[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000116169465 410263944 /nfs/dbraw/zinc/26/39/44/410263944.db2.gz UJGTVVFSRRYPAL-LLVKDONJSA-N -1 3 221.300 2.556 20 0 BFADHM CC(C)(C)C1CC(NC(=O)c2cccc([O-])c2)C1 ZINC000356071167 166542973 /nfs/dbraw/zinc/54/29/73/166542973.db2.gz XBFVPTGRBVZNJH-UHFFFAOYSA-N -1 3 247.338 2.947 20 0 BFADHM CC(C)(C)CC(=O)Nc1ccc([O-])cc1F ZINC000082879382 166551158 /nfs/dbraw/zinc/55/11/58/166551158.db2.gz AJACLRYRIJAPHT-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM CC(C)ON=C([O-])Nc1cccc(F)c1Cl ZINC000296843869 167276159 /nfs/dbraw/zinc/27/61/59/167276159.db2.gz ANRFROCSSPBTPY-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cccc(F)c1Cl ZINC000296843869 167276162 /nfs/dbraw/zinc/27/61/62/167276162.db2.gz ANRFROCSSPBTPY-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM C[C@H]1CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000652366633 411217992 /nfs/dbraw/zinc/21/79/92/411217992.db2.gz FCKOKZZISNJAPH-VIFPVBQESA-N -1 3 239.340 2.678 20 0 BFADHM CCN(CCCCC(=O)[O-])CCC(F)(F)F ZINC000652405552 411231308 /nfs/dbraw/zinc/23/13/08/411231308.db2.gz OBQLDJMQIMJKOJ-UHFFFAOYSA-N -1 3 241.253 2.516 20 0 BFADHM Cc1cc(C(=O)N2CCC23CCCC3)ccc1[O-] ZINC000652571562 411277624 /nfs/dbraw/zinc/27/76/24/411277624.db2.gz ZZBCUSVUROLHGQ-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000019836861 411297797 /nfs/dbraw/zinc/29/77/97/411297797.db2.gz BRVLKGVTNDMTHC-LLVKDONJSA-N -1 3 241.290 2.883 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000403318448 411338294 /nfs/dbraw/zinc/33/82/94/411338294.db2.gz ATPFFOPTUMQYSH-SDDRHHMPSA-N -1 3 245.322 2.619 20 0 BFADHM CC1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000108941442 168038186 /nfs/dbraw/zinc/03/81/86/168038186.db2.gz MYUATZICLHHUFM-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM CC1(CNCc2c(F)ccc([O-])c2F)CC1 ZINC000352650151 168041785 /nfs/dbraw/zinc/04/17/85/168041785.db2.gz UCQGUPMQJLNYAB-UHFFFAOYSA-N -1 3 227.254 2.560 20 0 BFADHM Cc1ccc(NC(=O)C2=C(C)OCCC2)c([O-])c1 ZINC000129252214 168079456 /nfs/dbraw/zinc/07/94/56/168079456.db2.gz YTYMKSAUSIFOJK-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM Cc1cc(C(=O)N2CCC(C)=C(C)C2)ccc1[O-] ZINC000281712568 168082630 /nfs/dbraw/zinc/08/26/30/168082630.db2.gz HYFIXWVXPZJERY-UHFFFAOYSA-N -1 3 245.322 2.883 20 0 BFADHM CC1=CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000274526290 168115012 /nfs/dbraw/zinc/11/50/12/168115012.db2.gz CLDPLAXVOFOUGE-UHFFFAOYSA-N -1 3 221.275 2.683 20 0 BFADHM CC1CC(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000232824481 168144700 /nfs/dbraw/zinc/14/47/00/168144700.db2.gz KYLFBQTWGMXSHU-UHFFFAOYSA-N -1 3 239.702 2.574 20 0 BFADHM Cc1cccc(C(=O)NC2CC3(CCC3)C2)c1[O-] ZINC000652974298 411386235 /nfs/dbraw/zinc/38/62/35/411386235.db2.gz XYOBGQDUTISSSW-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CCC1(CC)CCN(c2ccncc2C(=O)[O-])C1 ZINC000126325189 411429512 /nfs/dbraw/zinc/42/95/12/411429512.db2.gz DJZBGYNXDMSGRP-UHFFFAOYSA-N -1 3 248.326 2.796 20 0 BFADHM CC/C=C\CCOc1ccc2c([O-])coc2c1 ZINC000664135506 411865934 /nfs/dbraw/zinc/86/59/34/411865934.db2.gz MIHBQUJEPGVEAE-ARJAWSKDSA-N -1 3 232.279 2.997 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)c1c(F)cccc1F ZINC000293733190 170710750 /nfs/dbraw/zinc/71/07/50/170710750.db2.gz NLGRJXAEARJJJZ-MRVPVSSYSA-N -1 3 243.253 2.672 20 0 BFADHM CC[C@@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000037023559 170721687 /nfs/dbraw/zinc/72/16/87/170721687.db2.gz YJEHFVCUMHEDBA-SNVBAGLBSA-N -1 3 221.300 2.571 20 0 BFADHM [O-]c1coc2cc(OCC3CC=CC3)ccc12 ZINC000664135779 411866574 /nfs/dbraw/zinc/86/65/74/411866574.db2.gz NMHCAUNPSIMKDV-UHFFFAOYSA-N -1 3 230.263 2.607 20 0 BFADHM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(O)cc1[O-] ZINC000662032680 411950868 /nfs/dbraw/zinc/95/08/68/411950868.db2.gz CRCMBEMIYIEKJV-SECBINFHSA-N -1 3 249.310 2.501 20 0 BFADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000136204453 171052866 /nfs/dbraw/zinc/05/28/66/171052866.db2.gz BKTQHKDIBDHUBZ-CMPLNLGQSA-N -1 3 233.311 2.795 20 0 BFADHM CC[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000335651283 171143518 /nfs/dbraw/zinc/14/35/18/171143518.db2.gz SYIIDJUTRRUZIR-LDYMZIIASA-N -1 3 230.267 2.956 20 0 BFADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274781198 171155608 /nfs/dbraw/zinc/15/56/08/171155608.db2.gz KRCAAWSQBNJUBZ-GXFFZTMASA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000274788155 171156692 /nfs/dbraw/zinc/15/66/92/171156692.db2.gz LYJSKRVCFXKQSH-GXFFZTMASA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cccc([O-])c1 ZINC000274781204 171159134 /nfs/dbraw/zinc/15/91/34/171159134.db2.gz KRCAAWSQBNJUBZ-ZWNOBZJWSA-N -1 3 233.311 2.653 20 0 BFADHM CC[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174870316 171254728 /nfs/dbraw/zinc/25/47/28/171254728.db2.gz FRPVEEKCIQOQFZ-ZETCQYMHSA-N -1 3 211.236 2.516 20 0 BFADHM CC[C@H](C)CCC(=O)Nc1ncccc1[O-] ZINC000354618026 171269144 /nfs/dbraw/zinc/26/91/44/171269144.db2.gz TXPLOTJLHJIIES-VIFPVBQESA-N -1 3 222.288 2.552 20 0 BFADHM CC[C@H](C)CN(C)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192585149 171275117 /nfs/dbraw/zinc/27/51/17/171275117.db2.gz PJPCAPAHPJLNSS-ONGXEEELSA-N -1 3 237.347 2.530 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042559392 171363753 /nfs/dbraw/zinc/36/37/53/171363753.db2.gz UJALSZXVZDNKDR-VHSXEESVSA-N -1 3 221.300 2.557 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227022256 171387990 /nfs/dbraw/zinc/38/79/90/171387990.db2.gz CNXPWQFRVMDWCO-ONGXEEELSA-N -1 3 235.327 2.865 20 0 BFADHM CCc1cc(C(=O)N2CCC(C)CC2)ccc1[O-] ZINC000291389898 171749447 /nfs/dbraw/zinc/74/94/47/171749447.db2.gz CLHXJKZLCZDRQE-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1[n-]cnc(=NOC[C@H](C)CC)c1F ZINC000291823765 172032859 /nfs/dbraw/zinc/03/28/59/172032859.db2.gz KWWGWURNDDCYQK-MRVPVSSYSA-N -1 3 227.283 2.568 20 0 BFADHM CCc1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000265056167 172071510 /nfs/dbraw/zinc/07/15/10/172071510.db2.gz UIMHSSPTRHNPBE-UHFFFAOYSA-N -1 3 232.070 2.934 20 0 BFADHM CCn1cc([N-]c2nc3cc(F)ccc3o2)cn1 ZINC000114447832 172188037 /nfs/dbraw/zinc/18/80/37/172188037.db2.gz XXMBJLOQUYCFBY-UHFFFAOYSA-N -1 3 246.245 2.927 20 0 BFADHM CN(C(=O)c1cc([O-])ccc1Cl)C(C)(C)C ZINC000336476350 172337657 /nfs/dbraw/zinc/33/76/57/172337657.db2.gz MLPAETNBDBJKMZ-UHFFFAOYSA-N -1 3 241.718 2.916 20 0 BFADHM CSCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000172081748 175461946 /nfs/dbraw/zinc/46/19/46/175461946.db2.gz PKUZRHHKMDIJMG-UHFFFAOYSA-N -1 3 245.731 2.656 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1C(=O)c1cccc([O-])c1 ZINC000336319500 176057549 /nfs/dbraw/zinc/05/75/49/176057549.db2.gz VTGSSZDLICOHSG-LLVKDONJSA-N -1 3 245.322 2.797 20 0 BFADHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000042869246 176076907 /nfs/dbraw/zinc/07/69/07/176076907.db2.gz JBVUDHVNULIJQW-DGCLKSJQSA-N -1 3 247.338 2.948 20 0 BFADHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])o2)[C@H](C)C1 ZINC000051733244 176174192 /nfs/dbraw/zinc/17/41/92/176174192.db2.gz MHBRTJPDERNIOT-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CC[C@H](CCC(=O)Nc2ccccc2[O-])O1 ZINC000175083024 176223045 /nfs/dbraw/zinc/22/30/45/176223045.db2.gz CDWGZGNRLBXISK-GHMZBOCLSA-N -1 3 249.310 2.678 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC000050566606 177095280 /nfs/dbraw/zinc/09/52/80/177095280.db2.gz XEMFRZUNONOGEE-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(=O)[O-])co1 ZINC000051330748 177100521 /nfs/dbraw/zinc/10/05/21/177100521.db2.gz CCMZHXYVTVEYBL-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000356142083 177118546 /nfs/dbraw/zinc/11/85/46/177118546.db2.gz DOJNCGWQZCDONG-WDEREUQCSA-N -1 3 248.326 2.942 20 0 BFADHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H]1C ZINC000166991013 177154519 /nfs/dbraw/zinc/15/45/19/177154519.db2.gz QVROHXWHPNVJQK-WDEREUQCSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@H]1CC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000336299701 177203469 /nfs/dbraw/zinc/20/34/69/177203469.db2.gz JXJRHAVNLBHDEI-JQWIXIFHSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1C[C@H](C)N(Cc2c(F)ccc([O-])c2F)C1 ZINC000508721427 226373582 /nfs/dbraw/zinc/37/35/82/226373582.db2.gz XJKCXRSGGPUHGE-IUCAKERBSA-N -1 3 241.281 2.901 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C)cc1[O-] ZINC000399551472 262839045 /nfs/dbraw/zinc/83/90/45/262839045.db2.gz AHZPWLMLXUUUMJ-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H]1CC[C@H](C)N(Cc2occc2C(=O)[O-])C1 ZINC000088705816 487745997 /nfs/dbraw/zinc/74/59/97/487745997.db2.gz VVJSTDHZZIHPRJ-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)s1 ZINC000786997247 585899714 /nfs/dbraw/zinc/89/97/14/585899714.db2.gz VHALHIRHOXLDGZ-UHFFFAOYSA-N -1 3 239.674 2.673 20 0 BFADHM Cc1nc([N-]C(=O)c2coc(C3CC3)n2)cs1 ZINC000681635999 487828024 /nfs/dbraw/zinc/82/80/24/487828024.db2.gz DCZYGRCXGJKNAF-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM CCOC(=O)[N-]OCCCC1CCCC1 ZINC000818106405 586874185 /nfs/dbraw/zinc/87/41/85/586874185.db2.gz DVWYURFUFCOZDM-UHFFFAOYSA-N -1 3 215.293 2.635 20 0 BFADHM CCOC([O-])=NOCCCC1CCCC1 ZINC000818106405 586874184 /nfs/dbraw/zinc/87/41/84/586874184.db2.gz DVWYURFUFCOZDM-UHFFFAOYSA-N -1 3 215.293 2.635 20 0 BFADHM Cc1cccc(C(=O)NC2(C)CC=CC2)c1[O-] ZINC000654005971 487847979 /nfs/dbraw/zinc/84/79/79/487847979.db2.gz CCPOOZDDGJFHHG-UHFFFAOYSA-N -1 3 231.295 2.539 20 0 BFADHM CC(C)(C)N=c1[n-]nc(C2CCCC2)n1C1CC1 ZINC000563310348 322958245 /nfs/dbraw/zinc/95/82/45/322958245.db2.gz AXVKAPPDEZTXLB-UHFFFAOYSA-N -1 3 248.374 2.903 20 0 BFADHM CCO[C@@H](CC)c1noc(-c2ccccc2[O-])n1 ZINC000157375656 487910181 /nfs/dbraw/zinc/91/01/81/487910181.db2.gz VOWTYTWRQCOUKB-NSHDSACASA-N -1 3 248.282 2.930 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CCC2(C)C)c1[O-] ZINC000561747020 323006280 /nfs/dbraw/zinc/00/62/80/323006280.db2.gz RPSGBDFQASNPMQ-GFCCVEGCSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@@H](CC(F)F)C(=O)Nc1cccc([O-])c1F ZINC000562729357 323028996 /nfs/dbraw/zinc/02/89/96/323028996.db2.gz HDKPTVNGHHPDOJ-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM CC(C)CCCC(=O)N=c1cc2ccccn2[n-]1 ZINC000562739182 323029299 /nfs/dbraw/zinc/02/92/99/323029299.db2.gz DIMXGVYFJOFDQM-UHFFFAOYSA-N -1 3 245.326 2.521 20 0 BFADHM CC(C)(C)[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000160213327 323064143 /nfs/dbraw/zinc/06/41/43/323064143.db2.gz GHUDLGFHQRGNRH-SNVBAGLBSA-N -1 3 248.326 2.652 20 0 BFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccco1 ZINC000156565654 323066341 /nfs/dbraw/zinc/06/63/41/323066341.db2.gz PQAWGYZMUDUHKE-UHFFFAOYSA-N -1 3 232.239 2.706 20 0 BFADHM CCc1cccc(C(=O)NCC2(CC)CC2)c1[O-] ZINC000531229988 323086036 /nfs/dbraw/zinc/08/60/36/323086036.db2.gz ZJZHDVRYUMDFOJ-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCCC(C)C)c1 ZINC000522777904 323092024 /nfs/dbraw/zinc/09/20/24/323092024.db2.gz IKBRLHRKZAGLCL-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CC1=C(C)C[C@@H](C(=O)Nc2ncccc2[O-])CC1 ZINC000563189784 323100651 /nfs/dbraw/zinc/10/06/51/323100651.db2.gz IRPOKAWIYVHIQN-NSHDSACASA-N -1 3 246.310 2.862 20 0 BFADHM CC1=CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000571529482 323147060 /nfs/dbraw/zinc/14/70/60/323147060.db2.gz KOTVLANCNCGUEI-ZDUSSCGKSA-N -1 3 249.285 2.603 20 0 BFADHM Cc1ccc(C(=O)NCCC(C)C)c([O-])c1C ZINC000048517763 323153750 /nfs/dbraw/zinc/15/37/50/323153750.db2.gz ZQRWRVQDBWNQHM-UHFFFAOYSA-N -1 3 235.327 2.785 20 0 BFADHM O=C(CCCn1cccc1)Nc1ccccc1[O-] ZINC000049470357 323160975 /nfs/dbraw/zinc/16/09/75/323160975.db2.gz XYMCYDUPOPEUIX-UHFFFAOYSA-N -1 3 244.294 2.613 20 0 BFADHM Cc1cccc(C(=O)N[C@]2(C)CC=CCC2)c1[O-] ZINC000398398912 323185609 /nfs/dbraw/zinc/18/56/09/323185609.db2.gz VKRRNJQIBZVSLY-OAHLLOKOSA-N -1 3 245.322 2.929 20 0 BFADHM CCc1cccc(C(=O)N(C)[C@@H](C)CC)c1[O-] ZINC000536687235 323201370 /nfs/dbraw/zinc/20/13/70/323201370.db2.gz ZSEDUHMSTRCEQS-JTQLQIEISA-N -1 3 235.327 2.825 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000399300427 323202933 /nfs/dbraw/zinc/20/29/33/323202933.db2.gz MTEXMNDNNZYUNC-OAHLLOKOSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)ccc1[O-] ZINC000397258648 323300984 /nfs/dbraw/zinc/30/09/84/323300984.db2.gz YOTUXLLSEDRGID-UKRRQHHQSA-N -1 3 247.338 2.865 20 0 BFADHM Cc1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)ccc1[O-] ZINC000397258643 323301276 /nfs/dbraw/zinc/30/12/76/323301276.db2.gz YOTUXLLSEDRGID-DZGCQCFKSA-N -1 3 247.338 2.865 20 0 BFADHM CCc1cccc(C(=O)NCC=C(C)C)c1[O-] ZINC000572335874 323598655 /nfs/dbraw/zinc/59/86/55/323598655.db2.gz CGINEJLFWHNBLE-UHFFFAOYSA-N -1 3 233.311 2.651 20 0 BFADHM Cc1ccc2occ(CC(=O)[N-]OC(C)C)c2c1 ZINC000529447089 324301589 /nfs/dbraw/zinc/30/15/89/324301589.db2.gz XYKVERQLCUKSOR-UHFFFAOYSA-N -1 3 247.294 2.740 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1ccccc1F ZINC000129209452 324928714 /nfs/dbraw/zinc/92/87/14/324928714.db2.gz GVYANCOUFCGCPK-UHFFFAOYSA-N -1 3 249.216 2.923 20 0 BFADHM Cc1cc(NC(=O)c2cc(C)ccc2[O-])sn1 ZINC000130040413 325007837 /nfs/dbraw/zinc/00/78/37/325007837.db2.gz QWZPXBKBTPNVDW-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)C2)c1 ZINC000132935164 325255127 /nfs/dbraw/zinc/25/51/27/325255127.db2.gz MOWVTYOIAHEETM-MWLCHTKSSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CC[C@@H](C)C2)c1[O-] ZINC000132934578 325255190 /nfs/dbraw/zinc/25/51/90/325255190.db2.gz QUVGYZKNBQHCCP-KOLCDFICSA-N -1 3 233.311 2.619 20 0 BFADHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CC=CCC1 ZINC000133013532 325259854 /nfs/dbraw/zinc/25/98/54/325259854.db2.gz TVHIRSGYBSUHJV-LLVKDONJSA-N -1 3 249.285 2.504 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC[C@H](C)C(C)C)c1 ZINC000081066918 325490383 /nfs/dbraw/zinc/49/03/83/325490383.db2.gz SQLYNKBQRBPQHL-NSHDSACASA-N -1 3 235.327 2.723 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C2CC2)c1 ZINC000552356440 325624325 /nfs/dbraw/zinc/62/43/25/325624325.db2.gz UIMBATGCCNNYGD-SNVBAGLBSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1coc([N-]C(=O)c2cc(C(C)C)on2)n1 ZINC000555511773 325759370 /nfs/dbraw/zinc/75/93/70/325759370.db2.gz KTOAHYQGHRELHD-UHFFFAOYSA-N -1 3 249.270 2.601 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])C1CCC1 ZINC000153656879 326105658 /nfs/dbraw/zinc/10/56/58/326105658.db2.gz ULYWKINSGIHXHO-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM CCc1cnccc1C(=O)Nc1ccccc1[O-] ZINC000154818243 326165772 /nfs/dbraw/zinc/16/57/72/326165772.db2.gz YMMMHLADVAWFFB-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccoc1 ZINC000156614252 326237291 /nfs/dbraw/zinc/23/72/91/326237291.db2.gz NYQIXCXQKPSYGA-UHFFFAOYSA-N -1 3 232.239 2.706 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C=CCCC2)c1 ZINC000157766855 326294747 /nfs/dbraw/zinc/29/47/47/326294747.db2.gz QKPKSAGVPIVRAJ-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM C=C/C(C)=C/CC(=O)NCc1ccc([O-])c(F)c1 ZINC000682695086 488021306 /nfs/dbraw/zinc/02/13/06/488021306.db2.gz CNMDUZPOQDYRCK-ONNFQVAWSA-N -1 3 249.285 2.670 20 0 BFADHM C[C@H](C(=O)Nc1cccc([O-])c1F)c1ccco1 ZINC000677801407 488124670 /nfs/dbraw/zinc/12/46/70/488124670.db2.gz OKBXOEPGFNIHMZ-QMMMGPOBSA-N -1 3 249.241 2.867 20 0 BFADHM Cc1sc(C(=O)[O-])cc1CN1CC=CCC1 ZINC000382542687 487545227 /nfs/dbraw/zinc/54/52/27/487545227.db2.gz WIDGYVIEKNUHCG-UHFFFAOYSA-N -1 3 237.324 2.517 20 0 BFADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccsc1 ZINC000061367935 487474001 /nfs/dbraw/zinc/47/40/01/487474001.db2.gz MIGANHBYOXOPQL-SECBINFHSA-N -1 3 247.319 2.945 20 0 BFADHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccsc1 ZINC000061367933 487474189 /nfs/dbraw/zinc/47/41/89/487474189.db2.gz MIGANHBYOXOPQL-VIFPVBQESA-N -1 3 247.319 2.945 20 0 BFADHM C[C@H](C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000674134797 487524776 /nfs/dbraw/zinc/52/47/76/487524776.db2.gz KCIIDJVFQPLOPN-VIFPVBQESA-N -1 3 234.299 2.552 20 0 BFADHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])c(C)o2)C1 ZINC000160606414 488148134 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238.283 2.746 20 0 BFADHM CCO[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000755442686 585299842 /nfs/dbraw/zinc/29/98/42/585299842.db2.gz DSBWNONPERSEEV-JTQLQIEISA-N -1 3 213.321 2.661 20 0 BFADHM CC(C)=C(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000757613884 585343119 /nfs/dbraw/zinc/34/31/19/585343119.db2.gz VHGAPTIOVHGCTB-UHFFFAOYSA-N -1 3 237.274 2.730 20 0 BFADHM CCC/C=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000758076384 585348917 /nfs/dbraw/zinc/34/89/17/585348917.db2.gz HCFWISKDSFHTON-WAYWQWQTSA-N -1 3 219.284 2.995 20 0 BFADHM CC[C@H](C)OC(=O)c1ccc([O-])cc1C ZINC000758535914 585357057 /nfs/dbraw/zinc/35/70/57/585357057.db2.gz KSGYKWDIRHKXGF-VIFPVBQESA-N -1 3 208.257 2.656 20 0 BFADHM Cc1cccc(C(=O)N[C@H](C)c2ccc[nH]2)c1[O-] ZINC000760731280 585396540 /nfs/dbraw/zinc/39/65/40/585396540.db2.gz YFBXHTDPXRZGCD-SNVBAGLBSA-N -1 3 244.294 2.520 20 0 BFADHM CCC(CC)[C@H](C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000761600357 585417575 /nfs/dbraw/zinc/41/75/75/585417575.db2.gz DCFUDJSMSPSNCI-JQWIXIFHSA-N -1 3 243.347 2.633 20 0 BFADHM 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235.283 2.696 20 0 BFADHM C/C=C(/CC)C(=O)Nc1ccc([O-])cc1F ZINC000789846844 585951568 /nfs/dbraw/zinc/95/15/68/585951568.db2.gz SNDAFWBZJYXNHM-BAQGIRSFSA-N -1 3 223.247 2.826 20 0 BFADHM CSCCO[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000794184135 586033722 /nfs/dbraw/zinc/03/37/22/586033722.db2.gz PILLTTVKPZAJOS-MNOVXSKESA-N -1 3 245.388 2.614 20 0 BFADHM CSCCO[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000794184138 586033753 /nfs/dbraw/zinc/03/37/53/586033753.db2.gz PILLTTVKPZAJOS-WDEREUQCSA-N -1 3 245.388 2.614 20 0 BFADHM CSCCO[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000794181698 586034016 /nfs/dbraw/zinc/03/40/16/586034016.db2.gz WJKLEVYWAPXJHR-MNOVXSKESA-N -1 3 245.388 2.614 20 0 BFADHM CSCCO[N-]C(=O)CCCC(C)(C)C ZINC000794182872 586034151 /nfs/dbraw/zinc/03/41/51/586034151.db2.gz HOFJTPGFDKPTMX-UHFFFAOYSA-N -1 3 233.377 2.614 20 0 BFADHM CCC(CC)CC(=O)[N-]OC[C@H](C)CC ZINC000794851624 586051287 /nfs/dbraw/zinc/05/12/87/586051287.db2.gz GBPPDECHJNGKRB-SNVBAGLBSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CC1=CCCCC1 ZINC000794864086 586052201 /nfs/dbraw/zinc/05/22/01/586052201.db2.gz KKGBJLDFNKPMRT-NSHDSACASA-N -1 3 225.332 2.971 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]OC[C@@H](C)CC ZINC000794866700 586052375 /nfs/dbraw/zinc/05/23/75/586052375.db2.gz UVRPGXWKYSDICC-ZJUUUORDSA-N -1 3 201.310 2.517 20 0 BFADHM C/C(=C/Cl)CSCc1nc(C)cc(=O)[n-]1 ZINC000797814275 586131729 /nfs/dbraw/zinc/13/17/29/586131729.db2.gz YHLDBMRQRJLGRV-DAXSKMNVSA-N -1 3 244.747 2.866 20 0 BFADHM Cc1cc(C)nc(C(=O)Nc2ccccc2[O-])c1 ZINC000801137007 586242929 /nfs/dbraw/zinc/24/29/29/586242929.db2.gz DPWBIQVZBGYCKK-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OC[C@H]1C[C@@H]1C ZINC000859611070 589048867 /nfs/dbraw/zinc/04/88/67/589048867.db2.gz MSAKVKNANCVRSK-WCBMZHEXSA-N -1 3 220.268 2.513 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC[C@@H]1C[C@@H]1C ZINC000859650787 589051956 /nfs/dbraw/zinc/05/19/56/589051956.db2.gz BWPKWLJCDWDSIO-WPRPVWTQSA-N -1 3 236.315 2.654 20 0 BFADHM 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ZINC000848120782 588358617 /nfs/dbraw/zinc/35/86/17/588358617.db2.gz OOXMEMYCVQAJRH-UBYNWHESSA-N -1 3 237.299 2.777 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)/C(C)=C/c1ccco1 ZINC000848120780 588358947 /nfs/dbraw/zinc/35/89/47/588358947.db2.gz OOXMEMYCVQAJRH-MXBGMFSPSA-N -1 3 237.299 2.777 20 0 BFADHM C[C@@H]1C[C@H]1c1noc(-c2cc3occc3[n-]2)n1 ZINC000848709705 588407634 /nfs/dbraw/zinc/40/76/34/588407634.db2.gz GMOXRPYXRPXKCF-RNFRBKRXSA-N -1 3 229.239 2.934 20 0 BFADHM CCCO[N-]C(=O)Nc1ccc2occc2c1 ZINC000861543289 589167679 /nfs/dbraw/zinc/16/76/79/589167679.db2.gz ABUUWTWZXKTORC-UHFFFAOYSA-N -1 3 234.255 2.896 20 0 BFADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)c1ccco1 ZINC000861782824 589178193 /nfs/dbraw/zinc/17/81/93/589178193.db2.gz LTWVHFKRJXRYIO-LVCFMKKZSA-N -1 3 243.690 2.574 20 0 BFADHM CSCCCCCCC(=O)[N-]OC(C)C ZINC000861879205 589181576 /nfs/dbraw/zinc/18/15/76/589181576.db2.gz ICPCLDBHWHHVAW-UHFFFAOYSA-N -1 3 233.377 2.756 20 0 BFADHM CCO[N-]C(=O)[C@](C)(Cc1ccccc1)C(C)C ZINC000864691132 589390143 /nfs/dbraw/zinc/39/01/43/589390143.db2.gz YDDNYRDQVQQMJX-OAHLLOKOSA-N -1 3 249.354 2.959 20 0 BFADHM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000864962836 589402547 /nfs/dbraw/zinc/40/25/47/589402547.db2.gz XICAAAAKRPHLFU-LMLFDSFASA-N -1 3 231.295 2.623 20 0 BFADHM CCc1csc([C@@H](C)[N-]C(=O)C(C)(F)F)n1 ZINC000866059801 589474330 /nfs/dbraw/zinc/47/43/30/589474330.db2.gz UWPSWBOZVJLBRQ-ZCFIWIBFSA-N -1 3 248.298 2.538 20 0 BFADHM C[C@H](OC(=O)c1cn[n-]c1-c1ccco1)C1CC1 ZINC000870172521 589646681 /nfs/dbraw/zinc/64/66/81/589646681.db2.gz SYOTWUZUNCFSQS-QMMMGPOBSA-N -1 3 246.266 2.625 20 0 BFADHM C[C@H](OC(=O)c1c[n-]nc1-c1ccco1)C1CC1 ZINC000870172521 589646682 /nfs/dbraw/zinc/64/66/82/589646682.db2.gz SYOTWUZUNCFSQS-QMMMGPOBSA-N -1 3 246.266 2.625 20 0 BFADHM CCC(F)(F)C(=O)[N-]Cc1cccc(F)c1F ZINC000871015425 589711973 /nfs/dbraw/zinc/71/19/73/589711973.db2.gz QGPJAMCQPMIXTC-UHFFFAOYSA-N -1 3 249.207 2.626 20 0 BFADHM Cc1[n-]n(Cc2ccccc2C)c(=O)c1C1CC1 ZINC000871945068 589838438 /nfs/dbraw/zinc/83/84/38/589838438.db2.gz WBEGDOQDJKKZAB-CQSZACIVSA-N -1 3 242.322 2.739 20 0 BFADHM C[C@H](N[C@@H]1CCSC1)c1cccc([O-])c1F ZINC000872048577 589860279 /nfs/dbraw/zinc/86/02/79/589860279.db2.gz JVNLIRNSFSUMDJ-DTWKUNHWSA-N -1 3 241.331 2.687 20 0 BFADHM CC[C@@H](CN[C@H](C)c1cccc([O-])c1F)OC ZINC000872072912 589864680 /nfs/dbraw/zinc/86/46/80/589864680.db2.gz LLCBJHJUVRQUEW-ZJUUUORDSA-N -1 3 241.306 2.607 20 0 BFADHM C[C@@H]1CCC[C@H](Nc2cc(Cl)n[n-]c2=O)C1 ZINC000872410577 589936604 /nfs/dbraw/zinc/93/66/04/589936604.db2.gz OCDATSPFTPEJDM-SFYZADRCSA-N -1 3 241.722 2.826 20 0 BFADHM C[C@H](Nc1cc(Cl)n[n-]c1=O)C1CCCC1 ZINC000872453526 589940781 /nfs/dbraw/zinc/94/07/81/589940781.db2.gz GTZHDZYTMIOBDP-ZETCQYMHSA-N -1 3 241.722 2.826 20 0 BFADHM CC(C)C(C)(C)CNc1cc(Cl)n[n-]c1=O ZINC000872518056 589946490 /nfs/dbraw/zinc/94/64/90/589946490.db2.gz GTPSJSUNIGYQDV-UHFFFAOYSA-N -1 3 243.738 2.930 20 0 BFADHM C[C@@H]1CCC[C@@H]1CNc1cc(Cl)n[n-]c1=O ZINC000872530734 589947790 /nfs/dbraw/zinc/94/77/90/589947790.db2.gz VYDKPHNNIRMPDY-HTQZYQBOSA-N -1 3 241.722 2.684 20 0 BFADHM CN(CCC(C)(C)C)c1cc(Cl)n[n-]c1=O ZINC000872582157 589954530 /nfs/dbraw/zinc/95/45/30/589954530.db2.gz HPWMDTRMEYZHHN-UHFFFAOYSA-N -1 3 243.738 2.708 20 0 BFADHM O=C(CCC1CCCCC1)[N-]OCC1CC1 ZINC000124228457 589965627 /nfs/dbraw/zinc/96/56/27/589965627.db2.gz HALCOIIIJVXEDE-UHFFFAOYSA-N -1 3 225.332 2.805 20 0 BFADHM CC(C)=C(C)CC(=O)[N-]OCc1ccccc1 ZINC000873834816 590074238 /nfs/dbraw/zinc/07/42/38/590074238.db2.gz CTELMQNPFNMPGK-UHFFFAOYSA-N -1 3 233.311 2.981 20 0 BFADHM C/C=C(\CC)C(=O)[N-]Oc1ccccc1F ZINC000874909402 590154151 /nfs/dbraw/zinc/15/41/51/590154151.db2.gz BPAYAJIZFCWHGR-YCRREMRBSA-N -1 3 223.247 2.592 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]Oc1ccccc1F ZINC000874909926 590154767 /nfs/dbraw/zinc/15/47/67/590154767.db2.gz IWLAHJVSNHVPHA-SECBINFHSA-N -1 3 225.263 2.672 20 0 BFADHM CCC/C(C)=C/C(=O)[N-]Oc1ccccc1F ZINC000874912155 590155251 /nfs/dbraw/zinc/15/52/51/590155251.db2.gz GTTSFIPVWDPVBV-MDZDMXLPSA-N -1 3 237.274 2.982 20 0 BFADHM CC(C)O[N-]C(=O)CC[C@H]1CCc2ccccc21 ZINC000880184350 590952441 /nfs/dbraw/zinc/95/24/41/590952441.db2.gz CMEKZXSFHWWVJO-CYBMUJFWSA-N -1 3 247.338 2.953 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@@H](CF)C2)c1 ZINC000880301730 590999073 /nfs/dbraw/zinc/99/90/73/590999073.db2.gz XOGMTAAQLNHXKZ-VIFPVBQESA-N -1 3 243.709 2.837 20 0 BFADHM CCCO[N-]C(=O)CC[C@H]1CCc2ccccc21 ZINC000880419883 591029075 /nfs/dbraw/zinc/02/90/75/591029075.db2.gz RTQYUDQEZGJXMB-CYBMUJFWSA-N -1 3 247.338 2.954 20 0 BFADHM CCO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000128469325 591079732 /nfs/dbraw/zinc/07/97/32/591079732.db2.gz VADDKHCPIJMWBM-UHFFFAOYSA-N -1 3 235.327 2.812 20 0 BFADHM Cc1cc(NC(=O)[N-]OCC(C)C)cs1 ZINC000880639415 591111957 /nfs/dbraw/zinc/11/19/57/591111957.db2.gz HOCDJUUJNDUVPP-UHFFFAOYSA-N -1 3 228.317 2.766 20 0 BFADHM CC1(C)C[C@@]1(C)CNc1cc(Cl)n[n-]c1=O ZINC000882783565 591437651 /nfs/dbraw/zinc/43/76/51/591437651.db2.gz CTQSAVKIIYTHQW-NSHDSACASA-N -1 3 241.722 2.684 20 0 BFADHM C=C/C=C\CCO[N-]C(=O)CC(C)(C)C ZINC000882992761 591498231 /nfs/dbraw/zinc/49/82/31/591498231.db2.gz MCHTUJDBGNRBKJ-SREVYHEPSA-N -1 3 211.305 2.603 20 0 BFADHM CCc1ccc(CCC(=O)[N-]OCC(C)C)cc1 ZINC000135336248 592008102 /nfs/dbraw/zinc/00/81/02/592008102.db2.gz SSTCQGKTHAJKRW-UHFFFAOYSA-N -1 3 249.354 2.885 20 0 BFADHM CC1(C(=O)[N-]OC2CCCC2)CCCC1 ZINC000135358538 592009407 /nfs/dbraw/zinc/00/94/07/592009407.db2.gz LDOJMACTIGSQKV-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM CCC(CC)CNc1cccc(-c2nnn[n-]2)c1 ZINC000037102093 608866633 /nfs/dbraw/zinc/86/66/33/608866633.db2.gz XBHROMDPQLUHOX-UHFFFAOYSA-N -1 3 245.330 2.715 20 0 BFADHM CCC(CC)CNc1cccc(-c2nn[n-]n2)c1 ZINC000037102093 608866637 /nfs/dbraw/zinc/86/66/37/608866637.db2.gz XBHROMDPQLUHOX-UHFFFAOYSA-N -1 3 245.330 2.715 20 0 BFADHM O=C1[N-]C(=O)C(=Cc2ccc(Cl)s2)S1 ZINC000012341837 631783791 /nfs/dbraw/zinc/78/37/91/631783791.db2.gz AHUGQHNBLMULAP-HYXAFXHYSA-N -1 3 245.712 2.725 20 0 BFADHM 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CJARJHJGCSVERK-HJWRWDBZSA-N -1 3 223.272 2.529 20 0 BFADHM C/C(=C\c1ccco1)C(=O)[N-]OC(C)(C)C ZINC001334427341 976514758 /nfs/dbraw/zinc/51/47/58/976514758.db2.gz CJARJHJGCSVERK-CMDGGOBGSA-N -1 3 223.272 2.529 20 0 BFADHM Cc1nn(C)cc1Nc1cccc(Cl)c1[O-] ZINC001174335394 976555101 /nfs/dbraw/zinc/55/51/01/976555101.db2.gz IUKPSWRXRBJMPP-UHFFFAOYSA-N -1 3 237.690 2.831 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc2c[nH]nc2c1 ZINC001174498530 976717814 /nfs/dbraw/zinc/71/78/14/976717814.db2.gz NLBKQNMEDPBBRV-UHFFFAOYSA-N -1 3 244.229 2.546 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc2cn[nH]c2c1 ZINC001174498530 976717829 /nfs/dbraw/zinc/71/78/29/976717829.db2.gz NLBKQNMEDPBBRV-UHFFFAOYSA-N -1 3 244.229 2.546 20 0 BFADHM Cc1n[nH]cc1Nc1cccc([O-])c1Cl ZINC001174476278 976792147 /nfs/dbraw/zinc/79/21/47/976792147.db2.gz BIBPVMMWRAMETC-UHFFFAOYSA-N -1 3 223.663 2.821 20 0 BFADHM Cc1nc(Nc2cccc3[nH]ccc32)cc(=O)[n-]1 ZINC001174646570 976913640 /nfs/dbraw/zinc/91/36/40/976913640.db2.gz AAPVQHFBCNSKMA-UHFFFAOYSA-N -1 3 240.266 2.716 20 0 BFADHM Cc1ncc(Nc2cccc3[nH]ccc32)c(=O)[n-]1 ZINC001174648213 976928617 /nfs/dbraw/zinc/92/86/17/976928617.db2.gz WLYGROPKPWUQPW-UHFFFAOYSA-N -1 3 240.266 2.716 20 0 BFADHM Cc1nc(O[C@H]2CCCC[C@H]2C)c(C)c(=O)[n-]1 ZINC001229684429 976943414 /nfs/dbraw/zinc/94/34/14/976943414.db2.gz AQMCVMGZESKLLF-KCJUWKMLSA-N -1 3 236.315 2.757 20 0 BFADHM Cc1cncc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001174754146 977048275 /nfs/dbraw/zinc/04/82/75/977048275.db2.gz DGZUOCMRHRJSEM-UHFFFAOYSA-N -1 3 242.282 2.507 20 0 BFADHM [O-]c1cc(Cl)cnc1Nc1cccc(O)c1 ZINC001174888808 977121323 /nfs/dbraw/zinc/12/13/23/977121323.db2.gz ZBOLJWTVWYCRMM-UHFFFAOYSA-N -1 3 236.658 2.890 20 0 BFADHM COc1c(C)cc(Nc2cnc[n-]c2=O)cc1C ZINC001174997559 977200514 /nfs/dbraw/zinc/20/05/14/977200514.db2.gz HRJJDCPNGXURRK-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM COc1cc(Nc2ncc(F)cc2[O-])ccc1C ZINC001175015438 977213737 /nfs/dbraw/zinc/21/37/37/977213737.db2.gz YRWGJYYYCLSQSC-UHFFFAOYSA-N -1 3 248.257 2.987 20 0 BFADHM Fc1ccc(F)c([N-]c2ccno2)c1F ZINC001175026971 977226216 /nfs/dbraw/zinc/22/62/16/977226216.db2.gz YEKXSHICLCCPTD-UHFFFAOYSA-N -1 3 214.146 2.836 20 0 BFADHM [O-]c1cccc(Nc2ccncc2F)c1Cl ZINC001175201417 977305548 /nfs/dbraw/zinc/30/55/48/977305548.db2.gz ZSFKLYRJBYGHJA-UHFFFAOYSA-N -1 3 238.649 2.745 20 0 BFADHM CSc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001175287942 977351043 /nfs/dbraw/zinc/35/10/43/977351043.db2.gz BIKOYPSOZOPEJZ-UHFFFAOYSA-N -1 3 233.296 2.648 20 0 BFADHM CCn1cc(Nc2c(F)ccc([O-])c2F)cn1 ZINC001175262263 977362281 /nfs/dbraw/zinc/36/22/81/977362281.db2.gz ASSDDTUMCRSWCE-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM [O-]c1ccc(F)c(Nc2cncc(O)c2)c1F ZINC001175263942 977362790 /nfs/dbraw/zinc/36/27/90/977362790.db2.gz YZFYIDYMKHXSQF-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM c1csc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175425928 977426303 /nfs/dbraw/zinc/42/63/03/977426303.db2.gz XOUXINUHLAFHDS-UHFFFAOYSA-N -1 3 243.295 2.672 20 0 BFADHM CCc1cccc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001175550884 977523017 /nfs/dbraw/zinc/52/30/17/977523017.db2.gz HZBFLHXUAACQPA-UHFFFAOYSA-N -1 3 229.283 2.797 20 0 BFADHM [O-]c1cc(F)c(Nc2ccc(F)cn2)cc1F ZINC001175850475 977781711 /nfs/dbraw/zinc/78/17/11/977781711.db2.gz NWTYVWUJLOKKRV-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM COc1cc(Cl)cc([N-]c2nnc(C)o2)c1 ZINC001176343353 978032784 /nfs/dbraw/zinc/03/27/84/978032784.db2.gz CQFGYEZZHAEMTP-UHFFFAOYSA-N -1 3 239.662 2.784 20 0 BFADHM FC(F)(F)Oc1ccc([N-]c2nnco2)cc1 ZINC001176638170 978145086 /nfs/dbraw/zinc/14/50/86/978145086.db2.gz QBGXTVWJOTWISX-UHFFFAOYSA-N -1 3 245.160 2.712 20 0 BFADHM Cc1nc(Nc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC001176725491 978162960 /nfs/dbraw/zinc/16/29/60/978162960.db2.gz KUOJQJYCPYNWPW-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM [O-]c1c(F)ccc(CN2CCC3(CC3)C2)c1F ZINC001232933868 978339391 /nfs/dbraw/zinc/33/93/91/978339391.db2.gz NRMDKJTZYUENJP-UHFFFAOYSA-N -1 3 239.265 2.656 20 0 BFADHM CC(C)CN(C)Cc1ccc(F)c([O-])c1F ZINC001232932057 978341177 /nfs/dbraw/zinc/34/11/77/978341177.db2.gz ATKQQBWYQVUSRP-UHFFFAOYSA-N -1 3 229.270 2.758 20 0 BFADHM C[C@@H]1CCCN1Cc1ccc(F)c([O-])c1F ZINC001232932994 978342690 /nfs/dbraw/zinc/34/26/90/978342690.db2.gz CWJCTVOVVIZJQG-MRVPVSSYSA-N -1 3 227.254 2.655 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H]2C(C)(C)C)c([O-])c1 ZINC001337657378 978444648 /nfs/dbraw/zinc/44/46/48/978444648.db2.gz COFUYAMAHSWRMI-CYBMUJFWSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H]1C[C@H](F)CN1Cc1c(F)ccc([O-])c1F ZINC001233393245 978599575 /nfs/dbraw/zinc/59/95/75/978599575.db2.gz KMXIGACQEQFKGM-SFYZADRCSA-N -1 3 245.244 2.603 20 0 BFADHM Cc1cc([O-])c(Cl)cc1OC[C@H]1CCCO1 ZINC001233593027 978637397 /nfs/dbraw/zinc/63/73/97/978637397.db2.gz SPOJYLYTBYHBQH-SECBINFHSA-N -1 3 242.702 2.912 20 0 BFADHM CCC(CC)Oc1ccc2occ([O-])c2c1 ZINC001233676945 978670055 /nfs/dbraw/zinc/67/00/55/978670055.db2.gz AWDIPBWXBKJZTH-UHFFFAOYSA-N -1 3 220.268 2.829 20 0 BFADHM [O-]c1cccc(O[C@@H]2C[C@H]3C[C@H]3C2)c1F ZINC001233870869 978719492 /nfs/dbraw/zinc/71/94/92/978719492.db2.gz JTQGNCXGAWFMFE-AYMMMOKOSA-N -1 3 208.232 2.709 20 0 BFADHM O=C([O-])[C@@H](NCCF)c1cccc2ccccc21 ZINC001601672630 978829366 /nfs/dbraw/zinc/82/93/66/978829366.db2.gz JLDXMPJOSNTMEH-ZDUSSCGKSA-N -1 3 247.269 2.525 20 0 BFADHM CC[C@@H](COc1c([O-])cc(Cl)cc1F)OC ZINC001234444534 978836805 /nfs/dbraw/zinc/83/68/05/978836805.db2.gz QCZFRQQTYGLALJ-QMMMGPOBSA-N -1 3 248.681 2.989 20 0 BFADHM CCO[C@@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234444687 978837209 /nfs/dbraw/zinc/83/72/09/978837209.db2.gz SVAKCMNVDLPZSE-ZETCQYMHSA-N -1 3 248.681 2.989 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ncnc3cc[nH]c32)c1 ZINC001235900045 979188434 /nfs/dbraw/zinc/18/84/34/979188434.db2.gz SIRBKHIJMRKBHI-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM Cc1ccnnc1-c1cc([O-])cc(Cl)c1 ZINC001235899049 979188597 /nfs/dbraw/zinc/18/85/97/979188597.db2.gz BFBFRRBWTBJGKU-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM Nc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235899944 979189420 /nfs/dbraw/zinc/18/94/20/979189420.db2.gz PXFMWBWQAPKQAI-UHFFFAOYSA-N -1 3 220.659 2.690 20 0 BFADHM Nc1cccc(-c2cc([O-])cc(Cl)c2)n1 ZINC001235899759 979191017 /nfs/dbraw/zinc/19/10/17/979191017.db2.gz KBPJTBONTUKFMS-UHFFFAOYSA-N -1 3 220.659 2.690 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ncc(CF)cn2)c1 ZINC001235900552 979193981 /nfs/dbraw/zinc/19/39/81/979193981.db2.gz PGSXSKTVCMPCCH-UHFFFAOYSA-N -1 3 238.649 2.972 20 0 BFADHM [O-]c1cc(Cl)cc(-c2nccn3ccnc23)c1 ZINC001235907199 979202770 /nfs/dbraw/zinc/20/27/70/979202770.db2.gz SYLLMFLCTVWVLN-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM CCC1(CC)C[C@@H]1C(=O)Nc1cncc([O-])c1 ZINC001181878178 979349122 /nfs/dbraw/zinc/34/91/22/979349122.db2.gz KKPVSCTXHHZFOZ-LLVKDONJSA-N -1 3 234.299 2.552 20 0 BFADHM c1cc(C2CCCC2)ccc1-c1nnn[n-]1 ZINC001250040247 979477830 /nfs/dbraw/zinc/47/78/30/979477830.db2.gz ZARFCOQCAOPRCW-UHFFFAOYSA-N -1 3 214.272 2.524 20 0 BFADHM c1cc(C2CCCC2)ccc1-c1nn[n-]n1 ZINC001250040247 979477833 /nfs/dbraw/zinc/47/78/33/979477833.db2.gz ZARFCOQCAOPRCW-UHFFFAOYSA-N -1 3 214.272 2.524 20 0 BFADHM C[C@H]1C[C@@H]1CSc1ccc(-c2nnn[n-]2)cc1 ZINC001603869918 979534782 /nfs/dbraw/zinc/53/47/82/979534782.db2.gz BFZQDKSLBCAVLK-WCBMZHEXSA-N -1 3 246.339 2.615 20 0 BFADHM C[C@H]1C[C@@H]1CSc1ccc(-c2nn[n-]n2)cc1 ZINC001603869918 979534786 /nfs/dbraw/zinc/53/47/86/979534786.db2.gz BFZQDKSLBCAVLK-WCBMZHEXSA-N -1 3 246.339 2.615 20 0 BFADHM CC[C@@H](C)CNc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001604003670 979554034 /nfs/dbraw/zinc/55/40/34/979554034.db2.gz HGXSLOUBEAZUEK-SECBINFHSA-N -1 3 245.330 2.633 20 0 BFADHM CC[C@@H](C)CNc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001604003670 979554044 /nfs/dbraw/zinc/55/40/44/979554044.db2.gz HGXSLOUBEAZUEK-SECBINFHSA-N -1 3 245.330 2.633 20 0 BFADHM Cc1ccc(F)c(-c2cccc3ncnn32)c1[O-] ZINC001236402988 979580394 /nfs/dbraw/zinc/58/03/94/979580394.db2.gz GPYYSPMGEPBGMD-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM Cc1ccc(F)c(-c2cnc(F)nc2F)c1[O-] ZINC001236406315 979584782 /nfs/dbraw/zinc/58/47/82/979584782.db2.gz TWJMUQYVNXRUHU-UHFFFAOYSA-N -1 3 240.184 2.575 20 0 BFADHM Oc1cncc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001236584967 979669843 /nfs/dbraw/zinc/66/98/43/979669843.db2.gz NEGLPLRYQNPLEC-UHFFFAOYSA-N -1 3 242.303 2.750 20 0 BFADHM CC/C=C\CNCc1ccc(C(=O)[O-])cc1F ZINC001605185488 979832379 /nfs/dbraw/zinc/83/23/79/979832379.db2.gz ATLRBTGFTMRGGG-ARJAWSKDSA-N -1 3 237.274 2.580 20 0 BFADHM [S-]c1ccoc1CN1CCc2occc2C1 ZINC001237183934 979835528 /nfs/dbraw/zinc/83/55/28/979835528.db2.gz NILLVABZPRHAIQ-UHFFFAOYSA-N -1 3 235.308 2.720 20 0 BFADHM C[C@@H]1CCC[C@H](C(=O)Nc2cncc([O-])c2)C1 ZINC001184501973 980097626 /nfs/dbraw/zinc/09/76/26/980097626.db2.gz CVNOZKJEMYQIDS-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM c1nocc1[N-]c1nc(-c2ccncc2)cs1 ZINC001203232368 980348525 /nfs/dbraw/zinc/34/85/25/980348525.db2.gz UAELDBJUJXBFHU-UHFFFAOYSA-N -1 3 244.279 2.937 20 0 BFADHM C=Cc1ccc(C(=O)Nc2cncc([O-])c2)cc1 ZINC001186498897 980381083 /nfs/dbraw/zinc/38/10/83/980381083.db2.gz JXRFHBHSKYPWRZ-UHFFFAOYSA-N -1 3 240.262 2.683 20 0 BFADHM Fc1cc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001239467740 980595845 /nfs/dbraw/zinc/59/58/45/980595845.db2.gz HYOBCIZREYYWEC-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1cc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001239467740 980595852 /nfs/dbraw/zinc/59/58/52/980595852.db2.gz HYOBCIZREYYWEC-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@@H](C)CC12CC2 ZINC001188649213 980676985 /nfs/dbraw/zinc/67/69/85/980676985.db2.gz VEZXCKSUZTXQSP-JTQLQIEISA-N -1 3 245.322 2.715 20 0 BFADHM Fc1ccccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001239556182 980736154 /nfs/dbraw/zinc/73/61/54/980736154.db2.gz QFPHZVREPWHVRY-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM Fc1ccccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001239556182 980736156 /nfs/dbraw/zinc/73/61/56/980736156.db2.gz QFPHZVREPWHVRY-UHFFFAOYSA-N -1 3 240.241 2.673 20 0 BFADHM CC(C)OCCc1cc(F)cc(F)c1[O-] ZINC001250407114 980941245 /nfs/dbraw/zinc/94/12/45/980941245.db2.gz IALIQHNVTTXDAY-UHFFFAOYSA-N -1 3 216.227 2.638 20 0 BFADHM COc1ccnc(F)c1-c1cc(F)ccc1[O-] ZINC001240699267 981616394 /nfs/dbraw/zinc/61/63/94/981616394.db2.gz OOYPZLYKEYNSAL-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM CCOc1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240781765 981818507 /nfs/dbraw/zinc/81/85/07/981818507.db2.gz IJJGENWHYCEXFH-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM CC(=O)Nc1cccc(-c2ccc([O-])c(F)c2)n1 ZINC001240782000 981818583 /nfs/dbraw/zinc/81/85/83/981818583.db2.gz NYLXMFNUIPPUEP-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM COc1ccnc(-c2ccc([O-])c(F)c2)c1 ZINC001240783197 981821808 /nfs/dbraw/zinc/82/18/08/981821808.db2.gz ONLPWUWCYHZPFF-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM COc1cc(-c2ccc([O-])c(F)c2)cnc1C ZINC001240785918 981828487 /nfs/dbraw/zinc/82/84/87/981828487.db2.gz UHWHYWJEJYLPLO-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1nc(C)ccc1-c1ccc([O-])c(F)c1 ZINC001240786395 981828844 /nfs/dbraw/zinc/82/88/44/981828844.db2.gz KHBIJPVEACIZLX-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1nccc(-c2ccc([O-])c(F)c2)c1C ZINC001240786342 981829475 /nfs/dbraw/zinc/82/94/75/981829475.db2.gz HQCLZTXNPJMYLR-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1nc2[nH]cnc2cc1-c1ccc([O-])c(F)c1 ZINC001240787078 981831572 /nfs/dbraw/zinc/83/15/72/981831572.db2.gz KFUQTFJSHMVCED-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM Nc1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC001240786899 981833408 /nfs/dbraw/zinc/83/34/08/981833408.db2.gz AQQMRSHZVHXAIA-UHFFFAOYSA-N -1 3 221.206 2.920 20 0 BFADHM CCc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1 ZINC001585740501 981942222 /nfs/dbraw/zinc/94/22/22/981942222.db2.gz KSAOOVKZYPKNSQ-LLVKDONJSA-N -1 3 247.338 2.731 20 0 BFADHM Cc1cnc(-c2cc(C(=O)[O-])ccc2C)cc1N ZINC001241000913 982083803 /nfs/dbraw/zinc/08/38/03/982083803.db2.gz WJZBWUUSEZBKQN-UHFFFAOYSA-N -1 3 242.278 2.646 20 0 BFADHM [O-]c1ccccc1-c1ccnc(C(F)(F)F)n1 ZINC001241001924 982088019 /nfs/dbraw/zinc/08/80/19/982088019.db2.gz MJFLGOJGYJFRAQ-UHFFFAOYSA-N -1 3 240.184 2.868 20 0 BFADHM Cc1[nH]c2ncnc(-c3ccccc3[O-])c2c1C ZINC001241003662 982093573 /nfs/dbraw/zinc/09/35/73/982093573.db2.gz RRSYVUCIEUYCLM-UHFFFAOYSA-N -1 3 239.278 2.947 20 0 BFADHM CC[C@@H](C)OC(=O)Nc1cc(F)ccc1[O-] ZINC001195118418 982097850 /nfs/dbraw/zinc/09/78/50/982097850.db2.gz ZJOOVURDIYTPAS-SSDOTTSWSA-N -1 3 227.235 2.878 20 0 BFADHM Cc1cnc2c(ccnc2-c2ccccc2[O-])n1 ZINC001241008703 982101457 /nfs/dbraw/zinc/10/14/57/982101457.db2.gz KDPILYIANWQYRT-UHFFFAOYSA-N -1 3 237.262 2.706 20 0 BFADHM CSc1cncc(-c2ccc(C)cc2[O-])n1 ZINC001241036209 982136724 /nfs/dbraw/zinc/13/67/24/982136724.db2.gz RLVZVAHWACZKAC-UHFFFAOYSA-N -1 3 232.308 2.880 20 0 BFADHM Fc1ccc(F)c(-c2ccc(=S)[n-]n2)c1F ZINC001241047218 982151683 /nfs/dbraw/zinc/15/16/83/982151683.db2.gz XKKIIRQKPQUPDR-UHFFFAOYSA-N -1 3 242.225 2.850 20 0 BFADHM [O-]c1cc(F)c(-c2cncc3[nH]cnc32)c(F)c1 ZINC001241120596 982244083 /nfs/dbraw/zinc/24/40/83/982244083.db2.gz BWGOKLQPQDIYJG-UHFFFAOYSA-N -1 3 247.204 2.609 20 0 BFADHM Cc1ncnc(-c2cc([O-])cc(F)c2)c1C ZINC001241255946 982391073 /nfs/dbraw/zinc/39/10/73/982391073.db2.gz HYSWUPBLDCLIGI-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM [O-]c1cc(F)cc(-c2ncnc3occc32)c1 ZINC001241257539 982394153 /nfs/dbraw/zinc/39/41/53/982394153.db2.gz KQSJGHSKVHPSRV-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM CCOc1ccnc(-c2cc([O-])cc(F)c2)c1 ZINC001241256415 982394232 /nfs/dbraw/zinc/39/42/32/982394232.db2.gz VBRDJAIAHBRKKY-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM COc1nc(C)nc(-c2cc([O-])cc(F)c2)c1C ZINC001241261756 982397764 /nfs/dbraw/zinc/39/77/64/982397764.db2.gz PUILDEZJJODPMT-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM CCCOc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241261403 982397819 /nfs/dbraw/zinc/39/78/19/982397819.db2.gz NPKYAJQBHRXTDY-UHFFFAOYSA-N -1 3 248.257 2.777 20 0 BFADHM Cc1nc(C)c(C)c(-c2cc([O-])cc(F)c2)n1 ZINC001241261450 982398134 /nfs/dbraw/zinc/39/81/34/982398134.db2.gz ONCORZPEQNOWCZ-UHFFFAOYSA-N -1 3 232.258 2.914 20 0 BFADHM CC(C)Oc1cncc(-c2cc([O-])cc(F)c2)n1 ZINC001241261246 982398886 /nfs/dbraw/zinc/39/88/86/982398886.db2.gz HWPOSYGXQYXDQX-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM Cc1nc2c(-c3cc([O-])cc(F)c3)cccn2n1 ZINC001241267467 982403088 /nfs/dbraw/zinc/40/30/88/982403088.db2.gz VZGHVLQADACWMK-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM COc1ncc(-c2cc([O-])cc(F)c2)cc1C ZINC001241266407 982404058 /nfs/dbraw/zinc/40/40/58/982404058.db2.gz JIOGZQSZWKXRKB-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1cc(F)cc(-c2ccc(F)nc2F)c1 ZINC001241272643 982405967 /nfs/dbraw/zinc/40/59/67/982405967.db2.gz UWGSKMGXYQCNQG-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM CC(C)n1ccc(-c2cc([O-])cc(F)c2)cc1=O ZINC001241277953 982408071 /nfs/dbraw/zinc/40/80/71/982408071.db2.gz RZIVALVSBZZJJR-UHFFFAOYSA-N -1 3 247.269 2.941 20 0 BFADHM [O-]c1ccc(F)c(-c2nccc3[nH]cnc32)c1F ZINC001241291236 982428110 /nfs/dbraw/zinc/42/81/10/982428110.db2.gz UKZPMVLEJHSPOV-UHFFFAOYSA-N -1 3 247.204 2.609 20 0 BFADHM [O-]c1ccc(F)c(-c2nccc3nc[nH]c32)c1F ZINC001241291236 982428129 /nfs/dbraw/zinc/42/81/29/982428129.db2.gz UKZPMVLEJHSPOV-UHFFFAOYSA-N -1 3 247.204 2.609 20 0 BFADHM CN1CC=C(c2ccccc2/C=C/C(=O)[O-])CC1 ZINC001241327782 982487456 /nfs/dbraw/zinc/48/74/56/982487456.db2.gz QSYWVSQYZKVWGJ-VOTSOKGWSA-N -1 3 243.306 2.503 20 0 BFADHM CC/C=C\CCOc1ccccc1-c1nnn[n-]1 ZINC001590531730 982949718 /nfs/dbraw/zinc/94/97/18/982949718.db2.gz FSTQTEXZVSARNC-ARJAWSKDSA-N -1 3 244.298 2.602 20 0 BFADHM CC/C=C\CCOc1ccccc1-c1nn[n-]n1 ZINC001590531730 982949726 /nfs/dbraw/zinc/94/97/26/982949726.db2.gz FSTQTEXZVSARNC-ARJAWSKDSA-N -1 3 244.298 2.602 20 0 BFADHM CCCSc1cccc(F)c1-c1nnn[n-]1 ZINC001590651850 982971372 /nfs/dbraw/zinc/97/13/72/982971372.db2.gz MZCKFYYSYCMTOD-UHFFFAOYSA-N -1 3 238.291 2.508 20 0 BFADHM Fc1cc(-c2nnn[n-]2)cc(C2=CCCCC2)c1 ZINC001241719896 982997633 /nfs/dbraw/zinc/99/76/33/982997633.db2.gz ZBCHZZLEHQDHEQ-UHFFFAOYSA-N -1 3 244.273 2.963 20 0 BFADHM Fc1cc(-c2nn[n-]n2)cc(C2=CCCCC2)c1 ZINC001241719896 982997652 /nfs/dbraw/zinc/99/76/52/982997652.db2.gz ZBCHZZLEHQDHEQ-UHFFFAOYSA-N -1 3 244.273 2.963 20 0 BFADHM CC[C@@H](C)NC(=S)Nc1ccc(F)c([O-])c1 ZINC001200482693 983045824 /nfs/dbraw/zinc/04/58/24/983045824.db2.gz NHHGDCDKWIZLSY-SSDOTTSWSA-N -1 3 242.319 2.616 20 0 BFADHM C=Cc1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241956089 983169796 /nfs/dbraw/zinc/16/97/96/983169796.db2.gz HCBWPTQYUBOCCC-UHFFFAOYSA-N -1 3 249.277 2.572 20 0 BFADHM C=Cc1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241956089 983169801 /nfs/dbraw/zinc/16/98/01/983169801.db2.gz HCBWPTQYUBOCCC-UHFFFAOYSA-N -1 3 249.277 2.572 20 0 BFADHM c1ccc(-c2nnn[n-]2)c(SCCC2CC2)c1 ZINC001593569421 983303586 /nfs/dbraw/zinc/30/35/86/983303586.db2.gz JGKIZRMDBLMVNQ-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM c1ccc(-c2nn[n-]n2)c(SCCC2CC2)c1 ZINC001593569421 983303595 /nfs/dbraw/zinc/30/35/95/983303595.db2.gz JGKIZRMDBLMVNQ-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM COCOc1ccc(-c2ccc(F)cc2[O-])cn1 ZINC001242219364 983419208 /nfs/dbraw/zinc/41/92/08/983419208.db2.gz GDONLSOIAUBCJZ-UHFFFAOYSA-N 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NCc1cccc(-c2cccc(Cl)c2[O-])n1 ZINC001242363486 983653678 /nfs/dbraw/zinc/65/36/78/983653678.db2.gz AQXUAUAOIIWRQY-UHFFFAOYSA-N -1 3 234.686 2.566 20 0 BFADHM CC(C)(C)NC(=O)Nc1cc([O-])cc(Cl)c1 ZINC001202483407 983749977 /nfs/dbraw/zinc/74/99/77/983749977.db2.gz YDJDLJSUQYBSLI-UHFFFAOYSA-N -1 3 242.706 2.966 20 0 BFADHM CCOc1cccc(-c2ccc(F)c([O-])c2)n1 ZINC001243047781 984390320 /nfs/dbraw/zinc/39/03/20/984390320.db2.gz FXMOBSOGAWVNJR-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM COc1cncc(-c2ccc(F)c([O-])c2)c1C ZINC001243048182 984393540 /nfs/dbraw/zinc/39/35/40/984393540.db2.gz JQZNPAJCJFZDJL-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1nnc(-c2ccc(F)c([O-])c2)c(C)c1C ZINC001243049058 984396679 /nfs/dbraw/zinc/39/66/79/984396679.db2.gz LAKKLGHSTLFJAW-UHFFFAOYSA-N -1 3 232.258 2.914 20 0 BFADHM [O-]c1cc(-c2cnc3c(c2)CCCN3)ccc1F ZINC001243049777 984399198 /nfs/dbraw/zinc/39/91/98/984399198.db2.gz FPWPCFHKXDBGQC-UHFFFAOYSA-N -1 3 244.269 2.594 20 0 BFADHM COc1cc(-c2ccc(F)c([O-])c2)cnc1OC ZINC001243049422 984399493 /nfs/dbraw/zinc/39/94/93/984399493.db2.gz NSQTVGIFIVTELH-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM [O-]c1cc(-c2cc(F)nc(F)c2)ccc1F ZINC001243049609 984400334 /nfs/dbraw/zinc/40/03/34/984400334.db2.gz RURAGMBWBBJVJF-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM [O-]c1cc(-c2cccc3nccn32)ccc1F ZINC001243049709 984400477 /nfs/dbraw/zinc/40/04/77/984400477.db2.gz SRDTUXXGRBJNFS-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM COc1ccc(-c2ccc(F)c([O-])c2)c(F)n1 ZINC001243049686 984401587 /nfs/dbraw/zinc/40/15/87/984401587.db2.gz FFTDOXUGRVXQCV-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM [O-]c1cc(-c2cccn3ccnc23)ccc1F ZINC001243050751 984403166 /nfs/dbraw/zinc/40/31/66/984403166.db2.gz WNRGHZQGGOBWAV-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM [O-]c1cc(-c2ccnc(F)c2F)ccc1F ZINC001243051443 984408247 /nfs/dbraw/zinc/40/82/47/984408247.db2.gz MIBZYSHMDPKPFA-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM COc1cccc(N)c1-c1ccc(F)c([O-])c1 ZINC001243050963 984408350 /nfs/dbraw/zinc/40/83/50/984408350.db2.gz IVBWUUXYRIBQAU-UHFFFAOYSA-N -1 3 233.242 2.789 20 0 BFADHM Cc1nc2cc(-c3ccc(F)c([O-])c3)ccn2n1 ZINC001243051610 984411358 /nfs/dbraw/zinc/41/13/58/984411358.db2.gz OKYVMSUOOVSSFA-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM CCCc1cc(-c2ccc(F)c([O-])c2)ncn1 ZINC001243051641 984412640 /nfs/dbraw/zinc/41/26/40/984412640.db2.gz WJVMQEFJDCLHKX-UHFFFAOYSA-N -1 3 232.258 2.941 20 0 BFADHM COc1nc(C)nc(-c2ccc(F)c([O-])c2)c1C ZINC001243050871 984413070 /nfs/dbraw/zinc/41/30/70/984413070.db2.gz UIWYHXMUMQJMIY-UHFFFAOYSA-N -1 3 248.257 2.614 20 0 BFADHM CCc1ncncc1-c1ccc(F)c([O-])c1 ZINC001243062175 984448734 /nfs/dbraw/zinc/44/87/34/984448734.db2.gz KMANFOCHXPMYJS-UHFFFAOYSA-N -1 3 218.231 2.551 20 0 BFADHM [O-]c1cccc(-c2ncnc3cccnc32)c1F ZINC001243541506 985071825 /nfs/dbraw/zinc/07/18/25/985071825.db2.gz CFYFOHUWKKZMHV-UHFFFAOYSA-N -1 3 241.225 2.537 20 0 BFADHM CCCc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243544984 985078931 /nfs/dbraw/zinc/07/89/31/985078931.db2.gz ZTAWKYKUPUUDBD-UHFFFAOYSA-N -1 3 232.258 2.941 20 0 BFADHM Cc1ncc(-c2cccc([O-])c2F)nc1C ZINC001243544798 985084550 /nfs/dbraw/zinc/08/45/50/985084550.db2.gz YXGOJQSYPMWNFY-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM [O-]c1cccc(-c2cncc(F)c2)c1F ZINC001243545199 985085232 /nfs/dbraw/zinc/08/52/32/985085232.db2.gz XJLKSKJSZUQTKA-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM Cc1nc2c(-c3cccc([O-])c3F)cccn2n1 ZINC001243544653 985085540 /nfs/dbraw/zinc/08/55/40/985085540.db2.gz IUABHNLBHUJEKT-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM [O-]c1cccc(-c2cccc3nccn32)c1F ZINC001243544993 985085700 /nfs/dbraw/zinc/08/57/00/985085700.db2.gz MOODGUVAQCBZFX-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM COc1ncc(-c2cccc([O-])c2F)cc1C ZINC001243546086 985090738 /nfs/dbraw/zinc/09/07/38/985090738.db2.gz HXPJHIIXSOBOJC-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM [O-]c1cccc(-c2cc(F)nc(F)c2)c1F ZINC001243547363 985097178 /nfs/dbraw/zinc/09/71/78/985097178.db2.gz 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CC1(C)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000351570393 136246970 /nfs/dbraw/zinc/24/69/70/136246970.db2.gz ZOSRCJMUCWCOHB-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM Cc1occc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174875067 346888177 /nfs/dbraw/zinc/88/81/77/346888177.db2.gz XKXNVVYSWJBLDG-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM O=c1c2ccc([O-])cc2cnn1C1CCCCC1 ZINC000634594323 342952374 /nfs/dbraw/zinc/95/23/74/342952374.db2.gz RQRIDJKRMWTFCS-UHFFFAOYSA-N -1 3 244.294 2.607 20 0 BFADHM CCc1cc(C(=O)N(C)[C@@H]2CC2(C)C)ccc1[O-] ZINC000487487075 529511037 /nfs/dbraw/zinc/51/10/37/529511037.db2.gz HSBAXEYRSULWRA-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000487373052 529519265 /nfs/dbraw/zinc/51/92/65/529519265.db2.gz BHDMPQFBBMUGHT-GXFFZTMASA-N -1 3 247.338 2.873 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000019840033 342959490 /nfs/dbraw/zinc/95/94/90/342959490.db2.gz XYBDIMQUQHGLFH-RYUDHWBXSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1[n-]n([C@@H](C)C2CC2)c(=O)c1C(C)C ZINC000634597080 342973257 /nfs/dbraw/zinc/97/32/57/342973257.db2.gz AJWYJGPIGDGCBF-JOYOIKCWSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@H]3CCC[C@@H](C)C3)c(=O)c21 ZINC000634599187 342987361 /nfs/dbraw/zinc/98/73/61/342987361.db2.gz COEHRJYBZDBFHS-HNCHTBHHSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(C3CCCCCC3)c(=O)c21 ZINC000634603291 342998022 /nfs/dbraw/zinc/99/80/22/342998022.db2.gz VNEOQRILXJSWIS-GWCFXTLKSA-N -1 3 234.343 2.954 20 0 BFADHM Cc1[n-]n([C@@H]2CCCC2(C)C)c(=O)c1C1CC1 ZINC000634625183 343028769 /nfs/dbraw/zinc/02/87/69/343028769.db2.gz AMGKANNKCSZEHS-VXGBXAGGSA-N -1 3 234.343 2.809 20 0 BFADHM Cc1cc(OCC2CCC2)cc2occ([O-])c21 ZINC000634560368 362049318 /nfs/dbraw/zinc/04/93/18/362049318.db2.gz FWGLTNLQDJBXQI-UHFFFAOYSA-N -1 3 232.279 2.749 20 0 BFADHM Cc1cc(OCCC2CC2)cc2occ([O-])c21 ZINC000634561211 362050192 /nfs/dbraw/zinc/05/01/92/362050192.db2.gz QVEGGQDYCNZZLN-UHFFFAOYSA-N -1 3 232.279 2.749 20 0 BFADHM CC[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507253918 529691436 /nfs/dbraw/zinc/69/14/36/529691436.db2.gz SQYGQPJMNJGFNN-QMMMGPOBSA-N -1 3 229.270 2.901 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCC=C(C)C)c1 ZINC000480910964 529691762 /nfs/dbraw/zinc/69/17/62/529691762.db2.gz RXDJGPFYGMBZJT-UHFFFAOYSA-N -1 3 233.311 2.651 20 0 BFADHM O=C([O-])c1cnccc1NCCCC(F)(F)F ZINC000149513477 343196747 /nfs/dbraw/zinc/19/67/47/343196747.db2.gz LALZVLSFLFHZPR-UHFFFAOYSA-N -1 3 248.204 2.534 20 0 BFADHM Cc1cc(CN2C[C@H]3CCC[C@@H]3C2)oc1C(=O)[O-] ZINC000159988139 343203011 /nfs/dbraw/zinc/20/30/11/343203011.db2.gz GAIYIXVOSAKNCK-GHMZBOCLSA-N -1 3 249.310 2.518 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC000037173920 343337664 /nfs/dbraw/zinc/33/76/64/343337664.db2.gz KDADJFUEVOWAFM-SNVBAGLBSA-N -1 3 221.300 2.510 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2[C@@H](C)C2(F)F)c([O-])c1 ZINC000335705288 136335560 /nfs/dbraw/zinc/33/55/60/136335560.db2.gz ZTDXZFWYILXUBN-GMSGAONNSA-N -1 3 241.237 2.540 20 0 BFADHM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000166846442 136364325 /nfs/dbraw/zinc/36/43/25/136364325.db2.gz VOBJJRLHSKFWLO-UTUOFQBUSA-N -1 3 247.338 2.899 20 0 BFADHM CC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000082879323 343469622 /nfs/dbraw/zinc/46/96/22/343469622.db2.gz DKHASFYGUUDZOS-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM CO[C@@H](C)CN(C)Cc1cc([O-])ccc1Cl ZINC000625427356 343728190 /nfs/dbraw/zinc/72/81/90/343728190.db2.gz BBDUQCPGBYELFZ-VIFPVBQESA-N -1 3 243.734 2.512 20 0 BFADHM Fc1ccc(-c2ccc(=S)[n-]n2)c(F)c1 ZINC000236165594 343795466 /nfs/dbraw/zinc/79/54/66/343795466.db2.gz GWEAFPGJMTZBJQ-UHFFFAOYSA-N -1 3 224.235 2.711 20 0 BFADHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432264 488236242 /nfs/dbraw/zinc/23/62/42/488236242.db2.gz VMEMIKIAUNZQNL-QMMMGPOBSA-N -1 3 225.288 2.517 20 0 BFADHM Cc1ccc([O-])c(CN(CC(F)F)C(C)C)n1 ZINC000092045154 343952512 /nfs/dbraw/zinc/95/25/12/343952512.db2.gz NORMAJUGDJKOFP-UHFFFAOYSA-N -1 3 244.285 2.571 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H](C(C)C)C1CC1 ZINC000628137027 344213564 /nfs/dbraw/zinc/21/35/64/344213564.db2.gz UQEGZEJYPIKWQR-CQSZACIVSA-N -1 3 247.338 2.865 20 0 BFADHM C/C=C/CNCc1cccc([O-])c1Cl ZINC000385008867 344291485 /nfs/dbraw/zinc/29/14/85/344291485.db2.gz MYYRDOCWCSAMAF-NSCUHMNNSA-N -1 3 211.692 2.711 20 0 BFADHM CCc1cc(=O)[n-]c(CSC[C@H]2C[C@@H]2C)n1 ZINC000600621791 344341726 /nfs/dbraw/zinc/34/17/26/344341726.db2.gz KGLOXMKDSKZHQD-DTWKUNHWSA-N -1 3 238.356 2.634 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626085585 344729392 /nfs/dbraw/zinc/72/93/92/344729392.db2.gz SADQLCWLZOZSOG-HNNXBMFYSA-N -1 3 247.338 2.963 20 0 BFADHM O=C(CC1CC1)Nc1ccc([O-])cc1Cl ZINC000082879808 345790162 /nfs/dbraw/zinc/79/01/62/345790162.db2.gz PKJSGFZMBUANLV-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM Cc1cccc(C(=O)N(C)C(C)(C)C)c1[O-] ZINC000334799446 179004507 /nfs/dbraw/zinc/00/45/07/179004507.db2.gz CRFNYVPENZVHNE-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1[O-] ZINC000035207571 179005723 /nfs/dbraw/zinc/00/57/23/179005723.db2.gz MMZFDASMFPEBBH-JTQLQIEISA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@H]2C(C)C)c1[O-] ZINC000109477329 179010104 /nfs/dbraw/zinc/01/01/04/179010104.db2.gz DJBSVQLXAVOYKG-ZDUSSCGKSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1[O-] ZINC000088707572 179013012 /nfs/dbraw/zinc/01/30/12/179013012.db2.gz ACTPDIAGMOHJFB-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c1[O-] ZINC000148892426 179013340 /nfs/dbraw/zinc/01/33/40/179013340.db2.gz NPFHQYRFGVGDRP-TXEJJXNPSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c1[O-] ZINC000148892648 179013426 /nfs/dbraw/zinc/01/34/26/179013426.db2.gz NPFHQYRFGVGDRP-VXGBXAGGSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cccc(C(=O)NC2CCCCC2)c1[O-] ZINC000019836917 179014691 /nfs/dbraw/zinc/01/46/91/179014691.db2.gz UWCVTFFJWGQBNS-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM Cc1cccc(C(=O)NCC2CCCC2)c1[O-] ZINC000037251381 179016109 /nfs/dbraw/zinc/01/61/09/179016109.db2.gz ZQTYDHPCFMBAFN-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1cccc(CNCc2ncccc2[O-])c1C ZINC000355289391 179095801 /nfs/dbraw/zinc/09/58/01/179095801.db2.gz JQWZPLBJLYDZGT-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000070115741 349966763 /nfs/dbraw/zinc/96/67/63/349966763.db2.gz ATDWYACVYJBDMZ-WZRBSPASSA-N -1 3 247.338 2.947 20 0 BFADHM CCc1cnc(NC(=O)c2cccc([O-])c2)s1 ZINC000182522641 347097090 /nfs/dbraw/zinc/09/70/90/347097090.db2.gz JGMULQKGYQBWAY-UHFFFAOYSA-N -1 3 248.307 2.663 20 0 BFADHM Cc1cccc(F)c1NC([O-])=NOCC1CC1 ZINC000296796827 179110471 /nfs/dbraw/zinc/11/04/71/179110471.db2.gz LEHFRMJHAURORC-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cccc(F)c1NC(=O)[N-]OCC1CC1 ZINC000296796827 179110474 /nfs/dbraw/zinc/11/04/74/179110474.db2.gz LEHFRMJHAURORC-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)C(C)(F)F ZINC000294646735 179159777 /nfs/dbraw/zinc/15/97/77/179159777.db2.gz RXSAZNGRBHMCHW-QMMMGPOBSA-N -1 3 243.253 2.930 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCS1 ZINC000272400028 179160202 /nfs/dbraw/zinc/16/02/02/179160202.db2.gz DRPIQRWXPJDPAV-SNVBAGLBSA-N -1 3 237.324 2.535 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@H]1C=CCC1 ZINC000179548072 179160523 /nfs/dbraw/zinc/16/05/23/179160523.db2.gz XHUNWGLOHSKINP-NSHDSACASA-N -1 3 231.295 2.995 20 0 BFADHM CN(Cc1cccnc1)Cc1cc([O-])cc(F)c1 ZINC000186404084 347232570 /nfs/dbraw/zinc/23/25/70/347232570.db2.gz JTLVIBMOEZLBMI-UHFFFAOYSA-N -1 3 246.285 2.558 20 0 BFADHM Cc1ccc(NC(=O)c2ccc(C)cc2[O-])nc1 ZINC000019836551 347293838 /nfs/dbraw/zinc/29/38/38/347293838.db2.gz DQDGFLKZXAEAMM-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)[C@H]1CC12CC2 ZINC000616942985 347510937 /nfs/dbraw/zinc/51/09/37/347510937.db2.gz KFRNLVGNVBUNHZ-MRVPVSSYSA-N -1 3 237.686 2.784 20 0 BFADHM C[C@@H](CC(=O)Nc1ccccc1[O-])n1cccc1 ZINC000591094282 347617851 /nfs/dbraw/zinc/61/78/51/347617851.db2.gz GOEYPVPNXLLKBY-NSHDSACASA-N -1 3 244.294 2.784 20 0 BFADHM CC(C)[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000082879365 348910643 /nfs/dbraw/zinc/91/06/43/348910643.db2.gz NVHYOFUNJAAXKW-QMMMGPOBSA-N -1 3 225.263 2.762 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@H]1C ZINC000252561683 349201147 /nfs/dbraw/zinc/20/11/47/349201147.db2.gz WLXQCVDWQPCFQN-RKDXNWHRSA-N -1 3 223.272 2.523 20 0 BFADHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1 ZINC000618520130 350107431 /nfs/dbraw/zinc/10/74/31/350107431.db2.gz PMHNFYHIDAOIMP-OSMZGAPFSA-N -1 3 245.322 2.558 20 0 BFADHM CC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000035238847 358456759 /nfs/dbraw/zinc/45/67/59/358456759.db2.gz GSWLGFZMSTZVQF-NSHDSACASA-N -1 3 233.311 2.654 20 0 BFADHM Cc1conc1C(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000637389213 350522312 /nfs/dbraw/zinc/52/23/12/350522312.db2.gz IMYVCWCZVQGJOI-UHFFFAOYSA-N -1 3 249.270 2.521 20 0 BFADHM CCCC[C@H](C)C(=O)Nc1nc(C)ccc1[O-] ZINC000337584745 350597729 /nfs/dbraw/zinc/59/77/29/350597729.db2.gz DQRBPTBLDBHYOW-VIFPVBQESA-N -1 3 236.315 2.860 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000626320878 350966835 /nfs/dbraw/zinc/96/68/35/350966835.db2.gz LMZHYDSSSWLPOC-PWSUYJOCSA-N -1 3 247.338 2.819 20 0 BFADHM C/C=C(\CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000190004760 187487302 /nfs/dbraw/zinc/48/73/02/187487302.db2.gz KUBMIINGBBOXPF-ONNFQVAWSA-N -1 3 219.284 2.995 20 0 BFADHM CC1(C)CN(C(=O)c2cccc([O-])c2)[C@H]1C1CC1 ZINC000291889864 352293015 /nfs/dbraw/zinc/29/30/15/352293015.db2.gz JKSADDGNXSTGBH-ZDUSSCGKSA-N -1 3 245.322 2.653 20 0 BFADHM Cc1ccc(NC(=O)[C@H](C)CC(F)F)c([O-])c1 ZINC000411197255 191168666 /nfs/dbraw/zinc/16/86/66/191168666.db2.gz COXRZJFWBDYZHX-MRVPVSSYSA-N -1 3 243.253 2.930 20 0 BFADHM O=C(c1ccccc1[O-])N1C2CCCC1CCC2 ZINC000607866564 352347198 /nfs/dbraw/zinc/34/71/98/352347198.db2.gz BQUZQGZLIIVPLQ-UHFFFAOYSA-N -1 3 245.322 2.939 20 0 BFADHM CC(C)N(C(=O)c1cccc([O-])c1)C1CCC1 ZINC000334176575 352762097 /nfs/dbraw/zinc/76/20/97/352762097.db2.gz ANVNGJKMEPFLCA-UHFFFAOYSA-N -1 3 233.311 2.795 20 0 BFADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)C(C)(F)F ZINC000334221071 352823634 /nfs/dbraw/zinc/82/36/34/352823634.db2.gz SMJAGSORURHDDE-LURJTMIESA-N -1 3 247.216 2.761 20 0 BFADHM O=C(c1ccccc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000334197850 352789555 /nfs/dbraw/zinc/78/95/55/352789555.db2.gz NYDKYBIFJFEBAA-LBPRGKRZSA-N -1 3 245.322 2.654 20 0 BFADHM CSC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000334237352 352855094 /nfs/dbraw/zinc/85/50/94/352855094.db2.gz ITGMZVOUHCFGQT-UHFFFAOYSA-N -1 3 248.307 2.794 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1 ZINC000334248342 352840515 /nfs/dbraw/zinc/84/05/15/352840515.db2.gz XHRPRRHHYZEHPV-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM CC(C)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000037994825 188109177 /nfs/dbraw/zinc/10/91/77/188109177.db2.gz UEHISGLXGDEEHY-UHFFFAOYSA-N -1 3 247.747 2.697 20 0 BFADHM CC(C)=CCNC(=O)c1cc([O-])ccc1Cl ZINC000229158558 188185925 /nfs/dbraw/zinc/18/59/25/188185925.db2.gz WIYZJMPCTXLFLF-UHFFFAOYSA-N -1 3 239.702 2.742 20 0 BFADHM CCCCC(=O)Nc1ccc(OC)cc1[O-] ZINC000135418987 538115254 /nfs/dbraw/zinc/11/52/54/538115254.db2.gz PJQXTFWJERVRBE-UHFFFAOYSA-N -1 3 223.272 2.530 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227015825 491053828 /nfs/dbraw/zinc/05/38/28/491053828.db2.gz LHWLXGHUTZHQLY-SNVBAGLBSA-N -1 3 221.300 2.619 20 0 BFADHM CC[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000037915247 358479962 /nfs/dbraw/zinc/47/99/62/358479962.db2.gz XDUVJLGPHZQZMI-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000627976117 353879022 /nfs/dbraw/zinc/87/90/22/353879022.db2.gz RRABBTFPBOLQTD-SDDRHHMPSA-N -1 3 245.322 2.619 20 0 BFADHM C[C@H](C(=O)Nc1ccccc1[O-])C1CCC1 ZINC000334551072 353990943 /nfs/dbraw/zinc/99/09/43/353990943.db2.gz XDBIXKHDCJLNIM-VIFPVBQESA-N -1 3 219.284 2.767 20 0 BFADHM O=C(Cc1ccccc1)Nc1cccc([O-])c1F ZINC000179156428 366214197 /nfs/dbraw/zinc/21/41/97/366214197.db2.gz PYVDFATXSCIRAA-UHFFFAOYSA-N -1 3 245.253 2.713 20 0 BFADHM CC[C@H](NCc1nc(C)ccc1[O-])C(F)(F)F ZINC000345432602 354667449 /nfs/dbraw/zinc/66/74/49/354667449.db2.gz KFNALMPJXYVKQW-JTQLQIEISA-N -1 3 248.248 2.526 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C23CCC(CC2)C3)n1 ZINC000345918410 354826065 /nfs/dbraw/zinc/82/60/65/354826065.db2.gz AEEOQCFAEDYCDE-UHFFFAOYSA-N -1 3 246.310 2.614 20 0 BFADHM Cc1cccc(C(=O)N2CC(C)(C)C[C@@H]2C)c1[O-] ZINC000412788582 191316536 /nfs/dbraw/zinc/31/65/36/191316536.db2.gz ZHYMOIYOJXGRNT-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM CCc1cc(C(=O)N2[C@H](C)C[C@H]2C)ccc1[O-] ZINC000335874487 355641863 /nfs/dbraw/zinc/64/18/63/355641863.db2.gz WLWUVRRXVJSLBD-NXEZZACHSA-N -1 3 233.311 2.578 20 0 BFADHM COC(=O)c1sc(-c2ccccc2[O-])nc1C ZINC000335876184 355646139 /nfs/dbraw/zinc/64/61/39/355646139.db2.gz WIVWYZHAGGGWQQ-UHFFFAOYSA-N -1 3 249.291 2.611 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC=C(C)CC2)c1 ZINC000336118741 134089516 /nfs/dbraw/zinc/08/95/16/134089516.db2.gz HHHFWKYIDNJJIW-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM CCc1nc(C(=O)Nc2ccc(C)cc2[O-])co1 ZINC000336394659 356360092 /nfs/dbraw/zinc/36/00/92/356360092.db2.gz JQXUKVARQFFTTQ-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H]2C(C)C)c1[O-] ZINC000336144031 134101607 /nfs/dbraw/zinc/10/16/07/134101607.db2.gz CEIWLHLFNLCSTQ-GFCCVEGCSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1C ZINC000336157920 134106654 /nfs/dbraw/zinc/10/66/54/134106654.db2.gz LIQSZYIQCADMRZ-AOOOYVTPSA-N -1 3 233.311 2.632 20 0 BFADHM O=C(c1ccccc1[O-])N1CCCC12CCC2 ZINC000336159527 134107099 /nfs/dbraw/zinc/10/70/99/134107099.db2.gz YZUXBNKDQFSBQE-UHFFFAOYSA-N -1 3 231.295 2.551 20 0 BFADHM Cc1cccc([O-])c1NC(=O)Cc1ccsc1 ZINC000179560853 366271622 /nfs/dbraw/zinc/27/16/22/366271622.db2.gz BJWVTNBCFGXEFT-UHFFFAOYSA-N -1 3 247.319 2.943 20 0 BFADHM CO[C@@H](c1nc(-c2ccc([O-])cc2)no1)C(C)C ZINC000350566486 366300040 /nfs/dbraw/zinc/30/00/40/366300040.db2.gz CEGOVNIZVVHGNA-LLVKDONJSA-N -1 3 248.282 2.786 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H]2CC[C@H](C)C2)sc1C ZINC000450470025 202175705 /nfs/dbraw/zinc/17/57/05/202175705.db2.gz SKFJSQYVNJMAOZ-OIBJUYFYSA-N -1 3 238.356 2.677 20 0 BFADHM CC[C@H](NC(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000324142041 356747329 /nfs/dbraw/zinc/74/73/29/356747329.db2.gz WAVADXPCIFIYKO-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM CCC[C@H](C(=O)[O-])N(CC)Cc1cccs1 ZINC000216613728 357446691 /nfs/dbraw/zinc/44/66/91/357446691.db2.gz AJMYADJECWOAFZ-LLVKDONJSA-N -1 3 241.356 2.823 20 0 BFADHM C[C@@H]1CC[C@@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000230428708 357523994 /nfs/dbraw/zinc/52/39/94/357523994.db2.gz YCJXEFFJKSLLOA-GHMZBOCLSA-N -1 3 233.311 2.558 20 0 BFADHM CCc1occc1C(=O)Nc1ccc([O-])cc1F ZINC000234189138 357776393 /nfs/dbraw/zinc/77/63/93/357776393.db2.gz WCOXRYFESPSGAU-UHFFFAOYSA-N -1 3 249.241 2.939 20 0 BFADHM CC[C@H](C)c1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000628433188 357991465 /nfs/dbraw/zinc/99/14/65/357991465.db2.gz HTTMXWOMFDAKFC-VIFPVBQESA-N -1 3 244.298 2.571 20 0 BFADHM CC[C@H](C)c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000628433188 357991469 /nfs/dbraw/zinc/99/14/69/357991469.db2.gz HTTMXWOMFDAKFC-VIFPVBQESA-N -1 3 244.298 2.571 20 0 BFADHM CC[C@H](C)c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000628433188 357991470 /nfs/dbraw/zinc/99/14/70/357991470.db2.gz HTTMXWOMFDAKFC-VIFPVBQESA-N -1 3 244.298 2.571 20 0 BFADHM Cc1cc(CN2CCCC[C@H]2C)oc1C(=O)[O-] ZINC000036812743 358052398 /nfs/dbraw/zinc/05/23/98/358052398.db2.gz FQCSCSKTSWOIFR-SNVBAGLBSA-N -1 3 237.299 2.661 20 0 BFADHM Cc1cc(CN2CCCC[C@@H]2C)oc1C(=O)[O-] ZINC000036812741 358052877 /nfs/dbraw/zinc/05/28/77/358052877.db2.gz FQCSCSKTSWOIFR-JTQLQIEISA-N -1 3 237.299 2.661 20 0 BFADHM CCC(CC)CNC(=O)c1cc(C)ccc1[O-] ZINC000134382351 325356453 /nfs/dbraw/zinc/35/64/53/325356453.db2.gz YVYMUESBZUPHAD-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM Cc1noc([N-]Cc2ncc(C(C)C)s2)n1 ZINC000134838433 325378956 /nfs/dbraw/zinc/37/89/56/325378956.db2.gz JQYHPKPSPIGIPI-UHFFFAOYSA-N -1 3 238.316 2.570 20 0 BFADHM Cc1cc(C(=O)N[C@H](C)C(C)(C)C)ccc1[O-] ZINC000226997112 358346824 /nfs/dbraw/zinc/34/68/24/358346824.db2.gz FKFWYIHEUGBLRB-SNVBAGLBSA-N -1 3 235.327 2.865 20 0 BFADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccccc1Cl ZINC000042437555 358349064 /nfs/dbraw/zinc/34/90/64/358349064.db2.gz VTZKRCRWPCSYQI-VIFPVBQESA-N -1 3 241.718 2.635 20 0 BFADHM Cc1oc(CN(C)CCC(C)C)cc1C(=O)[O-] ZINC000042457335 358349764 /nfs/dbraw/zinc/34/97/64/358349764.db2.gz UYNZAMROHCPXPH-UHFFFAOYSA-N -1 3 239.315 2.764 20 0 BFADHM C[C@H](N(C)Cc1ccoc1C(=O)[O-])C(C)(C)C ZINC000042771031 358358394 /nfs/dbraw/zinc/35/83/94/358358394.db2.gz VYPUERZZTMPQSH-VIFPVBQESA-N -1 3 239.315 2.844 20 0 BFADHM Cc1cc(C(=O)N(C)[C@H](C)C2CCC2)ccc1[O-] ZINC000325359535 358450800 /nfs/dbraw/zinc/45/08/00/358450800.db2.gz OWBJAUHTHZDOBF-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(C)n1 ZINC000048427228 358635300 /nfs/dbraw/zinc/63/53/00/358635300.db2.gz JUQNFIURDFBXSB-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2CCC2(C)C)c([O-])c1 ZINC000613832798 363657283 /nfs/dbraw/zinc/65/72/83/363657283.db2.gz KZRMZEMPILROKE-JTQLQIEISA-N -1 3 249.310 2.776 20 0 BFADHM CCc1ccnc(C(=O)Nc2ccccc2[O-])c1 ZINC000180812662 366549346 /nfs/dbraw/zinc/54/93/46/366549346.db2.gz QWFKXHNOSIFQGW-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2ccc([O-])cc2F)[nH]1 ZINC000180851773 366554716 /nfs/dbraw/zinc/55/47/16/366554716.db2.gz ALPQPXJZLHUFPC-UHFFFAOYSA-N -1 3 248.257 2.729 20 0 BFADHM C[C@H]1CCN(c2ccncc2C(=O)[O-])C[C@@H](C)C1 ZINC000578511464 366584512 /nfs/dbraw/zinc/58/45/12/366584512.db2.gz RDNHWUIANUZRSA-QWRGUYRKSA-N -1 3 248.326 2.652 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1ccco1 ZINC000578509587 366584973 /nfs/dbraw/zinc/58/49/73/366584973.db2.gz NLAIKBRZXGAKIA-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM Cc1cccc(-c2nc([C@H]3C[C@@H]3C)no2)c1[O-] ZINC000088055509 359932989 /nfs/dbraw/zinc/93/29/89/359932989.db2.gz JPNXHQXPTWHMHM-WPRPVWTQSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1cc([C@H](C)N2CC[C@H](C)C2)oc1C(=O)[O-] ZINC000578899737 366670921 /nfs/dbraw/zinc/67/09/21/366670921.db2.gz DHTYEAJGOAOKPP-WPRPVWTQSA-N -1 3 237.299 2.689 20 0 BFADHM COc1ccccc1NCc1nc(C)ccc1[O-] ZINC000091993462 360144437 /nfs/dbraw/zinc/14/44/37/360144437.db2.gz CNTXFRUTMLXTLQ-UHFFFAOYSA-N -1 3 244.294 2.716 20 0 BFADHM CC1(C)C(CNC(=O)c2cccc([O-])c2)C1(C)C ZINC000092819656 360202515 /nfs/dbraw/zinc/20/25/15/360202515.db2.gz IILCSVWSLJGKOF-UHFFFAOYSA-N -1 3 247.338 2.804 20 0 BFADHM CC1(C)CC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000613025888 360293334 /nfs/dbraw/zinc/29/33/34/360293334.db2.gz FJSSVEVXXXDOCN-SECBINFHSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1CC2(CC2)C1 ZINC000613028982 360293377 /nfs/dbraw/zinc/29/33/77/360293377.db2.gz VGCJWWYVIIXPDY-UHFFFAOYSA-N -1 3 235.258 2.660 20 0 BFADHM Cc1cscc1CNC(=O)c1cccc([O-])c1 ZINC000094879064 360324928 /nfs/dbraw/zinc/32/49/28/360324928.db2.gz MSWXLIAZYZJQCZ-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CC(C)S(=O)(=O)[N-]c1csc(Cl)c1 ZINC000306535303 360399274 /nfs/dbraw/zinc/39/92/74/360399274.db2.gz JLFHNCZWJBKZAI-UHFFFAOYSA-N -1 3 239.749 2.552 20 0 BFADHM O=C([O-])[C@@H]1CCN(CC2=CCCC2)[C@@H]2CCC[C@@H]21 ZINC000629373589 361023696 /nfs/dbraw/zinc/02/36/96/361023696.db2.gz KAGLHVVLWYAVGJ-MGPQQGTHSA-N -1 3 249.354 2.672 20 0 BFADHM CC(C)(C)CCC(=O)Nc1cccc2n[n-]nc21 ZINC000640380609 361190051 /nfs/dbraw/zinc/19/00/51/361190051.db2.gz UYFBWMWUNRYUGM-UHFFFAOYSA-N -1 3 246.314 2.723 20 0 BFADHM CCCC[C@@H](C)C(=O)Nc1cccc2n[n-]nc21 ZINC000640380141 361190406 /nfs/dbraw/zinc/19/04/06/361190406.db2.gz OFLARGCBOQQQTM-SECBINFHSA-N -1 3 246.314 2.723 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)[C@H]2CC2(C)C)c1 ZINC000428198293 201002086 /nfs/dbraw/zinc/00/20/86/201002086.db2.gz JIFKIVDAQNQGRS-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM CC(C)OC(=O)c1cc2sccc2[n-]1 ZINC000428883567 201047110 /nfs/dbraw/zinc/04/71/10/201047110.db2.gz PVBZHPWBJOXEIS-UHFFFAOYSA-N -1 3 209.270 2.795 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1ccc(C)cc1[O-] ZINC000037113686 361677203 /nfs/dbraw/zinc/67/72/03/361677203.db2.gz XUAQSATUSLOZBC-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C)c([O-])c1C ZINC000436484567 201328267 /nfs/dbraw/zinc/32/82/67/201328267.db2.gz MXIAICKGWAHKNH-MFKMUULPSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C)c([O-])c1C ZINC000436484565 201328944 /nfs/dbraw/zinc/32/89/44/201328944.db2.gz MXIAICKGWAHKNH-GXFFZTMASA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)N[C@@H](C)CC2CC2)c([O-])c1C ZINC000436553921 201330885 /nfs/dbraw/zinc/33/08/85/201330885.db2.gz INMJVLXTKRRNNA-JTQLQIEISA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c([O-])c1C ZINC000436562059 201330974 /nfs/dbraw/zinc/33/09/74/201330974.db2.gz IOIGCCASPRCTEA-KOLCDFICSA-N -1 3 247.338 2.880 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c([O-])c1C ZINC000436562060 201331131 /nfs/dbraw/zinc/33/11/31/201331131.db2.gz IOIGCCASPRCTEA-MWLCHTKSSA-N -1 3 247.338 2.880 20 0 BFADHM CCc1ccc(C(=O)NCCC(C)C)c([O-])c1 ZINC000436802797 201335832 /nfs/dbraw/zinc/33/58/32/201335832.db2.gz KHOUMRGHMZVMKR-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1C ZINC000436796900 201336451 /nfs/dbraw/zinc/33/64/51/201336451.db2.gz XOQCLJLILVXIIU-GFCCVEGCSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)NCC2CCCC2)c([O-])c1C ZINC000436762630 201336897 /nfs/dbraw/zinc/33/68/97/201336897.db2.gz SHCGXXKOHALLJY-UHFFFAOYSA-N -1 3 247.338 2.929 20 0 BFADHM C[C@H]1CN(C(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000436822908 201337662 /nfs/dbraw/zinc/33/76/62/201337662.db2.gz XWPSWRRUBGBQKD-LLVKDONJSA-N -1 3 247.338 2.900 20 0 BFADHM CCc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000436831382 201337777 /nfs/dbraw/zinc/33/77/77/201337777.db2.gz FWNGNHQWSIILTC-MNOVXSKESA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)N(CC)C2CCC2)c([O-])c1 ZINC000436832759 201339472 /nfs/dbraw/zinc/33/94/72/201339472.db2.gz KEDBRMYOZFGUJH-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1ccc(C(=O)NC[C@@H]2CC2(C)C)c([O-])c1C ZINC000436946909 201340169 /nfs/dbraw/zinc/34/01/69/201340169.db2.gz PTTFXZMNCNHQAD-NSHDSACASA-N -1 3 247.338 2.785 20 0 BFADHM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccccc1[O-] ZINC000436914588 201340602 /nfs/dbraw/zinc/34/06/02/201340602.db2.gz KECVWWVANDXNAG-QWRGUYRKSA-N -1 3 247.338 2.947 20 0 BFADHM CC(C)(C)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436945433 201341592 /nfs/dbraw/zinc/34/15/92/201341592.db2.gz GCMQWLUVUZEKBY-UHFFFAOYSA-N -1 3 247.338 2.799 20 0 BFADHM C[C@@H]1CC[C@@H](c2nc3cccc(F)c3c(=O)[n-]2)O1 ZINC000630385702 364099896 /nfs/dbraw/zinc/09/98/96/364099896.db2.gz RMAGMSXZFHRMAY-XCBNKYQSSA-N -1 3 248.257 2.715 20 0 BFADHM C[C@@H]1CC[C@H](c2nc3cccc(F)c3c(=O)[n-]2)O1 ZINC000630385699 364100253 /nfs/dbraw/zinc/10/02/53/364100253.db2.gz RMAGMSXZFHRMAY-GMSGAONNSA-N -1 3 248.257 2.715 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2C=CCCC2)c([O-])c1 ZINC000157593776 193003601 /nfs/dbraw/zinc/00/36/01/193003601.db2.gz UQNDSUSSSHITDS-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM O=C([N-]c1ccncc1F)c1ccoc1Cl ZINC000192349767 365331075 /nfs/dbraw/zinc/33/10/75/365331075.db2.gz KOGOHKJEVGBEQR-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CCc1cc(C(=O)N2CCC2(C)C)ccc1[O-] ZINC000579663383 366938103 /nfs/dbraw/zinc/93/81/03/366938103.db2.gz TWOVIZUUXYBLSJ-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccc(NCc2cc([O-])cc(F)c2)nc1 ZINC000185478059 367133318 /nfs/dbraw/zinc/13/33/18/367133318.db2.gz RGLUTWJYOLYUQL-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM CC[C@@H](C)c1n[n-]c(=NC(C)(C)C)n1C1CC1 ZINC000581137905 367274173 /nfs/dbraw/zinc/27/41/73/367274173.db2.gz GOEIQPUAWZCVHA-SECBINFHSA-N -1 3 236.363 2.759 20 0 BFADHM CC[C@H](C)c1n[n-]c(=NC(C)(C)C)n1C1CC1 ZINC000581137906 367275002 /nfs/dbraw/zinc/27/50/02/367275002.db2.gz GOEIQPUAWZCVHA-VIFPVBQESA-N -1 3 236.363 2.759 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC2(C)C)c([O-])c1 ZINC000383380747 367618185 /nfs/dbraw/zinc/61/81/85/367618185.db2.gz BCMXKMVWYSGWOS-GFCCVEGCSA-N -1 3 233.311 2.619 20 0 BFADHM CCc1ccc(C(=O)NCCCC2CC2)c([O-])c1 ZINC000622381350 370880016 /nfs/dbraw/zinc/88/00/16/370880016.db2.gz MBBKWDASTUUDQL-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM C[C@@H](N(C)Cc1ccoc1C(=O)[O-])C1(C)CC1 ZINC000385207547 367807719 /nfs/dbraw/zinc/80/77/19/367807719.db2.gz VEIZQFDZPDFQKB-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM CCOc1ccccc1/C=C\C(=O)[N-]OC(C)C ZINC000386099095 367912959 /nfs/dbraw/zinc/91/29/59/367912959.db2.gz QUNGAXJJPDNVED-KTKRTIGZSA-N -1 3 249.310 2.555 20 0 BFADHM CC(C)N(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000566358548 326036556 /nfs/dbraw/zinc/03/65/56/326036556.db2.gz JXGCXIMXACHROH-UHFFFAOYSA-N -1 3 239.340 2.819 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000458289687 203155835 /nfs/dbraw/zinc/15/58/35/203155835.db2.gz WOOCVYQBBVQTKU-MDZLAQPJSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1occc1CNC(=O)c1ccc(C)cc1[O-] ZINC000618835646 369224260 /nfs/dbraw/zinc/22/42/60/369224260.db2.gz TUIQIMAWIWSRJA-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM C[C@H]1CCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000620396380 369864931 /nfs/dbraw/zinc/86/49/31/369864931.db2.gz WWBUWEKHDNDGPS-JTQLQIEISA-N -1 3 245.322 2.505 20 0 BFADHM Cc1cc(C(=O)N(C)C[C@H]2CC2(C)C)ccc1[O-] ZINC000621044215 370078474 /nfs/dbraw/zinc/07/84/74/370078474.db2.gz PFIRUIPXVWJWJG-GFCCVEGCSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H]2C)c1[O-] ZINC000112640852 370337676 /nfs/dbraw/zinc/33/76/76/370337676.db2.gz JJVCXKAORXJZCJ-IMTBSYHQSA-N -1 3 239.702 2.949 20 0 BFADHM O=C(NC1CCC2(CC2)CC1)c1cccc([O-])c1 ZINC000277690015 182108343 /nfs/dbraw/zinc/10/83/43/182108343.db2.gz VAFOXVAXRMKVTO-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM CC(C)(F)CNC(=O)c1cc([O-])ccc1Cl ZINC000633721490 373712156 /nfs/dbraw/zinc/71/21/56/373712156.db2.gz IRCHLSOJGPVTSO-UHFFFAOYSA-N -1 3 245.681 2.524 20 0 BFADHM O=C([N-]OCc1ccccc1)C1=CCCCC1 ZINC000154355319 182283544 /nfs/dbraw/zinc/28/35/44/182283544.db2.gz QRNLKTOVJGMSKN-UHFFFAOYSA-N -1 3 231.295 2.735 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC1(F)F ZINC000296592530 182354313 /nfs/dbraw/zinc/35/43/13/182354313.db2.gz SCHZPYLQPCXZKW-LURJTMIESA-N -1 3 247.628 2.639 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC1(F)F ZINC000296592533 182354350 /nfs/dbraw/zinc/35/43/50/182354350.db2.gz SCHZPYLQPCXZKW-ZCFIWIBFSA-N -1 3 247.628 2.639 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1CC(F)(F)C1 ZINC000336357406 182361457 /nfs/dbraw/zinc/36/14/57/182361457.db2.gz GPDPHFZLRNSYJC-UHFFFAOYSA-N -1 3 245.200 2.515 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ncoc1C1CC1 ZINC000336466478 182380017 /nfs/dbraw/zinc/38/00/17/182380017.db2.gz KQTMTXPEBIPSEI-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM O=C([O-])c1ccc(CN2CC3(C2)CCCC3)cc1 ZINC000093966721 182564954 /nfs/dbraw/zinc/56/49/54/182564954.db2.gz RCVWNZBECXGYNQ-UHFFFAOYSA-N -1 3 245.322 2.761 20 0 BFADHM CCCN(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000037097614 169046419 /nfs/dbraw/zinc/04/64/19/169046419.db2.gz OUYMNWSSKKEVDU-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM [O-]c1ccc(CNc2cccc(CO)c2)cc1F ZINC000083376622 183167422 /nfs/dbraw/zinc/16/74/22/183167422.db2.gz CLBOZFCRGGVVJZ-UHFFFAOYSA-N -1 3 247.269 2.636 20 0 BFADHM CCCN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000227017615 169118460 /nfs/dbraw/zinc/11/84/60/169118460.db2.gz HSTWSWSOMCJZQD-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM [O-]c1ccc(-c2noc([C@H]3CCCCO3)n2)cc1 ZINC000050964216 183266438 /nfs/dbraw/zinc/26/64/38/183266438.db2.gz RQOLILVYQKGLRK-LLVKDONJSA-N -1 3 246.266 2.684 20 0 BFADHM [O-]c1ccc(-c2noc(CCC3CC3)n2)cc1 ZINC000265190174 183266527 /nfs/dbraw/zinc/26/65/27/183266527.db2.gz USHWCTCMROBKKB-UHFFFAOYSA-N -1 3 230.267 2.785 20 0 BFADHM CCCN(CC1CC1)C(=O)c1ccccc1[O-] ZINC000042208472 169136321 /nfs/dbraw/zinc/13/63/21/169136321.db2.gz WNCSVIHZBUDYTB-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM CCCN(CCC)C(=O)c1cccc(C)c1[O-] ZINC000019837748 169145268 /nfs/dbraw/zinc/14/52/68/169145268.db2.gz MQHCRCWTWPELJF-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM [O-]c1cc(F)ccc1-c1cccc(O)c1 ZINC000065339961 183286177 /nfs/dbraw/zinc/28/61/77/183286177.db2.gz YPXRCJGEZCENQR-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cncc(-c2c(F)cc(F)cc2F)c1 ZINC000065339293 183304677 /nfs/dbraw/zinc/30/46/77/183304677.db2.gz OVSNNQFIUOMLEA-UHFFFAOYSA-N -1 3 225.169 2.872 20 0 BFADHM c1ccc(-c2nc(SCC3CCC3)n[n-]2)nc1 ZINC000172926007 183382397 /nfs/dbraw/zinc/38/23/97/183382397.db2.gz OKLCIQGGACYIPY-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM CCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000085263204 169310843 /nfs/dbraw/zinc/31/08/43/169310843.db2.gz KIWGWZBYTHHWPG-UHFFFAOYSA-N -1 3 243.306 2.840 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000087777641 383865278 /nfs/dbraw/zinc/86/52/78/383865278.db2.gz NYVWXFFCSRCVIK-SMDDNHRTSA-N -1 3 245.322 2.797 20 0 BFADHM CSCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067138961 383908746 /nfs/dbraw/zinc/90/87/46/383908746.db2.gz JPSSKKPROHDQKC-UHFFFAOYSA-N -1 3 245.731 2.737 20 0 BFADHM C[C@H](c1ccco1)N(C)Cc1ncccc1[O-] ZINC000558398270 383982766 /nfs/dbraw/zinc/98/27/66/383982766.db2.gz QOJQBHHEHLJVOY-SNVBAGLBSA-N -1 3 232.283 2.573 20 0 BFADHM C[C@@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000070308308 384097972 /nfs/dbraw/zinc/09/79/72/384097972.db2.gz LSKQUJNADNIHLT-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM CCN(CC1CCC1)C(=O)c1cccc(C)c1[O-] ZINC000230319130 259646853 /nfs/dbraw/zinc/64/68/53/259646853.db2.gz VMOQIFBJUVPKQT-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000335947633 384161721 /nfs/dbraw/zinc/16/17/21/384161721.db2.gz MSOACPNANNKDGC-AAEUAGOBSA-N -1 3 245.322 2.715 20 0 BFADHM CC[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000082879376 384273561 /nfs/dbraw/zinc/27/35/61/384273561.db2.gz AJONUCBDHSQILR-SSDOTTSWSA-N -1 3 211.236 2.516 20 0 BFADHM CC(C)CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133141089 384274991 /nfs/dbraw/zinc/27/49/91/384274991.db2.gz HAZAWCCFKNLIDW-UHFFFAOYSA-N -1 3 239.290 2.584 20 0 BFADHM O=C([O-])CCNCc1cc(Cl)ccc1Cl ZINC000083698852 384321726 /nfs/dbraw/zinc/32/17/26/384321726.db2.gz VWAFRHPAJCAHEC-UHFFFAOYSA-N -1 3 248.109 2.558 20 0 BFADHM Cc1nscc1C(=O)Nc1ccc(C)cc1[O-] ZINC000181071979 384433795 /nfs/dbraw/zinc/43/37/95/384433795.db2.gz MJTHYFGYVPVKBU-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccc([O-])c(-c2nc(CC3CC3)no2)c1 ZINC000149310341 384474801 /nfs/dbraw/zinc/47/48/01/384474801.db2.gz RBXJDVGDJCAWLH-UHFFFAOYSA-N -1 3 230.267 2.703 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000148890109 384476700 /nfs/dbraw/zinc/47/67/00/384476700.db2.gz VSHOIYSVBJGWGB-VXGBXAGGSA-N -1 3 245.322 2.573 20 0 BFADHM CC[C@@H](C)C[S@](=O)c1cccc([O-])c1 ZINC000184031356 384553672 /nfs/dbraw/zinc/55/36/72/384553672.db2.gz VXMDHQKMJLBHSC-OTYXRUKQSA-N -1 3 212.314 2.546 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C)c1 ZINC000050566624 384635161 /nfs/dbraw/zinc/63/51/61/384635161.db2.gz QAZNGQCIJKSODA-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM CCO[N-]C(=O)Nc1ccccc1CSC ZINC000184806963 384650378 /nfs/dbraw/zinc/65/03/78/384650378.db2.gz QPTFNXLLESCSNC-UHFFFAOYSA-N -1 3 240.328 2.623 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000167535166 384761193 /nfs/dbraw/zinc/76/11/93/384761193.db2.gz BZWCVCBPFGBERX-LLVKDONJSA-N -1 3 221.300 2.671 20 0 BFADHM CCO[N-]C(=O)CCCc1cc(C)sc1C ZINC000084580341 384882480 /nfs/dbraw/zinc/88/24/80/384882480.db2.gz PKRUTYYQSHEOSM-UHFFFAOYSA-N -1 3 241.356 2.755 20 0 BFADHM CC(C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174879012 384845160 /nfs/dbraw/zinc/84/51/60/384845160.db2.gz ZZDUUCLZRDINBL-UHFFFAOYSA-N -1 3 225.263 2.906 20 0 BFADHM Cc1csc(CNC(=O)c2cccc([O-])c2)c1 ZINC000336145082 384924815 /nfs/dbraw/zinc/92/48/15/384924815.db2.gz QTMRKCNQAZMMAL-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CC(C)CO[N-]C(=O)CCCc1ccccc1 ZINC000085262363 384930072 /nfs/dbraw/zinc/93/00/72/384930072.db2.gz HDQCHSLAJDIGSE-UHFFFAOYSA-N -1 3 235.327 2.713 20 0 BFADHM CC(C)(C)CCC(=O)N=c1cc2ccccn2[n-]1 ZINC000557531136 385006857 /nfs/dbraw/zinc/00/68/57/385006857.db2.gz RECHDEKUODLDFI-UHFFFAOYSA-N -1 3 245.326 2.521 20 0 BFADHM CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000188589479 385066758 /nfs/dbraw/zinc/06/67/58/385066758.db2.gz KTIWHSQKLQFIHS-SNVBAGLBSA-N -1 3 245.344 2.527 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC000336311147 385155197 /nfs/dbraw/zinc/15/51/97/385155197.db2.gz FDMISFNHMLCUMZ-CQSZACIVSA-N -1 3 233.311 2.654 20 0 BFADHM CCC[C@H](C)N(C)Cc1cc(C(=O)[O-])oc1C ZINC000051361417 385242368 /nfs/dbraw/zinc/24/23/68/385242368.db2.gz HLFSELOHLZXJCE-VIFPVBQESA-N -1 3 239.315 2.907 20 0 BFADHM C[C@@H](c1ccco1)N(C)C(=O)c1cccc([O-])c1 ZINC000181897827 385443775 /nfs/dbraw/zinc/44/37/75/385443775.db2.gz XNASVEFSQZXMKJ-JTQLQIEISA-N -1 3 245.278 2.818 20 0 BFADHM CO[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000179721692 385487774 /nfs/dbraw/zinc/48/77/74/385487774.db2.gz CJQQHJBOTZTHBL-UHFFFAOYSA-N -1 3 243.306 2.840 20 0 BFADHM CCC[C@@H](OC)c1noc(-c2ccccc2[O-])n1 ZINC000157392851 385500617 /nfs/dbraw/zinc/50/06/17/385500617.db2.gz HZMBUYVWOXPLEG-LLVKDONJSA-N -1 3 248.282 2.930 20 0 BFADHM O=C(CCCc1ccccc1)[N-]OCC1CCC1 ZINC000157996351 385542589 /nfs/dbraw/zinc/54/25/89/385542589.db2.gz IGEBIAJINQLQCT-UHFFFAOYSA-N -1 3 247.338 2.857 20 0 BFADHM Cc1ccc(F)cc1NC(=O)[N-]OCC(C)C ZINC000158205870 385553857 /nfs/dbraw/zinc/55/38/57/385553857.db2.gz CGUAOXPEGUYNFG-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM CCOc1nc2ccc(C(=O)OC(C)C)cc2[n-]1 ZINC000339984059 385613760 /nfs/dbraw/zinc/61/37/60/385613760.db2.gz LUAHSXDGVRWKKD-UHFFFAOYSA-N -1 3 248.282 2.527 20 0 BFADHM CCOc1nc2cc(C(=O)OC(C)C)ccc2[n-]1 ZINC000339984059 385613763 /nfs/dbraw/zinc/61/37/63/385613763.db2.gz LUAHSXDGVRWKKD-UHFFFAOYSA-N -1 3 248.282 2.527 20 0 BFADHM Cc1cc(CN(C)CC2CCC2)oc1C(=O)[O-] ZINC000061479525 385739648 /nfs/dbraw/zinc/73/96/48/385739648.db2.gz IMZLUHXPKKEOPG-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H]2CC)ccc1[O-] ZINC000294125906 385810286 /nfs/dbraw/zinc/81/02/86/385810286.db2.gz TUDIPNFTMLQUHU-GFCCVEGCSA-N -1 3 233.311 2.579 20 0 BFADHM CC(C)c1ccoc1C(=O)[N-]c1nncs1 ZINC000283907771 385838065 /nfs/dbraw/zinc/83/80/65/385838065.db2.gz INXXKOLUGNNRGI-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CC(F)F ZINC000413664248 385854463 /nfs/dbraw/zinc/85/44/63/385854463.db2.gz DIZXQXAPRMGZBZ-MRVPVSSYSA-N -1 3 243.253 2.930 20 0 BFADHM Cc1noc([N-]C(=O)c2cc(C(C)C)oc2C)n1 ZINC000285229955 385908044 /nfs/dbraw/zinc/90/80/44/385908044.db2.gz YFEOYUMBAYBNLS-UHFFFAOYSA-N -1 3 249.270 2.655 20 0 BFADHM CC(C)(C)CNC(=O)c1cc([O-])ccc1Cl ZINC000232501135 385872236 /nfs/dbraw/zinc/87/22/36/385872236.db2.gz CHSSLJBFMAXCED-UHFFFAOYSA-N -1 3 241.718 2.822 20 0 BFADHM CCN(CC)Cc1c(F)ccc([O-])c1F ZINC000295010521 385941354 /nfs/dbraw/zinc/94/13/54/385941354.db2.gz VNJMZAKHAKRYNT-UHFFFAOYSA-N -1 3 215.243 2.512 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000335015824 385973737 /nfs/dbraw/zinc/97/37/37/385973737.db2.gz CZDREMKPWWYAEQ-SDBXPKJASA-N -1 3 235.258 2.660 20 0 BFADHM Cc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000273493044 386007175 /nfs/dbraw/zinc/00/71/75/386007175.db2.gz WSXXGACLNWMDAK-UHFFFAOYSA-N -1 3 218.256 2.874 20 0 BFADHM CN(Cc1cccc(C(=O)[O-])c1)[C@@H]1CC1(C)C ZINC000414639673 386030447 /nfs/dbraw/zinc/03/04/47/386030447.db2.gz QFJIWSZBXMNFPF-GFCCVEGCSA-N -1 3 233.311 2.615 20 0 BFADHM Cc1ccc(CCC(=O)[N-]OC(C)C)c(C)c1 ZINC000295776961 386084185 /nfs/dbraw/zinc/08/41/85/386084185.db2.gz XOVHEOADITXLOL-UHFFFAOYSA-N -1 3 235.327 2.692 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CC=CC[C@H]2C)n1 ZINC000355489588 386151011 /nfs/dbraw/zinc/15/10/11/386151011.db2.gz HQRLMXIRQWFBQQ-MWLCHTKSSA-N -1 3 246.310 2.636 20 0 BFADHM CCOc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296583765 386185283 /nfs/dbraw/zinc/18/52/83/386185283.db2.gz YYNDCCHRHYMGJK-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CCOc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296583765 386185288 /nfs/dbraw/zinc/18/52/88/386185288.db2.gz YYNDCCHRHYMGJK-UHFFFAOYSA-N -1 3 238.287 2.547 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(CC)c(Cl)c1 ZINC000287625838 386136783 /nfs/dbraw/zinc/13/67/83/386136783.db2.gz IHTDZRKYRFWEHV-UHFFFAOYSA-N -1 3 242.706 2.975 20 0 BFADHM CC[C@H](NC(=O)c1cccc([O-])c1)[C@@H]1CC1(C)C ZINC000416279563 386255234 /nfs/dbraw/zinc/25/52/34/386255234.db2.gz ULJVHLCTWOTZIQ-STQMWFEESA-N -1 3 247.338 2.947 20 0 BFADHM CCc1ccc(C(=O)N(C)C2CCCC2)c([O-])c1 ZINC000276162473 386281286 /nfs/dbraw/zinc/28/12/86/386281286.db2.gz TVUIWZDZQDITQY-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1ccc(C(=O)N2CC[C@H](C)[C@H]2C)c([O-])c1 ZINC000188244572 386320914 /nfs/dbraw/zinc/32/09/14/386320914.db2.gz HZIFJTPGLPYAMH-WDEREUQCSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@@H](C)CC2)ccc1[O-] ZINC000226717376 386369286 /nfs/dbraw/zinc/36/92/86/386369286.db2.gz PJWZOOSCXHEHAE-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227022229 386448749 /nfs/dbraw/zinc/44/87/49/386448749.db2.gz CNXPWQFRVMDWCO-MWLCHTKSSA-N -1 3 235.327 2.865 20 0 BFADHM CCc1cc(=O)[n-]c(CN2CCCCC[C@@H]2C)n1 ZINC000336704917 386394767 /nfs/dbraw/zinc/39/47/67/386394767.db2.gz RMBFFOHWULSQDF-NSHDSACASA-N -1 3 249.358 2.509 20 0 BFADHM CCc1cc(=O)[n-]c(CN2CCCCC[C@H]2C)n1 ZINC000336704902 386395462 /nfs/dbraw/zinc/39/54/62/386395462.db2.gz RMBFFOHWULSQDF-LLVKDONJSA-N -1 3 249.358 2.509 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H](C)[C@H]2C)ccc1[O-] ZINC000291737732 386576298 /nfs/dbraw/zinc/57/62/98/386576298.db2.gz CSHABOALUXMAIS-WDEREUQCSA-N -1 3 247.338 2.825 20 0 BFADHM COC(=O)c1cnc(SC2CCCCC2)[n-]1 ZINC000278767728 386580464 /nfs/dbraw/zinc/58/04/64/386580464.db2.gz YAOVMFHUZHKIHT-UHFFFAOYSA-N -1 3 240.328 2.621 20 0 BFADHM CCc1cc(C(=O)N(C)CC(C)C)ccc1[O-] ZINC000291454972 386548040 /nfs/dbraw/zinc/54/80/40/386548040.db2.gz KBUZQVZGNFDYRZ-UHFFFAOYSA-N -1 3 235.327 2.683 20 0 BFADHM CC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000267528508 386551353 /nfs/dbraw/zinc/55/13/53/386551353.db2.gz PEOWDHWSZOPLGM-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM FC(F)(F)c1csc(=N[C@@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC000425312216 386555879 /nfs/dbraw/zinc/55/58/79/386555879.db2.gz YXHGVJOBRPNGFR-KVSKUHBBSA-N -1 3 248.273 2.794 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1C ZINC000292208630 386634172 /nfs/dbraw/zinc/63/41/72/386634172.db2.gz OFQFYWOJBBCTIE-LLVKDONJSA-N -1 3 235.327 2.631 20 0 BFADHM Cc1ccc(C(=O)N(C)C(C)(C)C)c([O-])c1C ZINC000335519875 386656395 /nfs/dbraw/zinc/65/63/95/386656395.db2.gz BCKZJVVPVXOBRI-UHFFFAOYSA-N -1 3 235.327 2.880 20 0 BFADHM CCc1cc(C(=O)N2C[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000291980582 386604653 /nfs/dbraw/zinc/60/46/53/386604653.db2.gz QVAJQIYDSUSJOX-PHIMTYICSA-N -1 3 247.338 2.683 20 0 BFADHM CCc1cc(C(=O)N(C)CCC2CC2)ccc1[O-] ZINC000292059835 386616666 /nfs/dbraw/zinc/61/66/66/386616666.db2.gz GCSADWMULWERKH-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1ccc(C(=O)NC2CCCC2)c([O-])c1 ZINC000188469777 386670112 /nfs/dbraw/zinc/67/01/12/386670112.db2.gz PQGBUCWYKKNKNM-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CCC1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000279485524 386687394 /nfs/dbraw/zinc/68/73/94/386687394.db2.gz OHKCCIBEGODQGO-NSHDSACASA-N -1 3 249.358 2.674 20 0 BFADHM CCO[N-]C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000279780760 386734091 /nfs/dbraw/zinc/73/40/91/386734091.db2.gz UELGOKKSMXWXEH-SNVBAGLBSA-N -1 3 246.310 2.729 20 0 BFADHM Cc1ccc(C)c(NC(=O)[N-]OCC2CC2)c1 ZINC000292718901 386715220 /nfs/dbraw/zinc/71/52/20/386715220.db2.gz HPFXTWGCZYRZDO-UHFFFAOYSA-N -1 3 234.299 2.767 20 0 BFADHM O=C(NC1(C2CCC2)CCC1)c1cccc([O-])c1 ZINC000334777098 386827987 /nfs/dbraw/zinc/82/79/87/386827987.db2.gz WSMXGMWUXWWBLP-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM CS[C@H](C)CNCc1cccc([O-])c1Cl ZINC000293413055 386843518 /nfs/dbraw/zinc/84/35/18/386843518.db2.gz ZBYVIQVPZPVSPQ-MRVPVSSYSA-N -1 3 245.775 2.887 20 0 BFADHM CO[C@@H]1CCCC[C@H]1[N-]c1nc(C(C)C)no1 ZINC000301457533 386845808 /nfs/dbraw/zinc/84/58/08/386845808.db2.gz NGUBBTNAKYFJNK-NXEZZACHSA-N -1 3 239.319 2.563 20 0 BFADHM CC(C)(CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293688017 386862079 /nfs/dbraw/zinc/86/20/79/386862079.db2.gz BUBSDGPEROYYNR-UHFFFAOYSA-N -1 3 247.338 2.812 20 0 BFADHM O=C(CC/C=C/c1ccccc1)[N-]OCC1CC1 ZINC000293696649 386862589 /nfs/dbraw/zinc/86/25/89/386862589.db2.gz CWEPZTJOQYNTCT-XBXARRHUSA-N -1 3 245.322 2.938 20 0 BFADHM CCc1ccc(C(=O)N(C)CC2CCC2)c([O-])c1 ZINC000191547770 386973102 /nfs/dbraw/zinc/97/31/02/386973102.db2.gz RHWPSDAXIVIKHE-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC3(C2)CCCC3)c1 ZINC000334899981 386975125 /nfs/dbraw/zinc/97/51/25/386975125.db2.gz DRNWYTQNRCUUBH-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM CCCC1(C(=O)Nc2ncccc2[O-])CCC1 ZINC000341892605 386994831 /nfs/dbraw/zinc/99/48/31/386994831.db2.gz UHAPYGVMHZQOFT-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2C=CCCC2)n1 ZINC000188625446 387071734 /nfs/dbraw/zinc/07/17/34/387071734.db2.gz UGDGVUCECILDTF-LLVKDONJSA-N -1 3 246.310 2.781 20 0 BFADHM [O-]c1ccc(F)c(CNC[C@@H]2CC23CC3)c1F ZINC000418097432 387107328 /nfs/dbraw/zinc/10/73/28/387107328.db2.gz NQACJLMDRDVJSQ-QMMMGPOBSA-N -1 3 239.265 2.560 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCC2=CCCC2)c1 ZINC000229000211 387136537 /nfs/dbraw/zinc/13/65/37/387136537.db2.gz NCRCYYYNUQYOML-UHFFFAOYSA-N -1 3 245.322 2.931 20 0 BFADHM CCCc1nc(C(=O)Nc2ccccc2[O-])co1 ZINC000352438175 387202772 /nfs/dbraw/zinc/20/27/72/387202772.db2.gz GWNYCMODVNBPKI-UHFFFAOYSA-N -1 3 246.266 2.585 20 0 BFADHM CCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000514957998 387313781 /nfs/dbraw/zinc/31/37/81/387313781.db2.gz ZJGLSTABMBTFAI-UHFFFAOYSA-N -1 3 235.283 2.724 20 0 BFADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000424763179 387356832 /nfs/dbraw/zinc/35/68/32/387356832.db2.gz PEELNOMPJKFUNH-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2CCCC2(C)C)n1 ZINC000361612180 387511366 /nfs/dbraw/zinc/51/13/66/387511366.db2.gz TZLAASNYQIQOLI-JTQLQIEISA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCCC(C)(C)C)c1 ZINC000031760880 387488882 /nfs/dbraw/zinc/48/88/82/387488882.db2.gz PTIYQBUXZAWGNM-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000124486752 387617715 /nfs/dbraw/zinc/61/77/15/387617715.db2.gz QRQAHSJWQHFKOI-NOZJJQNGSA-N -1 3 237.274 2.906 20 0 BFADHM CCc1cc(C(=O)N(CC)C2CC2)ccc1[O-] ZINC000362490006 387618951 /nfs/dbraw/zinc/61/89/51/387618951.db2.gz PYAJZSFNKVIBKN-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000124643858 387626064 /nfs/dbraw/zinc/62/60/64/387626064.db2.gz XGGQWSARKWVWMN-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM C[C@H](C1CCC1)N(C)C(=O)c1cccc([O-])c1 ZINC000325345085 387547385 /nfs/dbraw/zinc/54/73/85/387547385.db2.gz LHDVROGZYJDZJX-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000399514766 387551554 /nfs/dbraw/zinc/55/15/54/387551554.db2.gz APEUZVAMYYOHSQ-TUAOUCFPSA-N -1 3 247.338 2.817 20 0 BFADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H](C)[C@H]1C ZINC000399525607 387553695 /nfs/dbraw/zinc/55/36/95/387553695.db2.gz FAEIKNSVIZRQSR-VWYCJHECSA-N -1 3 233.311 2.509 20 0 BFADHM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(C)ccc1[O-] ZINC000399587449 387557413 /nfs/dbraw/zinc/55/74/13/387557413.db2.gz DSPSMHUEHAQBCD-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c([O-])c1 ZINC000399603184 387559454 /nfs/dbraw/zinc/55/94/54/387559454.db2.gz ZKRDGIKKWSAGIT-SRVKXCTJSA-N -1 3 247.338 2.817 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc([O-])c(C)c1 ZINC000399709957 387567798 /nfs/dbraw/zinc/56/77/98/387567798.db2.gz YGQYUKOQZABASH-GXFFZTMASA-N -1 3 247.338 2.961 20 0 BFADHM CC1=C[C@H](C)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000430876791 387657021 /nfs/dbraw/zinc/65/70/21/387657021.db2.gz SPDMVFLMVIBLMF-JTQLQIEISA-N -1 3 235.302 2.929 20 0 BFADHM CC(C)CCC[S@](=O)c1ccc([O-])cc1 ZINC000431194615 387686878 /nfs/dbraw/zinc/68/68/78/387686878.db2.gz UILQAWVUNMVVLH-HNNXBMFYSA-N -1 3 226.341 2.936 20 0 BFADHM Cc1cc(C(=O)NCC2(C3CC3)CC2)ccc1[O-] ZINC000226999658 387951647 /nfs/dbraw/zinc/95/16/47/387951647.db2.gz JLMMMUAWFGDBMC-UHFFFAOYSA-N -1 3 245.322 2.621 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C)c([O-])c1 ZINC000071209718 388079281 /nfs/dbraw/zinc/07/92/81/388079281.db2.gz OYXKITICHUDCCO-JQWIXIFHSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccoc1C(=O)Nc1ccc([O-])cc1F ZINC000085203862 388085507 /nfs/dbraw/zinc/08/55/07/388085507.db2.gz SCUQZPRPAGWBEC-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM CC[C@@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000233858116 388349212 /nfs/dbraw/zinc/34/92/12/388349212.db2.gz VOGHUSRTGGHEMD-SSDOTTSWSA-N -1 3 227.691 2.574 20 0 BFADHM [O-]c1ccc(-c2noc(-c3cncs3)n2)cc1 ZINC000236584498 388380032 /nfs/dbraw/zinc/38/00/32/388380032.db2.gz MCJZSTDZEZXWGQ-UHFFFAOYSA-N -1 3 245.263 2.566 20 0 BFADHM CCC1(C)CN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000293001786 388385767 /nfs/dbraw/zinc/38/57/67/388385767.db2.gz ZEXRTOOPDBBSIV-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H]3CCC[C@H]32)ccc1[O-] ZINC000334735254 388447625 /nfs/dbraw/zinc/44/76/25/388447625.db2.gz ITCYDWLTXJSJID-WCQYABFASA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C3CC3)C2)c1[O-] ZINC000335704495 388454228 /nfs/dbraw/zinc/45/42/28/388454228.db2.gz BGIQHIQNPSKILI-LBPRGKRZSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](C)C1CCC1 ZINC000649229036 388463439 /nfs/dbraw/zinc/46/34/39/388463439.db2.gz JWZVVNLGJGXRJT-VIFPVBQESA-N -1 3 249.358 2.638 20 0 BFADHM Cc1cc(C(=O)N2CCCC2(C)C)ccc1[O-] ZINC000226998096 177751181 /nfs/dbraw/zinc/75/11/81/177751181.db2.gz NTKSDTVNWNKXFT-UHFFFAOYSA-N -1 3 233.311 2.715 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@H]2C2CC2)c1[O-] ZINC000517294971 388546834 /nfs/dbraw/zinc/54/68/34/388546834.db2.gz KEBUFVUPJDECBJ-ZDUSSCGKSA-N -1 3 245.322 2.579 20 0 BFADHM Cc1ccoc1CNC(=O)c1cccc(C)c1[O-] ZINC000310800625 388488543 /nfs/dbraw/zinc/48/85/43/388488543.db2.gz XCNHWCUGWXXXSQ-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM CN(Cc1ccsc1C(=O)[O-])[C@H]1CC1(C)C ZINC000564336810 388501527 /nfs/dbraw/zinc/50/15/27/388501527.db2.gz IDQJVIFASADKLS-VIFPVBQESA-N -1 3 239.340 2.677 20 0 BFADHM CCOC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000328209042 388586716 /nfs/dbraw/zinc/58/67/16/388586716.db2.gz ICTXIZDQMLSLRH-SECBINFHSA-N -1 3 243.734 2.560 20 0 BFADHM C[C@@H]1C[C@@H](C(=O)Nc2ccccc2[O-])C[C@H](C)O1 ZINC000245713439 388600527 /nfs/dbraw/zinc/60/05/27/388600527.db2.gz COOUVULILIBTTG-JGPRNRPPSA-N -1 3 249.310 2.534 20 0 BFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000136990013 388554036 /nfs/dbraw/zinc/55/40/36/388554036.db2.gz NVGGIWZLWRTZRS-RNCFNFMXSA-N -1 3 237.274 2.906 20 0 BFADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000136990097 388554096 /nfs/dbraw/zinc/55/40/96/388554096.db2.gz NVGGIWZLWRTZRS-ZANVPECISA-N -1 3 237.274 2.906 20 0 BFADHM C/C=C/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000213987245 388567133 /nfs/dbraw/zinc/56/71/33/388567133.db2.gz PEDNGAHOUQAJDJ-VAIMCSMNSA-N -1 3 243.306 2.804 20 0 BFADHM CCN(CC(C)C)C(=O)c1ccccc1[O-] ZINC000037023437 388582709 /nfs/dbraw/zinc/58/27/09/388582709.db2.gz GLTSPNGNQXDZBN-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM CC(C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184969997 388583496 /nfs/dbraw/zinc/58/34/96/388583496.db2.gz JFWNABIVSWCHFN-UHFFFAOYSA-N -1 3 247.338 2.751 20 0 BFADHM [O-]c1ccc(F)c(CNCCCC2CC2)c1F ZINC000552137035 388672783 /nfs/dbraw/zinc/67/27/83/388672783.db2.gz MQJMQODPUOXKNW-UHFFFAOYSA-N -1 3 241.281 2.950 20 0 BFADHM CCc1cccc(C(=O)N2C[C@H](C)C[C@@H]2C)c1[O-] ZINC000552137919 388673297 /nfs/dbraw/zinc/67/32/97/388673297.db2.gz SUZCOJBGSAWRPG-MNOVXSKESA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(C(=O)N[C@@H](C)CC(C)C)c([O-])c1 ZINC000037265430 388625827 /nfs/dbraw/zinc/62/58/27/388625827.db2.gz RSGIUUMFLNLYGG-NSHDSACASA-N -1 3 235.327 2.865 20 0 BFADHM CCN(CC1CC1)C(=O)c1ccc([O-])c(C)c1 ZINC000227028605 388737705 /nfs/dbraw/zinc/73/77/05/388737705.db2.gz PSNIGIMTJNAOLH-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM O=C([O-])CCCCN1CCC[C@@H]1c1ccco1 ZINC000564218092 388757976 /nfs/dbraw/zinc/75/79/76/388757976.db2.gz OYCXPCGPNOPWFT-LLVKDONJSA-N -1 3 237.299 2.671 20 0 BFADHM COc1cccc(-c2nc([C@H]3C[C@@H]3C)no2)c1[O-] ZINC000088055465 388718535 /nfs/dbraw/zinc/71/85/35/388718535.db2.gz BWCGBXQWZAOIGU-CBAPKCEASA-N -1 3 246.266 2.574 20 0 BFADHM Cc1ccc(C(=O)NC2(C3CC3)CC2)c([O-])c1C ZINC000538784147 388724697 /nfs/dbraw/zinc/72/46/97/388724697.db2.gz CSASJMBVVKYBGX-UHFFFAOYSA-N -1 3 245.322 2.681 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1[O-] ZINC000226714175 388727698 /nfs/dbraw/zinc/72/76/98/388727698.db2.gz VARDHFCBXNEBPT-QWRGUYRKSA-N -1 3 247.338 2.819 20 0 BFADHM CCC1(CNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000226841180 388731749 /nfs/dbraw/zinc/73/17/49/388731749.db2.gz RBELBBOPIYIYNP-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000228854124 388776324 /nfs/dbraw/zinc/77/63/24/388776324.db2.gz QYVQOZNKBYMGMH-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000229427086 388789305 /nfs/dbraw/zinc/78/93/05/388789305.db2.gz UVZFJADSBZPJTF-IJLUTSLNSA-N -1 3 247.338 2.899 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000161722337 388837706 /nfs/dbraw/zinc/83/77/06/388837706.db2.gz DIRWSDYTXIEGDR-PHIMTYICSA-N -1 3 233.311 2.714 20 0 BFADHM CCc1cc(C(=O)NCCCC2CC2)ccc1[O-] ZINC000564887318 388896736 /nfs/dbraw/zinc/89/67/36/388896736.db2.gz MBHYBESVPNZINB-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM C[C@@H](NCc1sccc1Cl)[C@H](C)C(=O)[O-] ZINC000565104960 388914302 /nfs/dbraw/zinc/91/43/02/388914302.db2.gz WXAQBODWILGEIL-NKWVEPMBSA-N -1 3 247.747 2.600 20 0 BFADHM C[C@@H](c1ccco1)N(C)CCCCC(=O)[O-] ZINC000565957122 388982151 /nfs/dbraw/zinc/98/21/51/388982151.db2.gz MPMFPMIVESQQEV-JTQLQIEISA-N -1 3 225.288 2.527 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)CC2(C)C)ccc1[O-] ZINC000272704311 389033467 /nfs/dbraw/zinc/03/34/67/389033467.db2.gz WUDHLPDYJABMRH-SNVBAGLBSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)CC2(C)C)ccc1[O-] ZINC000272704310 389034115 /nfs/dbraw/zinc/03/41/15/389034115.db2.gz WUDHLPDYJABMRH-JTQLQIEISA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H]2C)c1 ZINC000162941095 133538428 /nfs/dbraw/zinc/53/84/28/133538428.db2.gz JCXGUEGUVHHFOS-MNOVXSKESA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1=CCCC1 ZINC000335969107 134029444 /nfs/dbraw/zinc/02/94/44/134029444.db2.gz RUUJATOUZFIUBH-UHFFFAOYSA-N -1 3 217.268 2.749 20 0 BFADHM CCCn1ccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352034440 134044935 /nfs/dbraw/zinc/04/49/35/134044935.db2.gz BSMYAUOAYZXJBT-SNAWJCMRSA-N -1 3 243.310 2.873 20 0 BFADHM CCCn1ccc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352034439 134044945 /nfs/dbraw/zinc/04/49/45/134044945.db2.gz BSMYAUOAYZXJBT-PLNGDYQASA-N -1 3 243.310 2.873 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@@H](C)C[C@@H]2C)c1 ZINC000336065347 134070357 /nfs/dbraw/zinc/07/03/57/134070357.db2.gz JXOPXHRWKUMGIN-UWVGGRQHSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@H]1C[C@@H]1C ZINC000336099324 134081335 /nfs/dbraw/zinc/08/13/35/134081335.db2.gz JYEIAMZNUGFOQY-VHSXEESVSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000336157641 134106475 /nfs/dbraw/zinc/10/64/75/134106475.db2.gz UQRCTPYYJKXAAU-GXFFZTMASA-N -1 3 247.338 2.961 20 0 BFADHM [O-]c1cc(F)cc(CN2CC[C@H]2C2CC2)c1 ZINC000336216185 134136768 /nfs/dbraw/zinc/13/67/68/134136768.db2.gz HQRQMQVAZVUBNE-ZDUSSCGKSA-N -1 3 221.275 2.516 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCCC2(C)C)c1 ZINC000179539229 134321511 /nfs/dbraw/zinc/32/15/11/134321511.db2.gz ZSGOXLVPIWNKIH-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CCc1ccoc1 ZINC000183029844 134350793 /nfs/dbraw/zinc/35/07/93/134350793.db2.gz ZOYGNCBQHBWCQK-UHFFFAOYSA-N -1 3 245.278 2.865 20 0 BFADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cn1 ZINC000184144046 134359195 /nfs/dbraw/zinc/35/91/95/134359195.db2.gz RLELOYUIYIETOR-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2(C)CCC2)c1 ZINC000226841388 134369775 /nfs/dbraw/zinc/36/97/75/134369775.db2.gz KSKNHJOJSKVELJ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1cc(C(=O)N2CCC(C)(C)CC2)ccc1[O-] ZINC000227025222 134373950 /nfs/dbraw/zinc/37/39/50/134373950.db2.gz JLUIQWQZUYAEKL-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(C(=O)N2CC3(C2)CCCC3)c1[O-] ZINC000334416371 135395368 /nfs/dbraw/zinc/39/53/68/135395368.db2.gz NWNGXYSPUOGMIN-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1noc(C)c1NC(=O)c1cc(C)ccc1[O-] ZINC000335311243 136029820 /nfs/dbraw/zinc/02/98/20/136029820.db2.gz CPZKNVYETVTNGF-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM Cc1cccc(C)c1CNCc1ncccc1[O-] ZINC000348092396 136035541 /nfs/dbraw/zinc/03/55/41/136035541.db2.gz OXZPOSCUIJMOGL-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335347911 136067420 /nfs/dbraw/zinc/06/74/20/136067420.db2.gz SCNSZYZNPIZOHY-NXEZZACHSA-N -1 3 237.274 2.762 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C)c([O-])c1 ZINC000050566648 322851814 /nfs/dbraw/zinc/85/18/14/322851814.db2.gz GQRCWMABEIZHRW-VXGBXAGGSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1cc(C(=O)N(C)C2CCCC2)ccc1[O-] ZINC000291554649 398095020 /nfs/dbraw/zinc/09/50/20/398095020.db2.gz XBJHXONNJNMBOG-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CC(C)C[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000069368983 398126419 /nfs/dbraw/zinc/12/64/19/398126419.db2.gz KPHPWRJQPLRRDF-JTQLQIEISA-N -1 3 236.315 2.798 20 0 BFADHM C[C@@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])cn1 ZINC000094762110 487559100 /nfs/dbraw/zinc/55/91/00/487559100.db2.gz TUGNRCJDVXVWEG-PHIMTYICSA-N -1 3 248.326 2.543 20 0 BFADHM C[C@H]1CCC[C@H](C)N1Cc1ccc(C(=O)[O-])cn1 ZINC000094762111 487558795 /nfs/dbraw/zinc/55/87/95/487558795.db2.gz TUGNRCJDVXVWEG-QWRGUYRKSA-N -1 3 248.326 2.543 20 0 BFADHM CCC[C@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000674357440 487563968 /nfs/dbraw/zinc/56/39/68/487563968.db2.gz PKQZPMKJJUWMNR-JTQLQIEISA-N -1 3 235.327 2.873 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc(F)c(F)c1F ZINC000296040826 167275800 /nfs/dbraw/zinc/27/58/00/167275800.db2.gz ALDSMTQXKMCZDJ-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc(F)c(F)c1F ZINC000296040826 167275804 /nfs/dbraw/zinc/27/58/04/167275804.db2.gz ALDSMTQXKMCZDJ-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H](C)c1ccccc1F ZINC000295707530 167277732 /nfs/dbraw/zinc/27/77/32/167277732.db2.gz OZKKDSBKCDOTLG-JTQLQIEISA-N -1 3 239.290 2.776 20 0 BFADHM CC(C)CC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000181000699 166777493 /nfs/dbraw/zinc/77/74/93/166777493.db2.gz RCSDBEXIDBHQLI-UHFFFAOYSA-N -1 3 236.315 2.798 20 0 BFADHM CC(C)ON=C([O-])Nc1cccc(Cl)c1 ZINC000294256861 167276175 /nfs/dbraw/zinc/27/61/75/167276175.db2.gz XBVVVEBZQREPBA-UHFFFAOYSA-N -1 3 228.679 2.802 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cccc(Cl)c1 ZINC000294256861 167276176 /nfs/dbraw/zinc/27/61/76/167276176.db2.gz XBVVVEBZQREPBA-UHFFFAOYSA-N -1 3 228.679 2.802 20 0 BFADHM CC(C)O[N-]C(=O)Cc1cccc2ccccc21 ZINC000127430779 167276822 /nfs/dbraw/zinc/27/68/22/167276822.db2.gz DNNWEHVMNNEGBS-UHFFFAOYSA-N -1 3 243.306 2.839 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000295778422 167276866 /nfs/dbraw/zinc/27/68/66/167276866.db2.gz XSMQITIHPWBWCL-NSHDSACASA-N -1 3 221.300 2.636 20 0 BFADHM CC(C)ON=C([O-])Nc1ncsc1C(C)C ZINC000296984096 167277127 /nfs/dbraw/zinc/27/71/27/167277127.db2.gz JJFKOHUIAZSNHJ-UHFFFAOYSA-N -1 3 243.332 2.728 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ncsc1C(C)C ZINC000296984096 167277130 /nfs/dbraw/zinc/27/71/30/167277130.db2.gz JJFKOHUIAZSNHJ-UHFFFAOYSA-N -1 3 243.332 2.728 20 0 BFADHM CC(C)Oc1cc([O-])cc(Br)c1 ZINC000042750100 167286370 /nfs/dbraw/zinc/28/63/70/167286370.db2.gz QRSRHSIWJODVED-UHFFFAOYSA-N -1 3 231.089 2.942 20 0 BFADHM CC(C)[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000036788094 167366108 /nfs/dbraw/zinc/36/61/08/167366108.db2.gz WQFFFVIMJLFBDU-SNVBAGLBSA-N -1 3 221.300 2.509 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000651704977 411137477 /nfs/dbraw/zinc/13/74/77/411137477.db2.gz BOSBBTCFAZJSOS-QWRGUYRKSA-N -1 3 246.310 2.552 20 0 BFADHM CC[C@H](C(=O)[O-])N(C)c1ccnc2ccccc21 ZINC000044619000 411138585 /nfs/dbraw/zinc/13/85/85/411138585.db2.gz ZWKWQBWPYUIBQT-GFCCVEGCSA-N -1 3 244.294 2.534 20 0 BFADHM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000652758760 411153023 /nfs/dbraw/zinc/15/30/23/411153023.db2.gz IJFVXKQUNBGIQY-WCQYABFASA-N -1 3 247.338 2.947 20 0 BFADHM CC1(C)CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000070259308 411297146 /nfs/dbraw/zinc/29/71/46/411297146.db2.gz STMFJYSKTRZZAQ-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403669415 411352572 /nfs/dbraw/zinc/35/25/72/411352572.db2.gz UTQJYIDNQZPCBX-SDDRHHMPSA-N -1 3 245.322 2.619 20 0 BFADHM CC1(CC(=O)[N-]OCc2cccnc2)CCCC1 ZINC000290137716 168016341 /nfs/dbraw/zinc/01/63/41/168016341.db2.gz NPUIZTDRJXBXGX-UHFFFAOYSA-N -1 3 248.326 2.600 20 0 BFADHM CC1CCC(CC(=O)Nc2ncccc2[O-])CC1 ZINC000360500366 168152473 /nfs/dbraw/zinc/15/24/73/168152473.db2.gz QIRKRYDCSPNVQG-UHFFFAOYSA-N -1 3 248.326 2.942 20 0 BFADHM CCOC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000285094023 170318185 /nfs/dbraw/zinc/31/81/85/170318185.db2.gz NHRULPKHRJCKTA-UHFFFAOYSA-N -1 3 249.310 2.680 20 0 BFADHM CC12CC(C1)CN2Cc1ccc(C(=O)[O-])cc1F ZINC000663316126 411623432 /nfs/dbraw/zinc/62/34/32/411623432.db2.gz SOUMBLPPYFTHDO-UHFFFAOYSA-N -1 3 249.285 2.508 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000131537385 171007431 /nfs/dbraw/zinc/00/74/31/171007431.db2.gz MOPUQFCTASAMST-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000187424018 171156506 /nfs/dbraw/zinc/15/65/06/171156506.db2.gz KUQMYVKYGDMQOG-WCQYABFASA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H](C)CCC(=O)[N-]OC/C=C/Cl ZINC000291830512 171267681 /nfs/dbraw/zinc/26/76/81/171267681.db2.gz MVUGJMUXCORTBG-IYNCYZAOSA-N -1 3 219.712 2.613 20 0 BFADHM CC[C@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC000037173921 171271580 /nfs/dbraw/zinc/27/15/80/171271580.db2.gz KDADJFUEVOWAFM-JTQLQIEISA-N -1 3 221.300 2.510 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(C)cc1 ZINC000153457598 171288648 /nfs/dbraw/zinc/28/86/48/171288648.db2.gz BJOWRMPVIMEGMU-NSHDSACASA-N -1 3 235.327 2.631 20 0 BFADHM CCc1[n-]cnc(=NOC[C@@H](C)CC)c1F ZINC000291823770 172033386 /nfs/dbraw/zinc/03/33/86/172033386.db2.gz KWWGWURNDDCYQK-QMMMGPOBSA-N -1 3 227.283 2.568 20 0 BFADHM CCc1noc(-c2cc(-c3ccc(C)o3)[n-]n2)n1 ZINC000264634335 172070904 /nfs/dbraw/zinc/07/09/04/172070904.db2.gz OZXWMWRQMUQICZ-UHFFFAOYSA-N -1 3 244.254 2.591 20 0 BFADHM CCc1noc(-c2cc(-c3ccc(C)o3)n[n-]2)n1 ZINC000264634335 172070906 /nfs/dbraw/zinc/07/09/06/172070906.db2.gz OZXWMWRQMUQICZ-UHFFFAOYSA-N -1 3 244.254 2.591 20 0 BFADHM CCn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000038008264 172188267 /nfs/dbraw/zinc/18/82/67/172188267.db2.gz XJWBPTREUHOPJD-UHFFFAOYSA-N -1 3 228.255 2.788 20 0 BFADHM CC(=O)c1cccc(NC(=O)CCC(C)C)c1[O-] ZINC000556893936 322930468 /nfs/dbraw/zinc/93/04/68/322930468.db2.gz AVPBLVIKLUJGLP-UHFFFAOYSA-N -1 3 249.310 2.970 20 0 BFADHM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCCCCC1 ZINC000011889047 176013090 /nfs/dbraw/zinc/01/30/90/176013090.db2.gz UQQWIJAIDQIKFE-JTQLQIEISA-N -1 3 237.299 2.915 20 0 BFADHM C[C@@H]1CC=CC[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000284531320 176060417 /nfs/dbraw/zinc/06/04/17/176060417.db2.gz CDUOZEHFXYTBDB-TZMCWYRMSA-N -1 3 245.322 2.837 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000036926584 176116359 /nfs/dbraw/zinc/11/63/59/176116359.db2.gz JZVZOLGYLSSEQJ-NXEZZACHSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@@H]1CCC[C@@H](C)N1Cc1ccc(C(=O)[O-])o1 ZINC000011801594 176116620 /nfs/dbraw/zinc/11/66/20/176116620.db2.gz HIVUXVUQRTXUJZ-NXEZZACHSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H](C)C1 ZINC000119394367 176163102 /nfs/dbraw/zinc/16/31/02/176163102.db2.gz TYHDRDIZXLZCOO-NEPJUHHUSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@@H]1C ZINC000166990690 176163129 /nfs/dbraw/zinc/16/31/29/176163129.db2.gz QVROHXWHPNVJQK-MNOVXSKESA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000295249408 176174884 /nfs/dbraw/zinc/17/48/84/176174884.db2.gz FUUBSZLQVYAUFH-MRVPVSSYSA-N -1 3 227.254 2.512 20 0 BFADHM C[C@H]1CC[C@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000129960079 176212216 /nfs/dbraw/zinc/21/22/16/176212216.db2.gz FRMNMBVIVYDOPB-KLPPZKSPSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000291762013 176222924 /nfs/dbraw/zinc/22/29/24/176222924.db2.gz HXTCIJUTKBZSAR-VYXGOUPGSA-N -1 3 231.723 2.613 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccncc2[O-])C1 ZINC000133685498 176223025 /nfs/dbraw/zinc/22/30/25/176223025.db2.gz RSAHLLCQJYBVLS-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@@H]1C ZINC000294016845 176259825 /nfs/dbraw/zinc/25/98/25/176259825.db2.gz IXGPXPQOLYPNQW-HTQZYQBOSA-N -1 3 239.702 2.526 20 0 BFADHM C[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC000050566608 177095593 /nfs/dbraw/zinc/09/55/93/177095593.db2.gz XEMFRZUNONOGEE-QWRGUYRKSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CCC[C@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000036926582 177117425 /nfs/dbraw/zinc/11/74/25/177117425.db2.gz JZVZOLGYLSSEQJ-AOOOYVTPSA-N -1 3 237.299 2.741 20 0 BFADHM C[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000037251114 177122387 /nfs/dbraw/zinc/12/23/87/177122387.db2.gz LVLLKKINOFSAGV-WDEREUQCSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccccc1[O-] ZINC000088707490 177185160 /nfs/dbraw/zinc/18/51/60/177185160.db2.gz UMUOLXNHRDMPGX-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CC[C@H](CCC(=O)Nc2ccccc2[O-])O1 ZINC000175083044 177200574 /nfs/dbraw/zinc/20/05/74/177200574.db2.gz CDWGZGNRLBXISK-WDEREUQCSA-N -1 3 249.310 2.678 20 0 BFADHM C[C@H]1CC[C@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000128656279 177200836 /nfs/dbraw/zinc/20/08/36/177200836.db2.gz NMRJLLVDOQZARR-UWVGGRQHSA-N -1 3 234.299 2.552 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1(CF)CCC1 ZINC000335487891 487638154 /nfs/dbraw/zinc/63/81/54/487638154.db2.gz IAQSWEBZFLKWRS-UHFFFAOYSA-N -1 3 241.237 2.610 20 0 BFADHM C[C@H]1C[C@H]1CNCc1cccc([O-])c1Cl ZINC000294106500 177382025 /nfs/dbraw/zinc/38/20/25/177382025.db2.gz MSJWURNBFUHZQB-WPRPVWTQSA-N -1 3 225.719 2.791 20 0 BFADHM O=C(/C=C\c1cncs1)Nc1ccccc1[O-] ZINC000493135164 226135822 /nfs/dbraw/zinc/13/58/22/226135822.db2.gz WKCHLSDJFXUYNT-WAYWQWQTSA-N -1 3 246.291 2.501 20 0 BFADHM C[C@H]1CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000082501600 487649439 /nfs/dbraw/zinc/64/94/39/487649439.db2.gz XKQHJOSOJXITER-VIFPVBQESA-N -1 3 239.340 2.678 20 0 BFADHM CC(C)CCN(C)Cc1ccsc1C(=O)[O-] ZINC000082501708 487649462 /nfs/dbraw/zinc/64/94/62/487649462.db2.gz XPXBXUAZWGDOAR-UHFFFAOYSA-N -1 3 241.356 2.924 20 0 BFADHM C[C@@H]1CCCN(Cc2ccsc2C(=O)[O-])C1 ZINC000082501598 487649662 /nfs/dbraw/zinc/64/96/62/487649662.db2.gz XKQHJOSOJXITER-SECBINFHSA-N -1 3 239.340 2.678 20 0 BFADHM COc1ccc(NC(=O)[C@@H](C)C2CCC2)c([O-])c1 ZINC000457748097 487707015 /nfs/dbraw/zinc/70/70/15/487707015.db2.gz YKYJHVYSGHVTDJ-VIFPVBQESA-N -1 3 249.310 2.776 20 0 BFADHM C[C@@H]1CC[C@H](C)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000088705787 487746124 /nfs/dbraw/zinc/74/61/24/487746124.db2.gz UFSBKZYVBMTRPJ-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM O=C(CCCC(F)(F)F)[N-]OC1CCCC1 ZINC000775277013 585674897 /nfs/dbraw/zinc/67/48/97/585674897.db2.gz XSMIKNSWJOGJLW-UHFFFAOYSA-N -1 3 239.237 2.709 20 0 BFADHM CC/C(C)=C(\C)C(=O)[N-]OCCC(F)(F)F ZINC000779328467 585751215 /nfs/dbraw/zinc/75/12/15/585751215.db2.gz PJHHEGCOWYEMLB-BQYQJAHWSA-N -1 3 239.237 2.733 20 0 BFADHM CC(C)=C(C)CC(=O)[N-]OC/C=C/Cl ZINC000823046189 587199791 /nfs/dbraw/zinc/19/97/91/587199791.db2.gz HHUOCSBOCGJXEZ-SNAWJCMRSA-N -1 3 217.696 2.533 20 0 BFADHM CCc1cccc(C(=O)N2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000530986266 322947386 /nfs/dbraw/zinc/94/73/86/322947386.db2.gz CZSVAYWRFQPNGZ-PHIMTYICSA-N -1 3 247.338 2.683 20 0 BFADHM CCCO[N-]C(=O)CCc1ccc(Cl)s1 ZINC000844081805 588161491 /nfs/dbraw/zinc/16/14/91/588161491.db2.gz BESUIAJJALRXTF-UHFFFAOYSA-N -1 3 247.747 2.792 20 0 BFADHM CCOC([O-])=NOCCc1ccc(Cl)cc1 ZINC000496219387 529084366 /nfs/dbraw/zinc/08/43/66/529084366.db2.gz REMQFGHAUUNJLD-UHFFFAOYSA-N -1 3 243.690 2.560 20 0 BFADHM CCOC(=O)[N-]OCCc1ccc(Cl)cc1 ZINC000496219387 529084372 /nfs/dbraw/zinc/08/43/72/529084372.db2.gz REMQFGHAUUNJLD-UHFFFAOYSA-N -1 3 243.690 2.560 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000048517713 487922075 /nfs/dbraw/zinc/92/20/75/487922075.db2.gz OQKXPWFHDUNAEE-SNVBAGLBSA-N -1 3 235.327 2.927 20 0 BFADHM CCc1cccc(C(=O)N2CCC(C)CC2)c1[O-] ZINC000531119083 323003896 /nfs/dbraw/zinc/00/38/96/323003896.db2.gz HABBZFWPDNNJBD-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCc1cccc(C(=O)NCC(C)(C)C)c1[O-] ZINC000531194075 323085096 /nfs/dbraw/zinc/08/50/96/323085096.db2.gz WXKGPKYAZJPWDJ-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CC(C)N(Cc1cc(C(=O)[O-])co1)C1CCC1 ZINC000563282510 323108234 /nfs/dbraw/zinc/10/82/34/323108234.db2.gz HZAXCFCBQLWKHX-UHFFFAOYSA-N -1 3 237.299 2.741 20 0 BFADHM CCc1cccc(C(=O)N[C@H]2C=CCCC2)c1[O-] ZINC000531568056 323110082 /nfs/dbraw/zinc/11/00/82/323110082.db2.gz UNYLGJJPZPKLAM-LBPRGKRZSA-N -1 3 245.322 2.793 20 0 BFADHM Cc1oc([C@@H](C)N2CC[C@H](C)C2)cc1C(=O)[O-] ZINC000571291905 323140471 /nfs/dbraw/zinc/14/04/71/323140471.db2.gz WTQOCPQWXGSJFO-DTWKUNHWSA-N -1 3 237.299 2.689 20 0 BFADHM Cc1oc(CN(C)[C@H]2CC2(C)C)cc1C(=O)[O-] ZINC000571337717 323141817 /nfs/dbraw/zinc/14/18/17/323141817.db2.gz RQYWZCHGCCGYTG-NSHDSACASA-N -1 3 237.299 2.517 20 0 BFADHM CCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000048384916 323153242 /nfs/dbraw/zinc/15/32/42/323153242.db2.gz XVLNZCLTHAZYJG-UHFFFAOYSA-N -1 3 221.300 2.539 20 0 BFADHM [O-]c1ccccc1-c1nc(-c2ccco2)no1 ZINC000111688260 323162589 /nfs/dbraw/zinc/16/25/89/323162589.db2.gz LCSSAYNQVDLJHC-UHFFFAOYSA-N -1 3 228.207 2.702 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000399292806 323203167 /nfs/dbraw/zinc/20/31/67/323203167.db2.gz IHMVDDTZZRGMBU-HNNXBMFYSA-N -1 3 247.338 2.963 20 0 BFADHM CC/C=C\CCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165919 323204770 /nfs/dbraw/zinc/20/47/70/323204770.db2.gz KCWDQEWFZVGRLB-SCOBNMCVSA-N -1 3 249.310 2.620 20 0 BFADHM CN(C[C@H]1CC=CCC1)c1ccncc1C(=O)[O-] ZINC000402667728 323329947 /nfs/dbraw/zinc/32/99/47/323329947.db2.gz QVZZOQXYPVQYPG-NSHDSACASA-N -1 3 246.310 2.572 20 0 BFADHM CC[C@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000399509513 323395863 /nfs/dbraw/zinc/39/58/63/323395863.db2.gz GDHBDEAYMRIJPW-ONGXEEELSA-N -1 3 237.299 2.598 20 0 BFADHM CC[C@@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000399509510 323395937 /nfs/dbraw/zinc/39/59/37/323395937.db2.gz GDHBDEAYMRIJPW-GXSJLCMTSA-N -1 3 237.299 2.598 20 0 BFADHM CCc1cccc(C(=O)N(CC)C(C)C)c1[O-] ZINC000537639370 324093939 /nfs/dbraw/zinc/09/39/39/324093939.db2.gz DNWNXKKLUMIHFO-UHFFFAOYSA-N -1 3 235.327 2.825 20 0 BFADHM CCc1cccc(C(=O)N2CCCCCO2)c1[O-] ZINC000530418020 324594934 /nfs/dbraw/zinc/59/49/34/324594934.db2.gz ULDQWBMHUPXBDW-UHFFFAOYSA-N -1 3 249.310 2.512 20 0 BFADHM CCc1cccc(C(=O)N(C)C2CCCC2)c1[O-] ZINC000539842229 324870103 /nfs/dbraw/zinc/87/01/03/324870103.db2.gz GVFOFPSGLMCRHB-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM Cc1ccc(C(=O)N2CCC2(C)C)c([O-])c1C ZINC000539857881 324871610 /nfs/dbraw/zinc/87/16/10/324871610.db2.gz BCGWXKHVFODFQN-UHFFFAOYSA-N -1 3 233.311 2.634 20 0 BFADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)o1 ZINC000129435066 324948786 /nfs/dbraw/zinc/94/87/86/324948786.db2.gz CSTLMWGJUMXRPD-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C)c1[O-] ZINC000071209716 325061193 /nfs/dbraw/zinc/06/11/93/325061193.db2.gz MWEWCZMNGJUVNS-SKDRFNHKSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C(C)C)C2)c1 ZINC000134969271 325385400 /nfs/dbraw/zinc/38/54/00/325385400.db2.gz DFZFQMYGXPJOKU-LBPRGKRZSA-N -1 3 247.338 2.819 20 0 BFADHM CC1(C)CC(CNC(=O)c2cccc([O-])c2)C1 ZINC000547731445 325389726 /nfs/dbraw/zinc/38/97/26/325389726.db2.gz QAGVUMUIRCSTMD-UHFFFAOYSA-N -1 3 233.311 2.558 20 0 BFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000136989962 325474669 /nfs/dbraw/zinc/47/46/69/325474669.db2.gz NVGGIWZLWRTZRS-NOZJJQNGSA-N -1 3 237.274 2.906 20 0 BFADHM CC1(C)CC(CNC(=O)c2ccccc2[O-])C1 ZINC000548712854 325475089 /nfs/dbraw/zinc/47/50/89/325475089.db2.gz DETZQCJODARTKK-UHFFFAOYSA-N -1 3 233.311 2.558 20 0 BFADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153664598 326105996 /nfs/dbraw/zinc/10/59/96/326105996.db2.gz ZLOYJTCBJSGLJI-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM CSc1ccc([O-])c(C(=O)N(C)C(C)C)c1 ZINC000666039097 487994320 /nfs/dbraw/zinc/99/43/20/487994320.db2.gz MXCSTVQIUDIULI-UHFFFAOYSA-N -1 3 239.340 2.595 20 0 BFADHM C=C/C(C)=C\CC(=O)Nc1ccccc1[O-] ZINC000682693104 488019835 /nfs/dbraw/zinc/01/98/35/488019835.db2.gz VWJBXKFIDSQAAU-NTMALXAHSA-N -1 3 217.268 2.853 20 0 BFADHM CCc1cccc(C(=O)N[C@@H](C)C2CCC2)c1[O-] ZINC000677412685 488030781 /nfs/dbraw/zinc/03/07/81/488030781.db2.gz PUXIXQSSFGSRRM-JTQLQIEISA-N -1 3 247.338 2.873 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)C2CCC2)c([O-])c1C ZINC000677412844 488031577 /nfs/dbraw/zinc/03/15/77/488031577.db2.gz RQZZKHXBQAUQFF-LLVKDONJSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)c(C)[nH]1 ZINC000679920327 487488281 /nfs/dbraw/zinc/48/82/81/487488281.db2.gz QPKUFEQRGSMMML-UHFFFAOYSA-N -1 3 248.257 2.729 20 0 BFADHM [O-]c1coc2cc(OC3CCCC3)ccc12 ZINC000062805405 487502648 /nfs/dbraw/zinc/50/26/48/487502648.db2.gz HDAOJDUXENPMBO-UHFFFAOYSA-N -1 3 218.252 2.583 20 0 BFADHM [O-]c1cccc2ccc(/C=C/c3cn[nH]c3)nc12 ZINC000676866538 487937696 /nfs/dbraw/zinc/93/76/96/487937696.db2.gz CLPGXGKBBBKSSV-GQCTYLIASA-N -1 3 237.262 2.834 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC12CCC2 ZINC000679320874 488335521 /nfs/dbraw/zinc/33/55/21/488335521.db2.gz UKTGFVBZUFTAMC-SNVBAGLBSA-N -1 3 231.295 2.829 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C(C)C)C2CC2)c1 ZINC000354605651 491064078 /nfs/dbraw/zinc/06/40/78/491064078.db2.gz VMGJVMHDCUALCO-UHFFFAOYSA-N -1 3 247.338 2.968 20 0 BFADHM CCO/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000493457376 528498510 /nfs/dbraw/zinc/49/85/10/528498510.db2.gz FMWMVDTXPFJLSS-AATRIKPKSA-N -1 3 241.674 2.534 20 0 BFADHM CCCO[N-]C(=O)/C=C/Sc1ccccc1 ZINC000493165700 528599835 /nfs/dbraw/zinc/59/98/35/528599835.db2.gz YBLHKFIYDBHLHT-CSKARUKUSA-N -1 3 237.324 2.750 20 0 BFADHM CCCCn1c(=O)[n-]nc1SCC[C@H](C)F ZINC000505449053 529069038 /nfs/dbraw/zinc/06/90/38/529069038.db2.gz JIQGTNYAMAUJPL-QMMMGPOBSA-N -1 3 247.339 2.624 20 0 BFADHM COc1ncccc1NCc1cc([O-])cc(F)c1 ZINC000184137912 536904371 /nfs/dbraw/zinc/90/43/71/536904371.db2.gz YZPZWFYNHXLQER-UHFFFAOYSA-N -1 3 248.257 2.547 20 0 BFADHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(C)C)cc1 ZINC000853661567 583060541 /nfs/dbraw/zinc/06/05/41/583060541.db2.gz PAMSYHOJHNCETB-LBPRGKRZSA-N -1 3 235.327 2.630 20 0 BFADHM C[C@H]1C[C@H](C)N1Cc1ccc([O-])c(F)c1 ZINC000894141685 583317279 /nfs/dbraw/zinc/31/72/79/583317279.db2.gz YPRLBSCCDXTVGX-IUCAKERBSA-N -1 3 209.264 2.514 20 0 BFADHM Cc1cc(C)nc(NC([O-])=NOCC2CCC2)c1 ZINC000853871254 588766693 /nfs/dbraw/zinc/76/66/93/588766693.db2.gz WZMWNWCSBBXSAM-UHFFFAOYSA-N -1 3 249.314 2.552 20 0 BFADHM Cc1cc(C)nc(NC(=O)[N-]OCC2CCC2)c1 ZINC000853871254 588766694 /nfs/dbraw/zinc/76/66/94/588766694.db2.gz WZMWNWCSBBXSAM-UHFFFAOYSA-N -1 3 249.314 2.552 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)[N-]Oc2ccccc2)C1 ZINC000854535928 588791224 /nfs/dbraw/zinc/79/12/24/588791224.db2.gz AXYBYQPGWUYLLB-NEPJUHHUSA-N -1 3 233.311 2.923 20 0 BFADHM O=C(CC1CC(F)(F)C1)[N-]Oc1ccccc1 ZINC000854537149 588791828 /nfs/dbraw/zinc/79/18/28/588791828.db2.gz MTRUKCCXRKRAIG-UHFFFAOYSA-N -1 3 241.237 2.532 20 0 BFADHM CC1=CC[C@](C)(C(=O)[N-]OCCC2CC2)CC1 ZINC000854640988 588798938 /nfs/dbraw/zinc/79/89/38/588798938.db2.gz YABKQAYISAJGGM-AWEZNQCLSA-N -1 3 237.343 2.971 20 0 BFADHM CC(C)O[N-]C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000854753697 588805642 /nfs/dbraw/zinc/80/56/42/588805642.db2.gz FQWHSOPHXUFYMC-GHMZBOCLSA-N -1 3 225.332 2.659 20 0 BFADHM CCC(C)(C)CC(=O)[N-]OC/C=C\Cl ZINC000812401224 582514078 /nfs/dbraw/zinc/51/40/78/582514078.db2.gz IACIEQXXSXJMKT-WAYWQWQTSA-N -1 3 219.712 2.613 20 0 BFADHM CCON(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC000844078167 582568267 /nfs/dbraw/zinc/56/82/67/582568267.db2.gz RMUJLHXWUFXWIP-UHFFFAOYSA-N -1 3 237.299 2.503 20 0 BFADHM CCCO[N-]C(=O)C[C@@H](C)c1cccc(F)c1 ZINC000844086002 582569184 /nfs/dbraw/zinc/56/91/84/582569184.db2.gz IDAOMBGZIXTSIE-SNVBAGLBSA-N -1 3 239.290 2.777 20 0 BFADHM CC(C)[C@H]([N-]C(=O)C(F)F)c1ccccc1F ZINC000855531991 588838826 /nfs/dbraw/zinc/83/88/26/588838826.db2.gz URVGUJDFGYKNHJ-JTQLQIEISA-N -1 3 245.244 2.904 20 0 BFADHM O=c1cc(N2CCC[C@@H]2c2cccs2)nc[n-]1 ZINC000891513759 582694856 /nfs/dbraw/zinc/69/48/56/582694856.db2.gz OFJLTYOGOFXEBF-SECBINFHSA-N -1 3 247.323 2.585 20 0 BFADHM Cc1ccc2c(c1)CC[C@H]2Nc1cc(=O)[n-]cn1 ZINC000891975521 582750462 /nfs/dbraw/zinc/75/04/62/582750462.db2.gz GIDYSJYYMWJVFG-GFCCVEGCSA-N -1 3 241.294 2.590 20 0 BFADHM Cc1ccc2c(c1)CC[C@@H]2Nc1cc(=O)[n-]cn1 ZINC000891975524 582750516 /nfs/dbraw/zinc/75/05/16/582750516.db2.gz GIDYSJYYMWJVFG-LBPRGKRZSA-N -1 3 241.294 2.590 20 0 BFADHM CC1=CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000892069384 582783937 /nfs/dbraw/zinc/78/39/37/582783937.db2.gz JGWKGXQASWMQGU-UHFFFAOYSA-N -1 3 221.275 2.683 20 0 BFADHM Cc1ccc2c(c1)[C@@H](Nc1cc(=O)[n-]cn1)CC2 ZINC000892401979 582876907 /nfs/dbraw/zinc/87/69/07/582876907.db2.gz LMBCHXIBSRNDOX-LBPRGKRZSA-N -1 3 241.294 2.590 20 0 BFADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCC1CCC1 ZINC000856351786 588870251 /nfs/dbraw/zinc/87/02/51/588870251.db2.gz NTYYFKHCJIPNKQ-GWCFXTLKSA-N -1 3 225.332 2.661 20 0 BFADHM CCCC(C)(C)C(=O)[N-]OCC1CCC1 ZINC000856342657 588868138 /nfs/dbraw/zinc/86/81/38/588868138.db2.gz WKNPOPWPIOLAPU-UHFFFAOYSA-N -1 3 213.321 2.661 20 0 BFADHM C[C@]1(C(=O)[N-]OCC2CCC2)CC=CCC1 ZINC000856344408 588868295 /nfs/dbraw/zinc/86/82/95/588868295.db2.gz NKPLBZNIWCHSTC-ZDUSSCGKSA-N -1 3 223.316 2.581 20 0 BFADHM CC(C)CC(C)(C)C(=O)[N-]OCC1CCC1 ZINC000856348121 588868907 /nfs/dbraw/zinc/86/89/07/588868907.db2.gz PZTBUVCBZZZAOR-UHFFFAOYSA-N -1 3 227.348 2.907 20 0 BFADHM CC(C)C[C@@H](C)CC(=O)[N-]OCC1CCC1 ZINC000856347006 588868959 /nfs/dbraw/zinc/86/89/59/588868959.db2.gz CINHRAPVXWTUFC-LLVKDONJSA-N -1 3 227.348 2.907 20 0 BFADHM CC(=O)[N-]OCCCCc1cccc(Cl)c1 ZINC000857243702 588900984 /nfs/dbraw/zinc/90/09/84/588900984.db2.gz UWXDYDMJEKNNOZ-UHFFFAOYSA-N -1 3 241.718 2.730 20 0 BFADHM CC(C)(CNc1cc(=O)[n-]cn1)CC(F)(F)F ZINC000894657953 583501279 /nfs/dbraw/zinc/50/12/79/583501279.db2.gz CDJGSLFPEHURLF-UHFFFAOYSA-N -1 3 249.236 2.573 20 0 BFADHM [O-]c1ccc(CN2CC(C(F)(F)F)C2)cc1F ZINC000894713083 583511528 /nfs/dbraw/zinc/51/15/28/583511528.db2.gz USVRXWVNMBWNTI-UHFFFAOYSA-N -1 3 249.207 2.525 20 0 BFADHM C[C@@H](N[C@@H](C)C(F)F)c1cccc([O-])c1F ZINC000883400957 583795363 /nfs/dbraw/zinc/79/53/63/583795363.db2.gz YVLKXMGILWMCLH-RQJHMYQMSA-N -1 3 233.233 2.836 20 0 BFADHM O=C(OCC1CC1)c1cc2ccsc2[n-]1 ZINC000728764616 583906961 /nfs/dbraw/zinc/90/69/61/583906961.db2.gz OOTLXSJPBYSJDJ-UHFFFAOYSA-N -1 3 221.281 2.796 20 0 BFADHM CCCCOC(=O)c1ccc([O-])cc1C ZINC000144596652 583928296 /nfs/dbraw/zinc/92/82/96/583928296.db2.gz XSSUIFIRYSIQSL-UHFFFAOYSA-N -1 3 208.257 2.658 20 0 BFADHM O=C(/C=C\c1ccccc1)[N-]Oc1ccccc1 ZINC000145608473 583932912 /nfs/dbraw/zinc/93/29/12/583932912.db2.gz PQSJYUXORMNQJF-QXMHVHEDSA-N -1 3 239.274 2.810 20 0 BFADHM O=C(OCC(F)F)c1cc2ccsc2[n-]1 ZINC000729075828 583951442 /nfs/dbraw/zinc/95/14/42/583951442.db2.gz VAKKAFQFEKKMGE-UHFFFAOYSA-N -1 3 231.223 2.651 20 0 BFADHM O=C([N-]OC1CCCCC1)C1(C2CC2)CC1 ZINC000897454213 583987680 /nfs/dbraw/zinc/98/76/80/583987680.db2.gz BBJGZGINUCAYII-UHFFFAOYSA-N -1 3 223.316 2.557 20 0 BFADHM C/C=C(\CC)C(=O)[N-]Oc1ccc(F)cc1 ZINC000898575860 584143539 /nfs/dbraw/zinc/14/35/39/584143539.db2.gz YVOVDVRGCDZRJI-YCRREMRBSA-N -1 3 223.247 2.592 20 0 BFADHM C/C(=C(\F)C(=O)Nc1ccccc1[O-])C1CC1 ZINC000900310616 584293712 /nfs/dbraw/zinc/29/37/12/584293712.db2.gz RWJLEACXAGBTEI-XYOKQWHBSA-N -1 3 235.258 2.984 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1(C2CC2)CC1 ZINC000901244549 584407347 /nfs/dbraw/zinc/40/73/47/584407347.db2.gz SVNYTIICNIOBPJ-UHFFFAOYSA-N -1 3 235.258 2.660 20 0 BFADHM O=C([O-])c1ccc(CN[C@@H]2CCCC23CCC3)o1 ZINC000901651575 584476078 /nfs/dbraw/zinc/47/60/78/584476078.db2.gz QOLAOIBPIOLZQG-GFCCVEGCSA-N -1 3 249.310 2.790 20 0 BFADHM CC(C)C[C@@H](C)CNCc1ccc(C(=O)[O-])o1 ZINC000901659661 584476424 /nfs/dbraw/zinc/47/64/24/584476424.db2.gz CZZOGCGHVIHWCT-SNVBAGLBSA-N -1 3 239.315 2.750 20 0 BFADHM CCC[C@@H](C)CNCc1ccc(C(=O)[O-])o1 ZINC000901665229 584477055 /nfs/dbraw/zinc/47/70/55/584477055.db2.gz ZACBPTKDDCBVRK-SECBINFHSA-N -1 3 225.288 2.504 20 0 BFADHM CC(C)(C)CNCc1ccc(C(=O)[O-])cc1F ZINC000901755814 584490431 /nfs/dbraw/zinc/49/04/31/584490431.db2.gz QLFAHHNWVSQMGM-UHFFFAOYSA-N -1 3 239.290 2.660 20 0 BFADHM CCCCCNCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902049519 584517256 /nfs/dbraw/zinc/51/72/56/584517256.db2.gz UWQHYIVEWMOSIU-BQYQJAHWSA-N -1 3 237.299 2.657 20 0 BFADHM CCC(CC)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902058253 584521172 /nfs/dbraw/zinc/52/11/72/584521172.db2.gz XYCYNJPOMUILOI-BQYQJAHWSA-N -1 3 237.299 2.656 20 0 BFADHM C[C@@H]1CCC[C@H]1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902228870 584541863 /nfs/dbraw/zinc/54/18/63/584541863.db2.gz RVYPUEHRIUMDST-YUPHFNAYSA-N -1 3 249.310 2.656 20 0 BFADHM CCc1oc(CN[C@H]2CC=CCC2)cc1C(=O)[O-] ZINC000902264009 584545639 /nfs/dbraw/zinc/54/56/39/584545639.db2.gz HDXFUESNEDXWQL-JTQLQIEISA-N -1 3 249.310 2.739 20 0 BFADHM C=C/C=C\CCSCc1nc(C)cc(=O)[n-]1 ZINC000902344275 584557709 /nfs/dbraw/zinc/55/77/09/584557709.db2.gz XBONDTNPTSTBEJ-PLNGDYQASA-N -1 3 236.340 2.856 20 0 BFADHM CC(C)=CCCNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902366284 584565621 /nfs/dbraw/zinc/56/56/21/584565621.db2.gz PCGVKNCPSIFQFX-FPLPWBNLSA-N -1 3 249.310 2.823 20 0 BFADHM CC[C@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902401530 584587234 /nfs/dbraw/zinc/58/72/34/584587234.db2.gz UMMWAKNQXJTUJV-GZTOBOFZSA-N -1 3 249.310 2.609 20 0 BFADHM O=C([O-])c1ccc(CNC[C@@H]2C[C@H]2C2CCC2)o1 ZINC000902465819 584613898 /nfs/dbraw/zinc/61/38/98/584613898.db2.gz FNCKJYUSMMPWNC-JQWIXIFHSA-N -1 3 249.310 2.504 20 0 BFADHM CCc1oc(CN2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000902532239 584633111 /nfs/dbraw/zinc/63/31/11/584633111.db2.gz ZXLNHMQITLXGHN-VIFPVBQESA-N -1 3 237.299 2.525 20 0 BFADHM C[C@@H](NC/C=C\Cl)c1cc([O-])cc(F)c1 ZINC000903445475 584770191 /nfs/dbraw/zinc/77/01/91/584770191.db2.gz UJURQAPDZCHWAR-YAJNLLPGSA-N -1 3 229.682 2.934 20 0 BFADHM C/C(=C/CN(C)Cc1c(C)cccc1C)C(=O)[O-] ZINC000903946203 584829441 /nfs/dbraw/zinc/82/94/41/584829441.db2.gz CICOIEJJWNJHIB-JYRVWZFOSA-N -1 3 247.338 2.766 20 0 BFADHM O=C([N-]OCC(F)F)C1[C@@H]2CCCCCC[C@@H]12 ZINC000832187584 584911301 /nfs/dbraw/zinc/91/13/01/584911301.db2.gz YOQMFEZIONHJEB-RKDXNWHRSA-N -1 3 247.285 2.516 20 0 BFADHM CCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000736424746 585001673 /nfs/dbraw/zinc/00/16/73/585001673.db2.gz SAUBAIFUEUBNKE-QMMMGPOBSA-N -1 3 249.293 2.606 20 0 BFADHM CCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736424746 585001674 /nfs/dbraw/zinc/00/16/74/585001674.db2.gz SAUBAIFUEUBNKE-QMMMGPOBSA-N -1 3 249.293 2.606 20 0 BFADHM CC(C)CCOC(=O)Cc1ccc([O-])c(F)c1 ZINC000838142332 585047264 /nfs/dbraw/zinc/04/72/64/585047264.db2.gz XCBUTYXOYGVWQN-UHFFFAOYSA-N -1 3 240.274 2.663 20 0 BFADHM Cc1ccccc1C=Cc1nccc(=O)[n-]1 ZINC000742220508 585123376 /nfs/dbraw/zinc/12/33/76/585123376.db2.gz OVAJWBNVKUNCOX-SREVYHEPSA-N -1 3 212.252 2.661 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742221981 585123491 /nfs/dbraw/zinc/12/34/91/585123491.db2.gz XNYGXKYGRFNUDT-SREVYHEPSA-N -1 3 212.252 2.661 20 0 BFADHM Cc1cc(C)cc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742221123 585123535 /nfs/dbraw/zinc/12/35/35/585123535.db2.gz ZJOPTOSZMNBRDC-ONEGZZNKSA-N -1 3 226.279 2.969 20 0 BFADHM O=Cc1cc(C(=O)Nc2cccc([O-])c2)cs1 ZINC000747697457 585182518 /nfs/dbraw/zinc/18/25/18/585182518.db2.gz CAEWYOMZBKMCPF-UHFFFAOYSA-N -1 3 247.275 2.519 20 0 BFADHM C[C@@H](CC(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000748854025 585197365 /nfs/dbraw/zinc/19/73/65/585197365.db2.gz HYCOQQKWYPMNQM-QMMMGPOBSA-N -1 3 237.274 2.906 20 0 BFADHM CCCC[C@H](CC)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000749619293 585204240 /nfs/dbraw/zinc/20/42/40/585204240.db2.gz MMUYFBKOHOPBLI-NWDGAFQWSA-N -1 3 243.347 2.777 20 0 BFADHM CCC/C(C)=C\C(=O)Nc1nc(C)ccc1[O-] ZINC000753468304 585259276 /nfs/dbraw/zinc/25/92/76/585259276.db2.gz BZHPKIRBLQMZQE-HJWRWDBZSA-N -1 3 234.299 2.781 20 0 BFADHM Cc1ccc([O-])c(NC(=O)/C=C2\CC[C@@H](C)C2)n1 ZINC000753470969 585259278 /nfs/dbraw/zinc/25/92/78/585259278.db2.gz PVNJAALKANUZTK-FJUNDMEASA-N -1 3 246.310 2.781 20 0 BFADHM Cc1ccc([O-])c(NC(=O)/C=C2\CC[C@H](C)C2)n1 ZINC000753470972 585259316 /nfs/dbraw/zinc/25/93/16/585259316.db2.gz PVNJAALKANUZTK-OHMLCJAVSA-N -1 3 246.310 2.781 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C=C2CCCCC2)n1 ZINC000753464863 585259394 /nfs/dbraw/zinc/25/93/94/585259394.db2.gz JZPMYQWISJPWQA-UHFFFAOYSA-N -1 3 246.310 2.925 20 0 BFADHM O=C([N-]OCc1ccc(F)cc1)[C@H]1CC12CCC2 ZINC000754722685 585289861 /nfs/dbraw/zinc/28/98/61/585289861.db2.gz ARLYDYBVTASUGL-GFCCVEGCSA-N -1 3 249.285 2.564 20 0 BFADHM CCC(CC)OC(=O)c1ccc(F)cc1[O-] ZINC000754850611 585291862 /nfs/dbraw/zinc/29/18/62/585291862.db2.gz GVVAQLUGEZVDAO-UHFFFAOYSA-N -1 3 226.247 2.877 20 0 BFADHM CON(C(=O)c1ccc([O-])c(C)c1)C1CCCC1 ZINC000757631137 585343256 /nfs/dbraw/zinc/34/32/56/585343256.db2.gz BSHHIMGQXPHNKA-UHFFFAOYSA-N -1 3 249.310 2.647 20 0 BFADHM CON(C(=O)c1cccc(C)c1[O-])C1CCCC1 ZINC000757654139 585343782 /nfs/dbraw/zinc/34/37/82/585343782.db2.gz AHVFZALZGKPBFG-UHFFFAOYSA-N -1 3 249.310 2.647 20 0 BFADHM CC1(C)CCC[C@H](CC(=O)[N-]OCC(F)F)C1 ZINC000759330233 585367760 /nfs/dbraw/zinc/36/77/60/585367760.db2.gz ASILFHJAACLQPO-SECBINFHSA-N -1 3 249.301 2.906 20 0 BFADHM O=C(CC1CCCCCC1)[N-]OCC(F)F ZINC000759340347 585368625 /nfs/dbraw/zinc/36/86/25/585368625.db2.gz UVPSNBMZSPMEFJ-UHFFFAOYSA-N -1 3 235.274 2.660 20 0 BFADHM CC(C)CC1(C(=O)[N-]OCC(F)F)CCCC1 ZINC000759350117 585370983 /nfs/dbraw/zinc/37/09/83/585370983.db2.gz WNOCSSBJTAIXDB-UHFFFAOYSA-N -1 3 249.301 2.906 20 0 BFADHM CCN(Cc1nc(C)cc(=O)[n-]1)C1CCCCC1 ZINC000761864477 585420825 /nfs/dbraw/zinc/42/08/25/585420825.db2.gz NUDDDZFXYVOQGP-UHFFFAOYSA-N -1 3 249.358 2.645 20 0 BFADHM Cc1cc(=O)[n-]c(CN(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000761863410 585420986 /nfs/dbraw/zinc/42/09/86/585420986.db2.gz IAKLVVVEMDHGIE-CMPLNLGQSA-N -1 3 249.358 2.501 20 0 BFADHM CS/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000764741959 585472540 /nfs/dbraw/zinc/47/25/40/585472540.db2.gz DXZYUQRQKOSQGJ-VOTSOKGWSA-N -1 3 234.280 2.776 20 0 BFADHM C/C(=C/C(=O)[N-]OCC(F)(F)F)C(C)(C)C ZINC000766763337 585508058 /nfs/dbraw/zinc/50/80/58/585508058.db2.gz GDFGSMBCVDCQMC-ALCCZGGFSA-N -1 3 239.237 2.589 20 0 BFADHM C/C(=C\C(=O)[N-]OCC(F)(F)F)C(C)(C)C ZINC000766763338 585508172 /nfs/dbraw/zinc/50/81/72/585508172.db2.gz GDFGSMBCVDCQMC-FNORWQNLSA-N -1 3 239.237 2.589 20 0 BFADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OC1CCCC1 ZINC000769009766 585547169 /nfs/dbraw/zinc/54/71/69/585547169.db2.gz PZANTTINRMETLC-QWRGUYRKSA-N -1 3 225.332 2.803 20 0 BFADHM CCc1cccc(C(=O)Nc2cc(C)on2)c1[O-] ZINC000769628726 585561019 /nfs/dbraw/zinc/56/10/19/585561019.db2.gz QYIGDUHXIQVMRP-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM Cc1cc([O-])ccc1C(=O)OC1CCCC1 ZINC000772036448 585607559 /nfs/dbraw/zinc/60/75/59/585607559.db2.gz VFPCXVVVHKRAOQ-UHFFFAOYSA-N -1 3 220.268 2.800 20 0 BFADHM CC(C)CCOC(=O)c1c([O-])cccc1F ZINC000772576080 585618299 /nfs/dbraw/zinc/61/82/99/585618299.db2.gz CBMHLIJRYWORBG-UHFFFAOYSA-N -1 3 226.247 2.734 20 0 BFADHM CC[C@H](C)COC(=O)c1c([O-])cccc1F ZINC000772578538 585618448 /nfs/dbraw/zinc/61/84/48/585618448.db2.gz LOQFHNPJADPMBW-QMMMGPOBSA-N -1 3 226.247 2.734 20 0 BFADHM CCCCCOC(=O)c1c([O-])cccc1F ZINC000772583626 585618798 /nfs/dbraw/zinc/61/87/98/585618798.db2.gz YKSPPBXPWDYJPS-UHFFFAOYSA-N -1 3 226.247 2.878 20 0 BFADHM C[C@H](CC(C)(C)C)C(=O)[N-]O[C@H]1CCCCO1 ZINC000772654478 585619890 /nfs/dbraw/zinc/61/98/90/585619890.db2.gz AQGQHQXBIQNDJJ-MNOVXSKESA-N -1 3 243.347 2.633 20 0 BFADHM O=C(/C=C\c1cccs1)[N-]Oc1ccccc1 ZINC000773466709 585637513 /nfs/dbraw/zinc/63/75/13/585637513.db2.gz LBQHTKQNWILCPQ-HJWRWDBZSA-N -1 3 245.303 2.872 20 0 BFADHM CCC[C@@H](C)CC(=O)[N-]Oc1ccccc1 ZINC000773473699 585637733 /nfs/dbraw/zinc/63/77/33/585637733.db2.gz RFRWHWZZAIFDHC-LLVKDONJSA-N -1 3 221.300 2.923 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1(F)CCCC1 ZINC000773689163 585642453 /nfs/dbraw/zinc/64/24/53/585642453.db2.gz OBHKLILQANUEJK-UHFFFAOYSA-N -1 3 241.237 2.752 20 0 BFADHM CCC1(C(=O)[N-]OC2CCCC2)CCC1 ZINC000775274719 585674655 /nfs/dbraw/zinc/67/46/55/585674655.db2.gz SUWIUZYNZIGBGS-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM C[C@@H](CC(=O)[N-]OC1CCCCC1)C1CC1 ZINC000777958092 585724101 /nfs/dbraw/zinc/72/41/01/585724101.db2.gz JQBAEQHVLJVGQG-JTQLQIEISA-N -1 3 225.332 2.803 20 0 BFADHM CC(C)OCCCC(=O)[N-]OC1CCCCC1 ZINC000777950640 585724269 /nfs/dbraw/zinc/72/42/69/585724269.db2.gz UXWJSYSCXRBXII-UHFFFAOYSA-N -1 3 243.347 2.572 20 0 BFADHM Cc1cc(C(=O)OCCC(C)C)ccc1[O-] ZINC000778856348 585741670 /nfs/dbraw/zinc/74/16/70/585741670.db2.gz JWVGWXBWRCPHQQ-UHFFFAOYSA-N -1 3 222.284 2.904 20 0 BFADHM Cc1cc(C(=O)OCC(C)C)ccc1[O-] ZINC000778855340 585741776 /nfs/dbraw/zinc/74/17/76/585741776.db2.gz IHOLUJSPSHBEQZ-UHFFFAOYSA-N -1 3 208.257 2.513 20 0 BFADHM C[C@H](CC(=O)Nc1ccc([O-])cc1F)C1CC1 ZINC000782854021 585824995 /nfs/dbraw/zinc/82/49/95/585824995.db2.gz DJBQHTNRFMWJGF-MRVPVSSYSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC23CCC(CC2)C3)c1 ZINC000784365043 585857149 /nfs/dbraw/zinc/85/71/49/585857149.db2.gz IWINUCASWUMKRM-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CCO[N-]C(=O)CCCC[C@@H](C)CC ZINC000785112241 585870820 /nfs/dbraw/zinc/87/08/20/585870820.db2.gz ZDROFPKHTKQDKH-JTQLQIEISA-N -1 3 201.310 2.661 20 0 BFADHM CC/C=C(\C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000785426505 585873416 /nfs/dbraw/zinc/87/34/16/585873416.db2.gz DQPKHSQTHJJRCI-WEVVVXLNSA-N -1 3 235.283 2.696 20 0 BFADHM CCSCCOC(=O)c1cc2occc2[n-]1 ZINC000786027346 585885602 /nfs/dbraw/zinc/88/56/02/585885602.db2.gz BLAKEOPXMIHJQG-UHFFFAOYSA-N -1 3 239.296 2.671 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC/C=C/Cl ZINC000786345043 585890068 /nfs/dbraw/zinc/89/00/68/585890068.db2.gz RETQVJNEFGUFNT-SNAWJCMRSA-N -1 3 242.706 2.751 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OC/C=C/Cl ZINC000786345043 585890069 /nfs/dbraw/zinc/89/00/69/585890069.db2.gz RETQVJNEFGUFNT-SNAWJCMRSA-N -1 3 242.706 2.751 20 0 BFADHM Cc1[n-]nc(C(C)C)c1C(=O)OC/C=C\Cl ZINC000786345041 585890107 /nfs/dbraw/zinc/89/01/07/585890107.db2.gz RETQVJNEFGUFNT-PLNGDYQASA-N -1 3 242.706 2.751 20 0 BFADHM Cc1n[n-]c(C(C)C)c1C(=O)OC/C=C\Cl ZINC000786345041 585890108 /nfs/dbraw/zinc/89/01/08/585890108.db2.gz RETQVJNEFGUFNT-PLNGDYQASA-N -1 3 242.706 2.751 20 0 BFADHM CCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787846546 585916796 /nfs/dbraw/zinc/91/67/96/585916796.db2.gz URDNHFAIFBXQRC-UHFFFAOYSA-N -1 3 240.274 2.807 20 0 BFADHM CC1(C)CCCC[C@@H]1C(=O)[N-]OCC(F)F ZINC000790023553 585956219 /nfs/dbraw/zinc/95/62/19/585956219.db2.gz IILMUZNZFAJYGF-MRVPVSSYSA-N -1 3 235.274 2.516 20 0 BFADHM CC1(C)CCCC[C@H]1C(=O)[N-]OCC(F)F ZINC000790023555 585956268 /nfs/dbraw/zinc/95/62/68/585956268.db2.gz IILMUZNZFAJYGF-QMMMGPOBSA-N -1 3 235.274 2.516 20 0 BFADHM CCC[C@](C)(CC)C(=O)[N-]OCC(C)C ZINC000793729727 586025304 /nfs/dbraw/zinc/02/53/04/586025304.db2.gz MDNMTZYWRDSWEA-LBPRGKRZSA-N -1 3 215.337 2.907 20 0 BFADHM CCC1(C(=O)[N-]OC/C=C\Cl)CCCC1 ZINC000794294872 586037637 /nfs/dbraw/zinc/03/76/37/586037637.db2.gz XJLCGKXECHBPAZ-YVMONPNESA-N -1 3 231.723 2.757 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CC[C@H](C)C1 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ZINC000803107696 586334112 /nfs/dbraw/zinc/33/41/12/586334112.db2.gz YDOQTBJIGCAGCI-UHFFFAOYSA-N -1 3 247.285 2.516 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H]3C[C@H]32)c([O-])c1C ZINC000804297908 586389088 /nfs/dbraw/zinc/38/90/88/586389088.db2.gz PNJSUDGCVFSTJW-WCQYABFASA-N -1 3 245.322 2.634 20 0 BFADHM C[C@@H]1C[C@H]1COC(=O)c1cc([O-])ccc1Cl ZINC000859665659 589053371 /nfs/dbraw/zinc/05/33/71/589053371.db2.gz UHFFTAOEGSBFJN-SFYZADRCSA-N -1 3 240.686 2.858 20 0 BFADHM [O-]C(=NOC/C=C\Cl)Nc1cccc(F)c1 ZINC000810142460 586535391 /nfs/dbraw/zinc/53/53/91/586535391.db2.gz IXPHSHCRRNVXGR-DJWKRKHSSA-N -1 3 244.653 2.631 20 0 BFADHM O=C([N-]OC/C=C\Cl)Nc1cccc(F)c1 ZINC000810142460 586535392 /nfs/dbraw/zinc/53/53/92/586535392.db2.gz IXPHSHCRRNVXGR-DJWKRKHSSA-N -1 3 244.653 2.631 20 0 BFADHM CC(C)(C)SCCCC(=O)[N-]OC1CCC1 ZINC000812789626 586584502 /nfs/dbraw/zinc/58/45/02/586584502.db2.gz ICYDCXMAARGWII-UHFFFAOYSA-N -1 3 245.388 2.899 20 0 BFADHM O=C([N-]OC1CCC1)C1(Cc2ccccc2)CC1 ZINC000812789403 586584652 /nfs/dbraw/zinc/58/46/52/586584652.db2.gz YDOUUIOQDBSBII-UHFFFAOYSA-N -1 3 245.322 2.610 20 0 BFADHM CCCC1(C(=O)[N-]OC2CCC2)CCC1 ZINC000812788966 586584746 /nfs/dbraw/zinc/58/47/46/586584746.db2.gz FRFLWVVZGHVCSS-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM O=C(C[C@@H]1CCc2ccccc21)[N-]OC1CCC1 ZINC000812791946 586585360 /nfs/dbraw/zinc/58/53/60/586585360.db2.gz FCAONCNSNJXRKN-LBPRGKRZSA-N -1 3 245.322 2.707 20 0 BFADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OC1CCC1 ZINC000812792477 586585684 /nfs/dbraw/zinc/58/56/84/586585684.db2.gz BARIGQMXHWZLIH-MNOVXSKESA-N -1 3 225.332 2.803 20 0 BFADHM Cc1cc(C)c(CC(=O)[N-]OC2CCC2)c(C)c1 ZINC000812796437 586586147 /nfs/dbraw/zinc/58/61/47/586586147.db2.gz OYXIVPNMWONSAB-UHFFFAOYSA-N -1 3 247.338 2.755 20 0 BFADHM CCC[C@](C)(CC)C(=O)[N-]OCCOC(C)C ZINC000812807380 586587190 /nfs/dbraw/zinc/58/71/90/586587190.db2.gz MDCSJMRPSDEYME-ZDUSSCGKSA-N -1 3 245.363 2.676 20 0 BFADHM CCc1cc(C(=O)Nc2cc(C)on2)ccc1[O-] ZINC000813377219 586601480 /nfs/dbraw/zinc/60/14/80/586601480.db2.gz DBGUMKNGJXXGGK-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CCC(C)(C)C ZINC000816979006 586777205 /nfs/dbraw/zinc/77/72/05/586777205.db2.gz GBYMYPWXIXZXQR-JTQLQIEISA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C1=C(C)CCC1 ZINC000816979211 586777332 /nfs/dbraw/zinc/77/73/32/586777332.db2.gz KFRLDEXPESUELD-VIFPVBQESA-N -1 3 211.305 2.581 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C(C)(C)CC ZINC000816980256 586778161 /nfs/dbraw/zinc/77/81/61/586778161.db2.gz HVHMLYCBPLLTCZ-VIFPVBQESA-N -1 3 201.310 2.517 20 0 BFADHM CC(C)(C)CCO[N-]C(=O)CC(C)(C)C ZINC000817037379 586779693 /nfs/dbraw/zinc/77/96/93/586779693.db2.gz KOLDNQYGXPBDEE-UHFFFAOYSA-N -1 3 215.337 2.907 20 0 BFADHM CC(C)=C[C@H]1[C@H](C(=O)[N-]OCC2CC2)C1(C)C ZINC000817325101 586794323 /nfs/dbraw/zinc/79/43/23/586794323.db2.gz XEHBLZXRGDBOFM-NWDGAFQWSA-N -1 3 237.343 2.683 20 0 BFADHM CC(C)CC(C)(C)C(=O)[N-]OCC1CC1 ZINC000817350002 586798575 /nfs/dbraw/zinc/79/85/75/586798575.db2.gz PQSPDRXPFQRNLS-UHFFFAOYSA-N -1 3 213.321 2.517 20 0 BFADHM O=C(CCc1cccs1)[N-]OCCC1CC1 ZINC000817393269 586800362 /nfs/dbraw/zinc/80/03/62/586800362.db2.gz MVRZMWFLXYMWQB-UHFFFAOYSA-N -1 3 239.340 2.529 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCCC2CC2)C1 ZINC000817407739 586801065 /nfs/dbraw/zinc/80/10/65/586801065.db2.gz AEPKJWAVGZVNTK-PWSUYJOCSA-N -1 3 225.332 2.661 20 0 BFADHM CC(C)C[C@@H](C)C(=O)[N-]OCCC1CC1 ZINC000817426352 586804658 /nfs/dbraw/zinc/80/46/58/586804658.db2.gz ZCAOEZJUZCFDKR-SNVBAGLBSA-N -1 3 213.321 2.517 20 0 BFADHM CCCC[C@H](CC)C(=O)[N-]C1=NC[C@@H](C)S1 ZINC000819763386 586991228 /nfs/dbraw/zinc/99/12/28/586991228.db2.gz BNSTXOWZLZBTBX-ZJUUUORDSA-N -1 3 242.388 2.810 20 0 BFADHM CCC(CC)[C@@H](C)C(=O)[N-]C1=NC[C@H](C)S1 ZINC000819778581 586993288 /nfs/dbraw/zinc/99/32/88/586993288.db2.gz ZQZTWTDDESCPHE-DTWKUNHWSA-N -1 3 242.388 2.666 20 0 BFADHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc[nH]1 ZINC000820149030 587028002 /nfs/dbraw/zinc/02/80/02/587028002.db2.gz UIMLNMOAKLKGAP-JTQLQIEISA-N -1 3 244.294 2.564 20 0 BFADHM CCC=C(C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820218350 587035677 /nfs/dbraw/zinc/03/56/77/587035677.db2.gz IVIWBEOHWSAAPJ-XBXARRHUSA-N -1 3 245.282 2.563 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCCC1(F)F ZINC000820278958 587039422 /nfs/dbraw/zinc/03/94/22/587039422.db2.gz HBYRKNGDVKRBDI-VHSXEESVSA-N -1 3 249.301 2.906 20 0 BFADHM CC1=C(C)C[C@](C)(C(=O)[N-]OCC2CC2)CC1 ZINC000820484334 587051185 /nfs/dbraw/zinc/05/11/85/587051185.db2.gz IHXOXDPTMKTVHZ-CQSZACIVSA-N -1 3 237.343 2.971 20 0 BFADHM CCC(F)(F)C(=O)[N-][C@H]1CCCc2occc21 ZINC000820947126 587083421 /nfs/dbraw/zinc/08/34/21/587083421.db2.gz XHRNCIQRVSGDLC-VIFPVBQESA-N -1 3 243.253 2.819 20 0 BFADHM CCC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000821014978 587088590 /nfs/dbraw/zinc/08/85/90/587088590.db2.gz MLADDOCVDMVSSR-MRVPVSSYSA-N -1 3 249.343 2.542 20 0 BFADHM CCC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cn1 ZINC000821014978 587088592 /nfs/dbraw/zinc/08/85/92/587088592.db2.gz MLADDOCVDMVSSR-MRVPVSSYSA-N -1 3 249.343 2.542 20 0 BFADHM CC(C)=C(C)CC(=O)[N-]OC1CCCC1 ZINC000821720909 587135640 /nfs/dbraw/zinc/13/56/40/587135640.db2.gz SVTHWGUKCUMWBT-UHFFFAOYSA-N -1 3 211.305 2.723 20 0 BFADHM O=C(C/C=C/Cc1ccccc1)[N-]OCC1CC1 ZINC000823144863 587205316 /nfs/dbraw/zinc/20/53/16/587205316.db2.gz LVROAKGJRPLMHB-SNAWJCMRSA-N -1 3 245.322 2.633 20 0 BFADHM CCc1n[n-]c(Cl)c1C(=O)OC[C@H](C)CC ZINC000860222586 589090144 /nfs/dbraw/zinc/09/01/44/589090144.db2.gz BXAGYZJIDLYBGJ-SSDOTTSWSA-N -1 3 244.722 2.828 20 0 BFADHM CCc1[n-]nc(Cl)c1C(=O)OC[C@H](C)CC ZINC000860222586 589090146 /nfs/dbraw/zinc/09/01/46/589090146.db2.gz BXAGYZJIDLYBGJ-SSDOTTSWSA-N -1 3 244.722 2.828 20 0 BFADHM CCCCC1(C(=O)[N-]C2=NC[C@@H](C)S2)CC1 ZINC000823304839 587215690 /nfs/dbraw/zinc/21/56/90/587215690.db2.gz ADGSEVXWMIRCLQ-SECBINFHSA-N -1 3 240.372 2.564 20 0 BFADHM CCCO[N-]C(=O)C/C=C/Cc1ccccc1 ZINC000824041712 587251037 /nfs/dbraw/zinc/25/10/37/587251037.db2.gz QJLFNVSYSBEVQW-VOTSOKGWSA-N -1 3 233.311 2.633 20 0 BFADHM CC(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824229581 587261237 /nfs/dbraw/zinc/26/12/37/587261237.db2.gz SLUFFSPGEWZTQN-SNVBAGLBSA-N -1 3 245.330 2.713 20 0 BFADHM CC(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824229581 587261239 /nfs/dbraw/zinc/26/12/39/587261239.db2.gz SLUFFSPGEWZTQN-SNVBAGLBSA-N -1 3 245.330 2.713 20 0 BFADHM CC(C)CO[N-]C(=O)CC1CCC(F)(F)CC1 ZINC000860344866 589095057 /nfs/dbraw/zinc/09/50/57/589095057.db2.gz WEQXRZYBFMMLIT-UHFFFAOYSA-N -1 3 249.301 2.906 20 0 BFADHM Cc1cccc(CO[N-]C(=O)CCC2(C)CC2)n1 ZINC000825565815 587325557 /nfs/dbraw/zinc/32/55/57/587325557.db2.gz KXAYLZBBUCQNDV-UHFFFAOYSA-N -1 3 248.326 2.518 20 0 BFADHM C/C(=C\CN1CCC[C@@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825742343 587335288 /nfs/dbraw/zinc/33/52/88/587335288.db2.gz YOZPMBJZVGQTGB-OFFHKIPUSA-N -1 3 249.310 2.756 20 0 BFADHM C/C(=C/CN1CCC[C@H]1c1ccc(C)o1)C(=O)[O-] ZINC000825742347 587335366 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ZINC001210216248 969834686 /nfs/dbraw/zinc/83/46/86/969834686.db2.gz RZQYLLGAUAAAJF-UHFFFAOYSA-N -1 3 236.658 2.890 20 0 BFADHM Cc1cncnc1Nc1cccc(Cl)c1[O-] ZINC001210219393 969836303 /nfs/dbraw/zinc/83/63/03/969836303.db2.gz JMBSCDYUUIBLKO-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM Nc1noc2cc(-c3cccc(F)c3[O-])ccc12 ZINC001242353317 969901682 /nfs/dbraw/zinc/90/16/82/969901682.db2.gz YLIGLASEYMJSRG-UHFFFAOYSA-N -1 3 244.225 2.922 20 0 BFADHM C[C@H](O)c1cccc(Nc2ncc(F)cc2[O-])c1 ZINC001210506852 969917719 /nfs/dbraw/zinc/91/77/19/969917719.db2.gz KYFPXLWTJRCYJR-QMMMGPOBSA-N -1 3 248.257 2.723 20 0 BFADHM Cc1nnc([N-]c2cccc(OC3CC3)c2)o1 ZINC001210858994 970058772 /nfs/dbraw/zinc/05/87/72/970058772.db2.gz KFOLSGZXPRPKSP-UHFFFAOYSA-N -1 3 231.255 2.663 20 0 BFADHM CC(=Nc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC001210983494 970093798 /nfs/dbraw/zinc/09/37/98/970093798.db2.gz WITAUNYBLFGYGD-UHFFFAOYSA-N -1 3 227.267 2.573 20 0 BFADHM Cc1cc(C)n2nc([N-]c3nccs3)cc2n1 ZINC001210990361 970102047 /nfs/dbraw/zinc/10/20/47/970102047.db2.gz DPWHIPBJVDWCRS-UHFFFAOYSA-N -1 3 245.311 2.546 20 0 BFADHM [O-]c1cc(-c2cnc(C3CC3)nc2)ccc1F ZINC001243047287 970203419 /nfs/dbraw/zinc/20/34/19/970203419.db2.gz AAXPLQMHJNVQGL-UHFFFAOYSA-N -1 3 230.242 2.866 20 0 BFADHM Cc1cc(-c2ccc(F)c([O-])c2)c2ncnn2c1 ZINC001243047616 970203539 /nfs/dbraw/zinc/20/35/39/970203539.db2.gz FRFQODHIVNVEHI-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM [O-]c1cc(-c2ccncc2F)ccc1F ZINC001243050284 970205812 /nfs/dbraw/zinc/20/58/12/970205812.db2.gz VMAUGVRDCWACEH-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM Cc1cc(C(N)=O)ccc1-c1ccc(F)c([O-])c1 ZINC001243063873 970244601 /nfs/dbraw/zinc/24/46/01/970244601.db2.gz XBNJNVHLIKUWOM-UHFFFAOYSA-N -1 3 245.253 2.606 20 0 BFADHM Cc1ncc(Nc2cnccc2C2CC2)c(=O)[n-]1 ZINC001213873045 970396261 /nfs/dbraw/zinc/39/62/61/970396261.db2.gz PFGUFWGJIBHKIW-UHFFFAOYSA-N -1 3 242.282 2.507 20 0 BFADHM Cc1ccc(O)cc1Nc1ncc(F)cc1[O-] ZINC001214343318 970483758 /nfs/dbraw/zinc/48/37/58/970483758.db2.gz LENLOWROJPUJDD-UHFFFAOYSA-N -1 3 234.230 2.684 20 0 BFADHM CCC(CC)COC(=O)c1cccc2nn[n-]c21 ZINC001327476915 972586779 /nfs/dbraw/zinc/58/67/79/972586779.db2.gz UAYZNZYLLSNTGX-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM CCC(CC)COC(=O)c1cccc2[n-]nnc21 ZINC001327476915 972586789 /nfs/dbraw/zinc/58/67/89/972586789.db2.gz UAYZNZYLLSNTGX-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM CCC(CC)COC(=O)c1cccc2n[n-]nc21 ZINC001327476915 972586797 /nfs/dbraw/zinc/58/67/97/972586797.db2.gz UAYZNZYLLSNTGX-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1ncccc1[O-] ZINC001144289989 972749153 /nfs/dbraw/zinc/74/91/53/972749153.db2.gz MBAMVCGDBLYAPF-OUAUKWLOSA-N -1 3 246.310 2.552 20 0 BFADHM O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)Nc1cncc([O-])c1 ZINC001144290415 972751509 /nfs/dbraw/zinc/75/15/09/972751509.db2.gz XKAJIKIYVUJBBW-OUAUKWLOSA-N -1 3 246.310 2.552 20 0 BFADHM CCCN(C)Cc1c(F)cc([O-])cc1F ZINC001144541459 972862155 /nfs/dbraw/zinc/86/21/55/972862155.db2.gz GCWMQQRQZOVUET-UHFFFAOYSA-N -1 3 215.243 2.512 20 0 BFADHM C[C@H]1CCCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144541142 972862526 /nfs/dbraw/zinc/86/25/26/972862526.db2.gz CAGFUEJYYHMWKO-VIFPVBQESA-N -1 3 241.281 2.902 20 0 BFADHM [O-]c1cc(F)c(CN2CCCC23CC3)cc1F ZINC001144646768 972903745 /nfs/dbraw/zinc/90/37/45/972903745.db2.gz JHRPJSNXAIYXKC-UHFFFAOYSA-N -1 3 239.265 2.799 20 0 BFADHM O=C([O-])c1ccc2c(c1)CN(CCCC1CC1)C2 ZINC000405969364 973913548 /nfs/dbraw/zinc/91/35/48/973913548.db2.gz QIOGPVYNUHVQCO-UHFFFAOYSA-N -1 3 245.322 2.891 20 0 BFADHM Cc1cnc(=S)[n-]c1O[C@@H]1CCC(F)(F)C1 ZINC001225740393 974664451 /nfs/dbraw/zinc/66/44/51/974664451.db2.gz FLGWKAFZQXIDNZ-SSDOTTSWSA-N -1 3 246.282 2.640 20 0 BFADHM CC(=O)c1ccc([O-])c(OC2CC=CC2)c1 ZINC001225998111 974757627 /nfs/dbraw/zinc/75/76/27/974757627.db2.gz HYPGKEOELVVKQX-UHFFFAOYSA-N -1 3 218.252 2.692 20 0 BFADHM CC[C@@H](C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225993616 974758600 /nfs/dbraw/zinc/75/86/00/974758600.db2.gz IKXDQAPAZIUPRN-MRVPVSSYSA-N -1 3 208.257 2.772 20 0 BFADHM CC(=O)c1ccc([O-])c(OC2CCC2)c1 ZINC001225998844 974759686 /nfs/dbraw/zinc/75/96/86/974759686.db2.gz PUXJLNYNSGOFCT-UHFFFAOYSA-N -1 3 206.241 2.526 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cccs1 ZINC001226070734 974773880 /nfs/dbraw/zinc/77/38/80/974773880.db2.gz DJNSILDBXUJKOU-QMMMGPOBSA-N -1 3 236.296 2.692 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1ccccc1F ZINC001226070668 974774092 /nfs/dbraw/zinc/77/40/92/974774092.db2.gz CTDIPJDTSZDWNZ-VIFPVBQESA-N -1 3 248.257 2.770 20 0 BFADHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ccccc1F ZINC001226070666 974774560 /nfs/dbraw/zinc/77/45/60/974774560.db2.gz CTDIPJDTSZDWNZ-SECBINFHSA-N -1 3 248.257 2.770 20 0 BFADHM CC[C@@H]1CCCC[C@H]1Oc1nc[n-]c(=O)c1C ZINC001226071011 974777064 /nfs/dbraw/zinc/77/70/64/974777064.db2.gz KQGYYPQAUNUQBF-GHMZBOCLSA-N -1 3 236.315 2.838 20 0 BFADHM CCCCCC[C@H](C)Oc1[n-]c(=O)nnc1C ZINC001226461365 974912652 /nfs/dbraw/zinc/91/26/52/974912652.db2.gz OPTVNQUAGSFDHI-VIFPVBQESA-N -1 3 239.319 2.623 20 0 BFADHM CCc1nc(O[C@@H](C)[C@H](C)CC)cc(=O)[n-]1 ZINC001226476412 974922635 /nfs/dbraw/zinc/92/26/35/974922635.db2.gz RQYDTAKAOVICIQ-BDAKNGLRSA-N -1 3 224.304 2.558 20 0 BFADHM Cc1nc(O[C@@H](C)c2ccccc2)cc(=O)[n-]1 ZINC001226509363 974930632 /nfs/dbraw/zinc/93/06/32/974930632.db2.gz PUBPMHHFMWDWNN-VIFPVBQESA-N -1 3 230.267 2.631 20 0 BFADHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)n2)cc1 ZINC001226510626 974935120 /nfs/dbraw/zinc/93/51/20/974935120.db2.gz DFQSJAGAHVDDKV-JTQLQIEISA-N -1 3 244.294 2.939 20 0 BFADHM Cc1nc(O[C@H]2[C@H](C)CCC[C@@H]2C)cc(=O)[n-]1 ZINC001226512775 974936284 /nfs/dbraw/zinc/93/62/84/974936284.db2.gz UWBILXQFKNCNSF-WOFXILAISA-N -1 3 236.315 2.694 20 0 BFADHM Cc1nc(O[C@@H]2CCC[C@@H](C)[C@H]2C)cc(=O)[n-]1 ZINC001226512635 974938323 /nfs/dbraw/zinc/93/83/23/974938323.db2.gz TVIBJDMMLXELCY-FXPVBKGRSA-N -1 3 236.315 2.694 20 0 BFADHM [O-]c1cccc(O[C@H]2CCCOC2)c1Cl ZINC001226712784 975044327 /nfs/dbraw/zinc/04/43/27/975044327.db2.gz WBXLQNKOHUACBJ-QMMMGPOBSA-N -1 3 228.675 2.603 20 0 BFADHM CC1(C)[C@H]2CC[C@]1(C)[C@H](Oc1ccc(=O)[n-]n1)C2 ZINC001227094992 975270433 /nfs/dbraw/zinc/27/04/33/975270433.db2.gz LTQAFBDFBJTLJL-IMSIIYSGSA-N -1 3 248.326 2.776 20 0 BFADHM Cc1nsc([N-]c2cccnc2C2CC2)n1 ZINC001212735283 975402502 /nfs/dbraw/zinc/40/25/02/975402502.db2.gz OPDDJGUIAFNSQP-UHFFFAOYSA-N -1 3 232.312 2.863 20 0 BFADHM Cc1nc(Nc2cccnc2C2CC2)cc(=O)[n-]1 ZINC001212736117 975407299 /nfs/dbraw/zinc/40/72/99/975407299.db2.gz KBYROGQJQWUDSY-UHFFFAOYSA-N -1 3 242.282 2.507 20 0 BFADHM CSc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001173814641 975565129 /nfs/dbraw/zinc/56/51/29/975565129.db2.gz ZGIVEBQFUKKIES-UHFFFAOYSA-N -1 3 233.296 2.648 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc(F)c(F)c1 ZINC001173867844 975814310 /nfs/dbraw/zinc/81/43/10/975814310.db2.gz SUEQQDAYDGDCJP-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM Cc1cccc(C)c1Nc1cnc[n-]c1=O ZINC001173873369 975832129 /nfs/dbraw/zinc/83/21/29/975832129.db2.gz AEYGOGPXMGQNOF-UHFFFAOYSA-N -1 3 215.256 2.543 20 0 BFADHM Cc1cc(C)cc(Nc2cc(=O)[n-]c(C)n2)c1 ZINC001173826658 975844033 /nfs/dbraw/zinc/84/40/33/975844033.db2.gz LPGGTIIOOFVKHW-UHFFFAOYSA-N -1 3 229.283 2.851 20 0 BFADHM CC(C)c1ccc([N-]c2nonc2N)cc1 ZINC001173894221 975878214 /nfs/dbraw/zinc/87/82/14/975878214.db2.gz UKQLBIKLJUCPDV-UHFFFAOYSA-N -1 3 218.260 2.519 20 0 BFADHM Cc1nc(Nc2cc(F)ccc2F)cc(=O)[n-]1 ZINC001173950538 976105466 /nfs/dbraw/zinc/10/54/66/976105466.db2.gz DXCOMTGRUJYNKZ-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM COCc1ccccc1Nc1ncc(F)cc1[O-] ZINC001174104105 976302988 /nfs/dbraw/zinc/30/29/88/976302988.db2.gz WSNHHMBJVRVIOB-UHFFFAOYSA-N -1 3 248.257 2.816 20 0 BFADHM O=C1CCc2cc([O-])c(O[C@@H]3C=CCC3)cc21 ZINC001228854348 976535993 /nfs/dbraw/zinc/53/59/93/976535993.db2.gz RJSJMBIOFLYSCN-SNVBAGLBSA-N -1 3 230.263 2.619 20 0 BFADHM Cc1nonc1[N-]c1ccnc(C(F)(F)F)c1 ZINC001174360095 976604067 /nfs/dbraw/zinc/60/40/67/976604067.db2.gz HGZQGVFAJVUHIX-UHFFFAOYSA-N -1 3 244.176 2.535 20 0 BFADHM O=C([O-])/C=C\c1ccc(CN[C@H]2C=CCCC2)o1 ZINC001334800856 976692051 /nfs/dbraw/zinc/69/20/51/976692051.db2.gz VYDPHAPRNFIKBD-IQQGHNRFSA-N -1 3 247.294 2.576 20 0 BFADHM Cc1nc(O[C@H]2CCCC[C@@H]2C)c(C)c(=O)[n-]1 ZINC001229684430 976943657 /nfs/dbraw/zinc/94/36/57/976943657.db2.gz AQMCVMGZESKLLF-KWQFWETISA-N -1 3 236.315 2.757 20 0 BFADHM Cc1nc(OC2CCC(C)CC2)c(C)c(=O)[n-]1 ZINC001229684624 976944791 /nfs/dbraw/zinc/94/47/91/976944791.db2.gz DNWHVOIULOPYLD-UHFFFAOYSA-N -1 3 236.315 2.757 20 0 BFADHM Cc1nc(O[C@H](C)c2ccco2)c(C)c(=O)[n-]1 ZINC001229687235 976946932 /nfs/dbraw/zinc/94/69/32/976946932.db2.gz CHMDYUBOEQWCHR-MRVPVSSYSA-N -1 3 234.255 2.532 20 0 BFADHM [O-]c1cc(F)cnc1Nc1ccc(O)c(F)c1 ZINC001174732012 976972725 /nfs/dbraw/zinc/97/27/25/976972725.db2.gz LVBWGGGVYBEDEA-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM CC[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229952195 977034267 /nfs/dbraw/zinc/03/42/67/977034267.db2.gz ZEBLMMBYVDAXHS-LLVKDONJSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229952195 977034277 /nfs/dbraw/zinc/03/42/77/977034277.db2.gz ZEBLMMBYVDAXHS-LLVKDONJSA-N -1 3 246.314 2.680 20 0 BFADHM CCCC[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955675 977041399 /nfs/dbraw/zinc/04/13/99/977041399.db2.gz YIWQUZVBEKWQRF-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM CCCC[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955675 977041409 /nfs/dbraw/zinc/04/14/09/977041409.db2.gz YIWQUZVBEKWQRF-SNVBAGLBSA-N -1 3 246.314 2.824 20 0 BFADHM COc1cc(Nc2cnc(C)[n-]c2=O)ccc1C ZINC001175016353 977214903 /nfs/dbraw/zinc/21/49/03/977214903.db2.gz HLWSCHSGUNQHKW-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM Cc1cnc(Nc2c(F)cc([O-])cc2F)o1 ZINC001175094394 977268109 /nfs/dbraw/zinc/26/81/09/977268109.db2.gz BUGWJECWMQTALF-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM Cc1ccc(C)c(Nc2cnc(C)[n-]c2=O)c1 ZINC001175163050 977311385 /nfs/dbraw/zinc/31/13/85/977311385.db2.gz FPXFITOBMURWLR-UHFFFAOYSA-N -1 3 229.283 2.851 20 0 BFADHM CCOc1ccc(Nc2cnc[n-]c2=O)c(C)c1 ZINC001175242438 977340781 /nfs/dbraw/zinc/34/07/81/977340781.db2.gz GLJAGLNHMXRWMZ-UHFFFAOYSA-N -1 3 245.282 2.633 20 0 BFADHM O=c1cc(Nc2c(F)ccc([O-])c2F)cc[nH]1 ZINC001175262050 977361260 /nfs/dbraw/zinc/36/12/60/977361260.db2.gz ZENWQPQLDBCXNR-UHFFFAOYSA-N -1 3 238.193 2.515 20 0 BFADHM [O-]c1ccc(F)c(Nc2ccnc(F)c2)c1F ZINC001175262777 977361765 /nfs/dbraw/zinc/36/17/65/977361765.db2.gz KSQFVFXCJQIKNI-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM [O-]c1ccc(F)c(Nc2nccs2)c1F ZINC001175262065 977361967 /nfs/dbraw/zinc/36/19/67/977361967.db2.gz ZZJDVUKAJBVVBT-UHFFFAOYSA-N -1 3 228.223 2.871 20 0 BFADHM Cc1cnc([N-]c2c(F)ccc(O)c2F)o1 ZINC001175261999 977362718 /nfs/dbraw/zinc/36/27/18/977362718.db2.gz WVZKYZSYSMPJEP-UHFFFAOYSA-N -1 3 226.182 2.710 20 0 BFADHM C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)C1CC1 ZINC001231075921 977464301 /nfs/dbraw/zinc/46/43/01/977464301.db2.gz JSGXCZOLBPKHPK-ZETCQYMHSA-N -1 3 248.257 2.652 20 0 BFADHM CC[C@@H](C)[C@@H](C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118760 977486775 /nfs/dbraw/zinc/48/67/75/977486775.db2.gz VEXWIUDSACWCBQ-NXEZZACHSA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@@H](C)[C@@H](C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118760 977486787 /nfs/dbraw/zinc/48/67/87/977486787.db2.gz VEXWIUDSACWCBQ-NXEZZACHSA-N -1 3 246.314 2.680 20 0 BFADHM CCc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001175554128 977533549 /nfs/dbraw/zinc/53/35/49/977533549.db2.gz IOHGPGVGAYAWDE-UHFFFAOYSA-N -1 3 229.283 2.797 20 0 BFADHM CN1CCC=C(Nc2ccc([S-])cc2)C1 ZINC001175579914 977598850 /nfs/dbraw/zinc/59/88/50/977598850.db2.gz RWEKGCOSOJXELZ-UHFFFAOYSA-N -1 3 220.341 2.607 20 0 BFADHM [O-]c1cc(F)cnc1Nc1cccc2c[nH]nc21 ZINC001175634904 977600804 /nfs/dbraw/zinc/60/08/04/977600804.db2.gz CDGWVXVXSOMRFY-UHFFFAOYSA-N -1 3 244.229 2.546 20 0 BFADHM COc1cc([N-]c2nnc(C)o2)ccc1Cl ZINC001175770944 977741519 /nfs/dbraw/zinc/74/15/19/977741519.db2.gz PYMNELBKOFWVHV-UHFFFAOYSA-N -1 3 239.662 2.784 20 0 BFADHM O=c1ccc(Nc2cccc(Cl)c2[O-])c[nH]1 ZINC001176128668 977968909 /nfs/dbraw/zinc/96/89/09/977968909.db2.gz HPNPRGHQFRBAMM-UHFFFAOYSA-N -1 3 236.658 2.890 20 0 BFADHM Cc1noc(C)c1[N-]c1nc(C)cnc1Cl ZINC001176176403 977977602 /nfs/dbraw/zinc/97/76/02/977977602.db2.gz JNCUBONSWLRLBM-UHFFFAOYSA-N -1 3 238.678 2.787 20 0 BFADHM Cc1nc(Nc2cccc(Cl)c2)cc(=O)[n-]1 ZINC001176221567 978001460 /nfs/dbraw/zinc/00/14/60/978001460.db2.gz FGXVLJFGAANSOZ-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM C[C@@H]1CCN1Cc1cccc([O-])c1Cl ZINC001232783788 978274844 /nfs/dbraw/zinc/27/48/44/978274844.db2.gz BYIVPHAKECRLQG-MRVPVSSYSA-N -1 3 211.692 2.640 20 0 BFADHM CN(Cc1ccc(F)c([O-])c1F)CC1CC1 ZINC001232932105 978338835 /nfs/dbraw/zinc/33/88/35/978338835.db2.gz WBARZUYTBXMGPP-UHFFFAOYSA-N -1 3 227.254 2.512 20 0 BFADHM CC1CCN(Cc2ccc(F)c([O-])c2F)CC1 ZINC001232934031 978343580 /nfs/dbraw/zinc/34/35/80/978343580.db2.gz WCANTIDUUFRIRY-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM [O-]c1c(F)ccc(CN2CC3CC(C3)C2)c1F ZINC001232939744 978348944 /nfs/dbraw/zinc/34/89/44/978348944.db2.gz LQJDKZFJVPOTLL-UHFFFAOYSA-N -1 3 239.265 2.512 20 0 BFADHM [O-]c1cc(CN2CCCC23CC3)cc(F)c1F ZINC001232967986 978366852 /nfs/dbraw/zinc/36/68/52/978366852.db2.gz DDQFMNYEIFKYAI-UHFFFAOYSA-N -1 3 239.265 2.799 20 0 BFADHM [O-]c1cc(CN2CC3CC(C3)C2)cc(F)c1F ZINC001232975116 978375042 /nfs/dbraw/zinc/37/50/42/978375042.db2.gz DOLQKLJZFMTKMT-UHFFFAOYSA-N -1 3 239.265 2.512 20 0 BFADHM COc1ccc(CN2CC[C@H]2C)c(Cl)c1[O-] ZINC001233398004 978598194 /nfs/dbraw/zinc/59/81/94/978598194.db2.gz UHZXJJXLEKOYAQ-MRVPVSSYSA-N -1 3 241.718 2.648 20 0 BFADHM CC(=O)[C@@H](C)Oc1cc(Cl)c([O-])cc1C ZINC001233591074 978640055 /nfs/dbraw/zinc/64/00/55/978640055.db2.gz CZIXIKCNFWZKKB-MRVPVSSYSA-N -1 3 228.675 2.710 20 0 BFADHM Cc1nc(Nc2cccc3ccoc32)cc(=O)[n-]1 ZINC001249911037 978647478 /nfs/dbraw/zinc/64/74/78/978647478.db2.gz ACFQYZIARCPTEI-UHFFFAOYSA-N -1 3 241.250 2.980 20 0 BFADHM [O-]c1coc2ccc(OC(C3CC3)C3CC3)cc12 ZINC001233677322 978670784 /nfs/dbraw/zinc/67/07/84/978670784.db2.gz IHKQXDCZMQUGSB-UHFFFAOYSA-N -1 3 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ZINC001241277030 982408021 /nfs/dbraw/zinc/40/80/21/982408021.db2.gz FTJBBGCOUDSLIX-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM COc1ccc(-c2cc([O-])cc(F)c2)nc1C ZINC001241280251 982415258 /nfs/dbraw/zinc/41/52/58/982415258.db2.gz GHHOQHOMMHZBIM-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM C=Cc1ncc(-c2cc([O-])cc(F)c2)cn1 ZINC001241283570 982425395 /nfs/dbraw/zinc/42/53/95/982425395.db2.gz VLXFSTMJAHCYRZ-UHFFFAOYSA-N -1 3 216.215 2.631 20 0 BFADHM [O-]c1ccc(F)c(-c2ccnc3[nH]cnc32)c1F ZINC001241292468 982431981 /nfs/dbraw/zinc/43/19/81/982431981.db2.gz APCDMPXEOKKOBZ-UHFFFAOYSA-N -1 3 247.204 2.560 20 0 BFADHM Cc1cc(-c2c(F)ccc([O-])c2F)cc(=O)o1 ZINC001241293713 982437626 /nfs/dbraw/zinc/43/76/26/982437626.db2.gz LNAVHFBIFKVFLA-UHFFFAOYSA-N -1 3 238.189 2.599 20 0 BFADHM O=C(C[C@@H]1C=CCC1)[N-]Oc1ccccc1F ZINC001352272296 982503882 /nfs/dbraw/zinc/50/38/82/982503882.db2.gz NVHDLVBLWHAUJO-SNVBAGLBSA-N -1 3 235.258 2.592 20 0 BFADHM C[C@@H](c1cccc(Cl)c1F)N(C)CC(=O)[O-] ZINC001589175353 982660904 /nfs/dbraw/zinc/66/09/04/982660904.db2.gz ZPGFZKOEBRXFTB-ZETCQYMHSA-N -1 3 245.681 2.557 20 0 BFADHM Cc1cc(-c2ccc(=S)[n-]n2)cc2c[nH]nc21 ZINC001241513471 982675570 /nfs/dbraw/zinc/67/55/70/982675570.db2.gz MQGWARMKFVLTOF-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM CC(C)=CCCOc1cccc(-c2nnn[n-]2)c1 ZINC001589377725 982746294 /nfs/dbraw/zinc/74/62/94/982746294.db2.gz UQUXSHVVNQPBLC-UHFFFAOYSA-N -1 3 244.298 2.602 20 0 BFADHM CC(C)=CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001589377725 982746307 /nfs/dbraw/zinc/74/63/07/982746307.db2.gz UQUXSHVVNQPBLC-UHFFFAOYSA-N -1 3 244.298 2.602 20 0 BFADHM CC(C)=CCOc1ccc(-c2nn[n-]n2)cc1C ZINC001589379129 982750295 /nfs/dbraw/zinc/75/02/95/982750295.db2.gz DAQNEHMYYTXGKJ-UHFFFAOYSA-N -1 3 244.298 2.520 20 0 BFADHM CC(C)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001589597914 982843749 /nfs/dbraw/zinc/84/37/49/982843749.db2.gz NLMGEZMHUQYXEO-UHFFFAOYSA-N -1 3 246.314 2.682 20 0 BFADHM CSc1ccc(-c2ccc(=S)[n-]n2)cn1 ZINC001241632658 982869000 /nfs/dbraw/zinc/86/90/00/982869000.db2.gz BKFKNEMAKVSUJN-UHFFFAOYSA-N -1 3 235.337 2.549 20 0 BFADHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCCC1 ZINC000082278178 982959515 /nfs/dbraw/zinc/95/95/15/982959515.db2.gz IYAHBEPMYLASNX-UHFFFAOYSA-N -1 3 248.208 2.602 20 0 BFADHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000082278178 982959532 /nfs/dbraw/zinc/95/95/32/982959532.db2.gz IYAHBEPMYLASNX-UHFFFAOYSA-N -1 3 248.208 2.602 20 0 BFADHM CCS[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590851154 983001643 /nfs/dbraw/zinc/00/16/43/983001643.db2.gz HYBOSOGBYPMXIC-QMMMGPOBSA-N -1 3 234.328 2.681 20 0 BFADHM CCS[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590851154 983001656 /nfs/dbraw/zinc/00/16/56/983001656.db2.gz HYBOSOGBYPMXIC-QMMMGPOBSA-N -1 3 234.328 2.681 20 0 BFADHM CC[C@H](C)NC(=S)Nc1ccc(F)c([O-])c1 ZINC001200482694 983045225 /nfs/dbraw/zinc/04/52/25/983045225.db2.gz NHHGDCDKWIZLSY-ZETCQYMHSA-N -1 3 242.319 2.616 20 0 BFADHM Cc1cn(C[C@@H](C)CC(C)C)cc1-c1nnn[n-]1 ZINC001592287593 983133422 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/nfs/dbraw/zinc/41/98/32/983419832.db2.gz CCULNNJYUGIGLV-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM Nc1cccc(-c2ccc(F)cc2[O-])c1 ZINC001242219027 983420133 /nfs/dbraw/zinc/42/01/33/983420133.db2.gz HJKJCLBOGHYTQF-UHFFFAOYSA-N -1 3 203.216 2.781 20 0 BFADHM [O-]c1cc(F)ccc1-c1ccc2c(c1)OCO2 ZINC001242220572 983422719 /nfs/dbraw/zinc/42/27/19/983422719.db2.gz FMFMLRDBDCBVSQ-UHFFFAOYSA-N -1 3 232.210 2.927 20 0 BFADHM CC(=O)Nc1ccc(-c2ccc(F)cc2[O-])cn1 ZINC001242221196 983425644 /nfs/dbraw/zinc/42/56/44/983425644.db2.gz SBIWCOHYWGYGLR-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM COc1ccc(-c2ccc(F)cc2[O-])c(C)n1 ZINC001242221868 983426995 /nfs/dbraw/zinc/42/69/95/983426995.db2.gz YJTNMPKMMNAWQS-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1cc2n[nH]cc2cc1-c1ccc(=S)[n-]n1 ZINC001242283525 983505848 /nfs/dbraw/zinc/50/58/48/983505848.db2.gz VCPSKPRULBNVRU-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM Cc1c(-c2cccc(F)c2[O-])ccc2ncnn21 ZINC001242351797 983630408 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/nfs/dbraw/zinc/39/21/84/984392184.db2.gz AHLJHONIILWNKP-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM CNC(=O)c1ccc(-c2ccc(F)c([O-])c2)cc1 ZINC001243048120 984394468 /nfs/dbraw/zinc/39/44/68/984394468.db2.gz HMSKNRLKESNDNG-UHFFFAOYSA-N -1 3 245.253 2.558 20 0 BFADHM CCc1ncc(-c2ccc(F)c([O-])c2)cn1 ZINC001243048605 984396308 /nfs/dbraw/zinc/39/63/08/984396308.db2.gz KXSJYFGBRREIGR-UHFFFAOYSA-N -1 3 218.231 2.551 20 0 BFADHM [O-]c1cc(-c2ncnc3occc32)ccc1F ZINC001243047923 984397564 /nfs/dbraw/zinc/39/75/64/984397564.db2.gz HHFGDEUTLDXFNI-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM CCOc1ncccc1-c1ccc(F)c([O-])c1 ZINC001243049545 984400065 /nfs/dbraw/zinc/40/00/65/984400065.db2.gz QBQAENAAAYSVQC-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM O=C1Cc2ccc(-c3ccc(F)c([O-])c3)cc2N1 ZINC001243050171 984401515 /nfs/dbraw/zinc/40/15/15/984401515.db2.gz RMACFCAVWPREEX-UHFFFAOYSA-N -1 3 243.237 2.693 20 0 BFADHM COc1cccc(-c2ccc(F)c([O-])c2)n1 ZINC001243050224 984402100 /nfs/dbraw/zinc/40/21/00/984402100.db2.gz VTSZXWMJKIKNDF-UHFFFAOYSA-N -1 3 219.215 2.602 20 0 BFADHM CSc1ccc(-c2ccc(F)c([O-])c2)nn1 ZINC001243050676 984411129 /nfs/dbraw/zinc/41/11/29/984411129.db2.gz ZBICIQIYXDUNJF-UHFFFAOYSA-N -1 3 236.271 2.710 20 0 BFADHM CC(=O)Nc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243050510 984414674 /nfs/dbraw/zinc/41/46/74/984414674.db2.gz VNSOLBHXEJEJND-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM O=C1OCc2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243050567 984414712 /nfs/dbraw/zinc/41/47/12/984414712.db2.gz YVAJZIDELBMJHQ-UHFFFAOYSA-N -1 3 244.221 2.869 20 0 BFADHM COCOc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243054963 984420928 /nfs/dbraw/zinc/42/09/28/984420928.db2.gz WBINZFHGDCBWKV-UHFFFAOYSA-N -1 3 249.241 2.576 20 0 BFADHM CCc1coc(NC(=O)c2c(C)cccc2[O-])n1 ZINC001455395540 985074662 /nfs/dbraw/zinc/07/46/62/985074662.db2.gz YEUIMTVCVAISLR-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM [O-]c1cccc(-c2ncnc3occc32)c1F ZINC001243542100 985077899 /nfs/dbraw/zinc/07/78/99/985077899.db2.gz GYVQRJOGGPVBAZ-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM [O-]c1cccc(-c2ncnc3[nH]cc(F)c32)c1F ZINC001243544741 985082974 /nfs/dbraw/zinc/08/29/74/985082974.db2.gz VZIXUBVTVUKEHK-UHFFFAOYSA-N -1 3 247.204 2.560 20 0 BFADHM CCOc1ccc(-c2cccc([O-])c2F)cn1 ZINC001243545026 985084992 /nfs/dbraw/zinc/08/49/92/985084992.db2.gz NTRQLPBZUZPGDB-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM Cc1cc(-c2cccc([O-])c2F)ccc1C(N)=O ZINC001243546648 985089813 /nfs/dbraw/zinc/08/98/13/985089813.db2.gz BPBPKUPWVIONHP-UHFFFAOYSA-N -1 3 245.253 2.606 20 0 BFADHM COc1ccc(-c2cccc([O-])c2F)c(OC)n1 ZINC001243546380 985093421 /nfs/dbraw/zinc/09/34/21/985093421.db2.gz LKONSYNPDILCSX-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM [O-]c1cccc(-c2cnc3c(n2)CCCC3)c1F ZINC001243547816 985098605 /nfs/dbraw/zinc/09/86/05/985098605.db2.gz ZRBCCOOFKVLGBE-UHFFFAOYSA-N -1 3 244.269 2.867 20 0 BFADHM CCc1ncncc1-c1cccc([O-])c1F ZINC001243546815 985100411 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178376740 /nfs/dbraw/zinc/37/67/40/178376740.db2.gz HLQUOWRSQVWKKW-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CCc1ccc(C(=O)NC2(C)CCC2)c([O-])c1 ZINC000188547569 346820717 /nfs/dbraw/zinc/82/07/17/346820717.db2.gz MZLXAPPQNIFHAT-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c([O-])c1 ZINC000153781539 178395547 /nfs/dbraw/zinc/39/55/47/178395547.db2.gz AMHYAMFYJNSDIO-VXGBXAGGSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H]2C)c([O-])c1C ZINC000267908361 178396815 /nfs/dbraw/zinc/39/68/15/178396815.db2.gz XJKRDROITYUYRU-JQWIXIFHSA-N -1 3 247.338 2.880 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C)C2)c([O-])c1 ZINC000153781467 178397155 /nfs/dbraw/zinc/39/71/55/178397155.db2.gz AMHYAMFYJNSDIO-NWDGAFQWSA-N -1 3 247.338 2.819 20 0 BFADHM C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693013 344001835 /nfs/dbraw/zinc/00/18/35/344001835.db2.gz QIFVNNOWBOQNFT-SVRRBLITSA-N -1 3 225.675 2.640 20 0 BFADHM CCC(CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000226714504 168385968 /nfs/dbraw/zinc/38/59/68/168385968.db2.gz RTICBYHGIXQDGZ-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM CC(C)CCN(C)C(=O)c1cccc([O-])c1 ZINC000042457796 538977899 /nfs/dbraw/zinc/97/78/99/538977899.db2.gz GIDAMYNSPDESEI-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM CCc1[n-]n(CC(C)C)c(=O)c1C(C)C ZINC000634583959 342826649 /nfs/dbraw/zinc/82/66/49/342826649.db2.gz MXKHPQWRAMSOQQ-LLVKDONJSA-N -1 3 210.321 2.523 20 0 BFADHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])ccn1C ZINC000194932397 539008888 /nfs/dbraw/zinc/00/88/88/539008888.db2.gz AGFAMRSABFTTDV-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@H](C)C(C)(C)C ZINC000628008717 342870027 /nfs/dbraw/zinc/87/00/27/342870027.db2.gz WFPCFSPUPZLALL-SNVBAGLBSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C(C)C ZINC000625212583 342914839 /nfs/dbraw/zinc/91/48/39/342914839.db2.gz REDVEHBNRFRHRX-UHFFFAOYSA-N -1 3 235.327 2.865 20 0 BFADHM FC(F)(F)C[N-]c1nc2ccccc2o1 ZINC000037983914 398335493 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342986964 /nfs/dbraw/zinc/98/69/64/342986964.db2.gz COEHRJYBZDBFHS-BLFANLJRSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(CCC(C)(C)C)c(=O)c21 ZINC000634620751 343019740 /nfs/dbraw/zinc/01/97/40/343019740.db2.gz OEAAMGRBXRLGSO-GXSJLCMTSA-N -1 3 222.332 2.667 20 0 BFADHM CC[C@@H](C)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000212077108 343020733 /nfs/dbraw/zinc/02/07/33/343020733.db2.gz JYHUOADECJMQOM-SNVBAGLBSA-N -1 3 233.311 2.541 20 0 BFADHM Cc1[n-]n([C@H]2CCCC2(C)C)c(=O)c1C1CC1 ZINC000634625182 343028784 /nfs/dbraw/zinc/02/87/84/343028784.db2.gz AMGKANNKCSZEHS-RYUDHWBXSA-N -1 3 234.343 2.809 20 0 BFADHM CC(C)CN(C(=O)c1ccccc1[O-])C1CC1 ZINC000047846323 343013062 /nfs/dbraw/zinc/01/30/62/343013062.db2.gz FRCWPCJSUKEFMQ-UHFFFAOYSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1ccc(CN(C)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000235495368 343039930 /nfs/dbraw/zinc/03/99/30/343039930.db2.gz LRBWXAIFOKCCPP-VIFPVBQESA-N -1 3 241.718 2.553 20 0 BFADHM C[C@@H]1CCc2[n-]n(CC3(C)CCCC3)c(=O)c21 ZINC000634629735 343037988 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/nfs/dbraw/zinc/21/97/28/343219728.db2.gz DJRZJIZVGXEVQU-GXSJLCMTSA-N -1 3 233.311 2.619 20 0 BFADHM CCOCCN(C)Cc1cc([O-])ccc1Cl ZINC000625285350 343221069 /nfs/dbraw/zinc/22/10/69/343221069.db2.gz UILOCZNOBMJVLS-UHFFFAOYSA-N -1 3 243.734 2.514 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)C1CCCC1 ZINC000051361377 343255987 /nfs/dbraw/zinc/25/59/87/343255987.db2.gz ZPZPZYONCGESDM-UHFFFAOYSA-N -1 3 237.299 2.661 20 0 BFADHM CCC[C@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330413 343256170 /nfs/dbraw/zinc/25/61/70/343256170.db2.gz HPTVOYAPHGJOAJ-VIFPVBQESA-N -1 3 225.288 2.598 20 0 BFADHM CC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000037022028 343331288 /nfs/dbraw/zinc/33/12/88/343331288.db2.gz CPRZWXNEMCCFJM-GFCCVEGCSA-N -1 3 233.311 2.797 20 0 BFADHM CCN(C(=O)c1cccc([O-])c1)C1CCCC1 ZINC000035773187 343303997 /nfs/dbraw/zinc/30/39/97/343303997.db2.gz YLLVDELYFKYSPI-UHFFFAOYSA-N -1 3 233.311 2.797 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@]12C[C@H]1CCC2 ZINC000335636341 136301030 /nfs/dbraw/zinc/30/10/30/136301030.db2.gz BAWHWCHUZCGLSO-NOZJJQNGSA-N -1 3 217.268 2.521 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000335636346 136301235 /nfs/dbraw/zinc/30/12/35/136301235.db2.gz BAWHWCHUZCGLSO-ZANVPECISA-N -1 3 217.268 2.521 20 0 BFADHM Cc1csc2[n-]c(-c3cncs3)nc(=O)c12 ZINC000349009935 136311389 /nfs/dbraw/zinc/31/13/89/136311389.db2.gz RWWIPFYGVYLVGY-UHFFFAOYSA-N -1 3 249.320 2.829 20 0 BFADHM [O-]c1ccc(Cl)c(Cn2cc(C3CC3)nn2)c1 ZINC000641072251 362182816 /nfs/dbraw/zinc/18/28/16/362182816.db2.gz XBQVSQIXBGSTRK-UHFFFAOYSA-N -1 3 249.701 2.563 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCCC12CCC2 ZINC000335732507 136349457 /nfs/dbraw/zinc/34/94/57/136349457.db2.gz WYVZBLVVFCFCAV-UHFFFAOYSA-N -1 3 231.295 2.551 20 0 BFADHM CC1(C)CC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000166992497 136367303 /nfs/dbraw/zinc/36/73/03/136367303.db2.gz KCPDEBOFZFBDDG-NSHDSACASA-N -1 3 233.311 2.701 20 0 BFADHM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042559389 343443931 /nfs/dbraw/zinc/44/39/31/343443931.db2.gz UJALSZXVZDNKDR-NXEZZACHSA-N -1 3 221.300 2.557 20 0 BFADHM CC(C)CN(C(=O)c1cccc([O-])c1)C(C)C ZINC000042592682 343444982 /nfs/dbraw/zinc/44/49/82/343444982.db2.gz KGGVNGZBYNZMMK-UHFFFAOYSA-N -1 3 235.327 2.899 20 0 BFADHM C[C@@H](N[C@@H](C)C(=O)[O-])c1ccc(F)cc1Cl ZINC000049357533 343596877 /nfs/dbraw/zinc/59/68/77/343596877.db2.gz JSAFEXZGTHMPTA-RQJHMYQMSA-N -1 3 245.681 2.603 20 0 BFADHM C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000049357541 343596919 /nfs/dbraw/zinc/59/69/19/343596919.db2.gz JSAFEXZGTHMPTA-RNFRBKRXSA-N -1 3 245.681 2.603 20 0 BFADHM CC(C)(C)C(=O)CSCc1ncccc1[O-] ZINC000577053065 365793798 /nfs/dbraw/zinc/79/37/98/365793798.db2.gz CYWQKVKNDNFFPZ-UHFFFAOYSA-N -1 3 239.340 2.636 20 0 BFADHM Cc1sccc1-c1ccc(=S)[n-]n1 ZINC000235825172 344140935 /nfs/dbraw/zinc/14/09/35/344140935.db2.gz WJVSJHZBHWIOAQ-UHFFFAOYSA-N -1 3 208.311 2.802 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@]1(C)CC1(C)C ZINC000628137208 344260446 /nfs/dbraw/zinc/26/04/46/344260446.db2.gz AVWXDNTVNPQVRY-CQSZACIVSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc([C@@H](C)N(C)CC2CC2)oc1C(=O)[O-] ZINC000577521311 344535332 /nfs/dbraw/zinc/53/53/32/344535332.db2.gz AATJHGWTQKEGCC-SECBINFHSA-N -1 3 237.299 2.689 20 0 BFADHM CC[C@]1(C)CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626085586 344729248 /nfs/dbraw/zinc/72/92/48/344729248.db2.gz SADQLCWLZOZSOG-OAHLLOKOSA-N -1 3 247.338 2.963 20 0 BFADHM CCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117113347 344739645 /nfs/dbraw/zinc/73/96/45/344739645.db2.gz JDRUVCKCQGTWQV-UHFFFAOYSA-N -1 3 234.328 2.759 20 0 BFADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000626032485 344684338 /nfs/dbraw/zinc/68/43/38/344684338.db2.gz HXKRQVOYEMOZJO-NSHDSACASA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H](SCCc1nnn[n-]1)c1ccccc1 ZINC000603340055 349917684 /nfs/dbraw/zinc/91/76/84/349917684.db2.gz SKYQIQASRFUOGB-NSHDSACASA-N -1 3 248.355 2.627 20 0 BFADHM CC[C@H](SCCc1nn[n-]n1)c1ccccc1 ZINC000603340055 349917685 /nfs/dbraw/zinc/91/76/85/349917685.db2.gz SKYQIQASRFUOGB-NSHDSACASA-N -1 3 248.355 2.627 20 0 BFADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c([O-])c1 ZINC000184898929 178745272 /nfs/dbraw/zinc/74/52/72/178745272.db2.gz YKPVOJPBMDOOGY-WDEREUQCSA-N -1 3 233.311 2.931 20 0 BFADHM Cc1occc1SCc1ncccc1[O-] ZINC000579802643 345175180 /nfs/dbraw/zinc/17/51/80/345175180.db2.gz ACIHFKGIPLOZLO-UHFFFAOYSA-N -1 3 221.281 2.981 20 0 BFADHM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000229426705 345585483 /nfs/dbraw/zinc/58/54/83/345585483.db2.gz VOBJJRLHSKFWLO-GRYCIOLGSA-N -1 3 247.338 2.899 20 0 BFADHM CC(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879790 345790770 /nfs/dbraw/zinc/79/07/70/345790770.db2.gz DXOWBZIPZBZSLH-UHFFFAOYSA-N -1 3 213.664 2.640 20 0 BFADHM C[C@@H](c1ccco1)N(C)CCCCCC(=O)[O-] ZINC000563278131 323107610 /nfs/dbraw/zinc/10/76/10/323107610.db2.gz PNNZTLVGUABMFW-NSHDSACASA-N -1 3 239.315 2.917 20 0 BFADHM Cc1cccc(C(=O)N2CCCC(C)(C)C2)c1[O-] ZINC000070261414 179006786 /nfs/dbraw/zinc/00/67/86/179006786.db2.gz IODJLEHBNMGMDP-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cccc(C(=O)N2CC3CCC2CC3)c1[O-] ZINC000371397579 179007575 /nfs/dbraw/zinc/00/75/75/179007575.db2.gz PLBWWXMSAIMIKM-UHFFFAOYSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CCCC3(CC3)C2)c1[O-] ZINC000184122454 179007711 /nfs/dbraw/zinc/00/77/11/179007711.db2.gz PXVSQGWSWZTIJR-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H]2C2CC2)c1[O-] ZINC000377546293 179008603 /nfs/dbraw/zinc/00/86/03/179008603.db2.gz UHFGBCFYVYNDJL-CYBMUJFWSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000050566642 179008973 /nfs/dbraw/zinc/00/89/73/179008973.db2.gz BZBYOTOCUROLIM-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)C[C@H]2C)c1[O-] ZINC000051746426 179011679 /nfs/dbraw/zinc/01/16/79/179011679.db2.gz RNXVSTQDSSWKIM-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H]2C)c1[O-] ZINC000177092330 179011690 /nfs/dbraw/zinc/01/16/90/179011690.db2.gz DEEVLWVGTMENLG-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@@H](C)C[C@@H]2C)c1[O-] ZINC000051746422 179011783 /nfs/dbraw/zinc/01/17/83/179011783.db2.gz RNXVSTQDSSWKIM-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000088707569 179012963 /nfs/dbraw/zinc/01/29/63/179012963.db2.gz ACTPDIAGMOHJFB-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C[N-]c2nc(C(C)C)no2)n1 ZINC000301352080 187371306 /nfs/dbraw/zinc/37/13/06/187371306.db2.gz WHGGCYAIZDWISK-UHFFFAOYSA-N -1 3 232.287 2.509 20 0 BFADHM CCCCN(CC)C(=O)c1cc(C)ccc1[O-] ZINC000019838887 347294189 /nfs/dbraw/zinc/29/41/89/347294189.db2.gz SEABASSDDAXXNG-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM Cc1cnc(NC(=O)c2cccc(C)c2[O-])s1 ZINC000019839535 347294745 /nfs/dbraw/zinc/29/47/45/347294745.db2.gz BEFYGSJEHYIJNR-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1ccoc1CN(C)C(=O)c1cccc([O-])c1 ZINC000310860933 347313279 /nfs/dbraw/zinc/31/32/79/347313279.db2.gz RPDCWSXQOSUWSV-UHFFFAOYSA-N -1 3 245.278 2.566 20 0 BFADHM CSc1ccccc1[N-]C(=O)c1cocn1 ZINC000591119605 347621927 /nfs/dbraw/zinc/62/19/27/347621927.db2.gz BOMTYJJSCAQAQU-UHFFFAOYSA-N -1 3 234.280 2.649 20 0 BFADHM Cc1cc(C(=O)Nc2ccccc2[O-])c(C)[nH]1 ZINC000642200308 362914270 /nfs/dbraw/zinc/91/42/70/362914270.db2.gz HWGPNAFZBTZLER-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM CCCSCC(=O)Nc1cccc([O-])c1F ZINC000535659834 323187680 /nfs/dbraw/zinc/18/76/80/323187680.db2.gz ZHAWSQVVGAZTIT-UHFFFAOYSA-N -1 3 243.303 2.613 20 0 BFADHM C/C=C/CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419410193 192132068 /nfs/dbraw/zinc/13/20/68/192132068.db2.gz OFCVVFUXPPMFTF-NSCUHMNNSA-N -1 3 236.340 2.869 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1CCCC1 ZINC000082879342 348917730 /nfs/dbraw/zinc/91/77/30/348917730.db2.gz MNHBWKOQTXKXNY-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCCC(C)(C)[N-]S(=O)(=O)c1cccs1 ZINC000051163615 348931675 /nfs/dbraw/zinc/93/16/75/348931675.db2.gz NJCYVYFRJPXSOM-UHFFFAOYSA-N -1 3 247.385 2.605 20 0 BFADHM C[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])[C@H]1C ZINC000252218489 349198753 /nfs/dbraw/zinc/19/87/53/349198753.db2.gz YKBYOKDGEKMKDI-ZJUUUORDSA-N -1 3 237.299 2.598 20 0 BFADHM CC(C)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000088845505 191019320 /nfs/dbraw/zinc/01/93/20/191019320.db2.gz IWXVSPDKEZTZJN-CYBMUJFWSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1nc([N-]C(=O)c2sccc2F)cs1 ZINC000336137058 180014247 /nfs/dbraw/zinc/01/42/47/180014247.db2.gz AVKXPWVTEZRFRY-UHFFFAOYSA-N -1 3 242.300 2.904 20 0 BFADHM CCC(CC)CNC(=O)c1ccccc1[O-] ZINC000104921773 323298071 /nfs/dbraw/zinc/29/80/71/323298071.db2.gz CBUCPMJALAHZPH-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM CCn1c(=O)[n-]nc1S[C@H]1CCC[C@@H](C)C1 ZINC000605076629 350249307 /nfs/dbraw/zinc/24/93/07/350249307.db2.gz QCEBBLKXLRXBHV-BDAKNGLRSA-N -1 3 241.360 2.674 20 0 BFADHM O=C(CCC1CCCCC1)Nc1ccncc1[O-] ZINC000336897115 350531209 /nfs/dbraw/zinc/53/12/09/350531209.db2.gz OTBKTLRFAUKXBS-UHFFFAOYSA-N -1 3 248.326 2.508 20 0 BFADHM COc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000335739211 538099100 /nfs/dbraw/zinc/09/91/00/538099100.db2.gz KWUPXKSFSMTPKP-UWVGGRQHSA-N -1 3 249.310 2.776 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000335739212 538099136 /nfs/dbraw/zinc/09/91/36/538099136.db2.gz KWUPXKSFSMTPKP-VHSXEESVSA-N -1 3 249.310 2.776 20 0 BFADHM CC1(C)CCC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000339658190 350771919 /nfs/dbraw/zinc/77/19/19/350771919.db2.gz RYKZSVORVPSULL-JTQLQIEISA-N -1 3 248.326 2.942 20 0 BFADHM CC1(C)CC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000613331673 363110647 /nfs/dbraw/zinc/11/06/47/363110647.db2.gz MFPQKZVYKHESBG-VIFPVBQESA-N -1 3 237.274 2.906 20 0 BFADHM C[C@H](CC(F)F)C(=O)Nc1ccccc1[O-] ZINC000411198975 191169963 /nfs/dbraw/zinc/16/99/63/191169963.db2.gz JKUJWMXGADUORV-SSDOTTSWSA-N -1 3 229.226 2.622 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)C[C@@H]2C)n1 ZINC000412044647 191250838 /nfs/dbraw/zinc/25/08/38/191250838.db2.gz OZJRLPOUYZZOTD-QWRGUYRKSA-N -1 3 249.358 2.672 20 0 BFADHM C[C@H]1CC[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000334293633 352930628 /nfs/dbraw/zinc/93/06/28/352930628.db2.gz QSTVRKRFVXUTAE-DTWKUNHWSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@H](CC(F)F)C(=O)Nc1cc(F)ccc1[O-] ZINC000412175532 191266364 /nfs/dbraw/zinc/26/63/64/191266364.db2.gz ZJUQKKMGWKLWDK-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM CC(C)[C@H]1CCN1Cc1c(F)ccc([O-])c1F ZINC000351972815 535202068 /nfs/dbraw/zinc/20/20/68/535202068.db2.gz VGKQNHXGZPMDCZ-LLVKDONJSA-N -1 3 241.281 2.901 20 0 BFADHM CC(C)=CCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918811 188114792 /nfs/dbraw/zinc/11/47/92/188114792.db2.gz FIPMGJNIAABGLF-UHFFFAOYSA-N -1 3 233.311 2.783 20 0 BFADHM CC(C)[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174886414 188164178 /nfs/dbraw/zinc/16/41/78/188164178.db2.gz VRCTUQSGHQVBNW-QMMMGPOBSA-N -1 3 225.263 2.762 20 0 BFADHM Cc1cc([C@H](C)N2CC=C(C)CC2)oc1C(=O)[O-] ZINC000577878658 366095537 /nfs/dbraw/zinc/09/55/37/366095537.db2.gz RHJUHNXXFGLBGR-NSHDSACASA-N -1 3 249.310 2.999 20 0 BFADHM CC1(C(=O)[N-]OC2CCC2)CCC(F)(F)CC1 ZINC000529442384 324299021 /nfs/dbraw/zinc/29/90/21/324299021.db2.gz ARHVGRXGYLFAFP-UHFFFAOYSA-N -1 3 247.285 2.802 20 0 BFADHM COc1cc(C)nc(Sc2ccc([O-])cc2)n1 ZINC000344427159 354254599 /nfs/dbraw/zinc/25/45/99/354254599.db2.gz ZMJTYTVCWSQNQD-UHFFFAOYSA-N -1 3 248.307 2.650 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@H]2CC)c1 ZINC000334590626 354221226 /nfs/dbraw/zinc/22/12/26/354221226.db2.gz KPJSFTRJSJTQFK-LLVKDONJSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ncsc1NC(=O)c1cc(C)ccc1[O-] ZINC000334658202 354453386 /nfs/dbraw/zinc/45/33/86/354453386.db2.gz KLYQAHZWRSGHBV-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CC(C)(C)C1CN(C(=O)c2cccc([O-])c2)C1 ZINC000334761244 354581645 /nfs/dbraw/zinc/58/16/45/354581645.db2.gz GDCQKFWCZYFRTK-UHFFFAOYSA-N -1 3 233.311 2.510 20 0 BFADHM Cc1occc1C(=O)Nc1ccc(C)cc1[O-] ZINC000040419027 358490407 /nfs/dbraw/zinc/49/04/07/358490407.db2.gz IZPVOEHTHAXAGY-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM Cc1ncsc1C(=O)Nc1ccc(C)cc1[O-] ZINC000040436846 358490995 /nfs/dbraw/zinc/49/09/95/358490995.db2.gz DWDLKVXZKMIDCS-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@@H]1C[C@@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000335183757 355082018 /nfs/dbraw/zinc/08/20/18/355082018.db2.gz FFSABGAKLREZPD-PSASIEDQSA-N -1 3 230.267 2.641 20 0 BFADHM C[C@H]1C[C@H]1Cc1nc(-c2ccc([O-])cc2)no1 ZINC000335183760 355082111 /nfs/dbraw/zinc/08/21/11/355082111.db2.gz FFSABGAKLREZPD-WPRPVWTQSA-N -1 3 230.267 2.641 20 0 BFADHM O=c1cc(CSCC2CC2)nc(C2CC2)[n-]1 ZINC000413005298 191337939 /nfs/dbraw/zinc/33/79/39/191337939.db2.gz VQFJXSQSVSKWSM-UHFFFAOYSA-N -1 3 236.340 2.703 20 0 BFADHM O=C([O-])c1cc(CN2CCCCCC2)cs1 ZINC000016943944 355322422 /nfs/dbraw/zinc/32/24/22/355322422.db2.gz BKIYAZQHQWPTPX-UHFFFAOYSA-N -1 3 239.340 2.822 20 0 BFADHM CCc1cccnc1C(=O)Nc1ccccc1[O-] ZINC000335803532 355473529 /nfs/dbraw/zinc/47/35/29/355473529.db2.gz OWJWRHTVXSMQBT-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)CC1CCC1 ZINC000350127857 355610037 /nfs/dbraw/zinc/61/00/37/355610037.db2.gz RRNWKEGJFIIDOS-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM CCCC[C@H](CC)C[N-]C(=O)C(F)(F)F ZINC000006043082 355660906 /nfs/dbraw/zinc/66/09/06/355660906.db2.gz SHXDVRKLRBPZSH-QMMMGPOBSA-N -1 3 225.254 2.881 20 0 BFADHM CC1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000350175736 355619370 /nfs/dbraw/zinc/61/93/70/355619370.db2.gz IRECVFAKASSQQA-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM CCC(C)(C)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000617574206 356139826 /nfs/dbraw/zinc/13/98/26/356139826.db2.gz VIEGKUYTKLTWGQ-SNVBAGLBSA-N -1 3 235.327 2.947 20 0 BFADHM CC(C)CC(=O)Nc1cccc([O-])c1F ZINC000128949708 324899923 /nfs/dbraw/zinc/89/99/23/324899923.db2.gz ULKJUGVTMVCTMQ-UHFFFAOYSA-N -1 3 211.236 2.516 20 0 BFADHM Cc1cc(C(=O)N2CC(C)=C[C@H](C)C2)ccc1[O-] ZINC000336165521 134113124 /nfs/dbraw/zinc/11/31/24/134113124.db2.gz BLRBOKUYWVAJPI-JTQLQIEISA-N -1 3 245.322 2.739 20 0 BFADHM Cc1occc1C(=O)Nc1c(C)cccc1[O-] ZINC000179551974 366269414 /nfs/dbraw/zinc/26/94/14/366269414.db2.gz FBHZXFHOPWIVFZ-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)cc1 ZINC000350566294 366298295 /nfs/dbraw/zinc/29/82/95/366298295.db2.gz NRSJANVSVTWOJP-NEPJUHHUSA-N -1 3 242.278 2.956 20 0 BFADHM CCCCOCc1nc(-c2ccc([O-])cc2)no1 ZINC000350581406 366303510 /nfs/dbraw/zinc/30/35/10/366303510.db2.gz QCARGLGBSWWGNY-UHFFFAOYSA-N -1 3 248.282 2.759 20 0 BFADHM CCO[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000350580036 366303680 /nfs/dbraw/zinc/30/36/80/366303680.db2.gz OPRJTTLYOJDIDC-QMMMGPOBSA-N -1 3 234.255 2.540 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CC=CCC2)sc1C ZINC000450343238 202135217 /nfs/dbraw/zinc/13/52/17/202135217.db2.gz WSLMWIUVVGHCCL-JTQLQIEISA-N -1 3 236.340 2.597 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCCCC1 ZINC000623344334 356747296 /nfs/dbraw/zinc/74/72/96/356747296.db2.gz HZSFYJIPEOYOSO-UHFFFAOYSA-N -1 3 233.311 2.717 20 0 BFADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000356733852 356803549 /nfs/dbraw/zinc/80/35/49/356803549.db2.gz UNHKVKPHFCTVBP-GHMZBOCLSA-N -1 3 248.326 2.942 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2cccc(O)c2)c1 ZINC000020211907 357001262 /nfs/dbraw/zinc/00/12/62/357001262.db2.gz FUULQVUUMJFZJA-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000626529060 357260153 /nfs/dbraw/zinc/26/01/53/357260153.db2.gz ILTRTPWFCXOBBY-NWDGAFQWSA-N -1 3 245.322 2.715 20 0 BFADHM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc([O-])c1 ZINC000230687911 357550228 /nfs/dbraw/zinc/55/02/28/357550228.db2.gz YGWDNYUMSANOBP-CMPLNLGQSA-N -1 3 233.311 2.558 20 0 BFADHM CC[C@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233986961 357765049 /nfs/dbraw/zinc/76/50/49/357765049.db2.gz ZTYFSARTSUTFRN-QMMMGPOBSA-N -1 3 241.718 2.916 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000235321666 357864866 /nfs/dbraw/zinc/86/48/66/357864866.db2.gz MSHZXHSNTBHYAS-SKDRFNHKSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000235321673 357865044 /nfs/dbraw/zinc/86/50/44/357865044.db2.gz MSHZXHSNTBHYAS-BXKDBHETSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)N(CC2CC2)C(C)C)ccc1[O-] ZINC000227018485 358347621 /nfs/dbraw/zinc/34/76/21/358347621.db2.gz HZSNGVHMDLYOIG-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@H](N(C)Cc1occc1C(=O)[O-])C(C)(C)C ZINC000042771081 358358167 /nfs/dbraw/zinc/35/81/67/358358167.db2.gz BYAJVXHUTCZWAP-SECBINFHSA-N -1 3 239.315 2.844 20 0 BFADHM CCCCSCc1nc(CC)cc(=O)[n-]1 ZINC000125629040 358542745 /nfs/dbraw/zinc/54/27/45/358542745.db2.gz JIKYSULVKYJYKV-UHFFFAOYSA-N -1 3 226.345 2.778 20 0 BFADHM C[C@@H](N(C)C(=O)c1cccc([O-])c1)C(C)(C)C ZINC000042781328 358529472 /nfs/dbraw/zinc/52/94/72/358529472.db2.gz QHUNEKQQVSLKIU-SNVBAGLBSA-N -1 3 235.327 2.899 20 0 BFADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])co1 ZINC000130561175 358631558 /nfs/dbraw/zinc/63/15/58/358631558.db2.gz IDMZZYFWOCZCDT-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM CCC[C@H](C)CC(=O)Nc1ncccc1[O-] ZINC000132317273 358718219 /nfs/dbraw/zinc/71/82/19/358718219.db2.gz NCBNQGHXDDNLFT-VIFPVBQESA-N -1 3 222.288 2.552 20 0 BFADHM Cc1c([N-]c2nc3cc(F)ccc3o2)cnn1C ZINC000176808018 134294569 /nfs/dbraw/zinc/29/45/69/134294569.db2.gz GFZNNBHGXWGWEV-UHFFFAOYSA-N -1 3 246.245 2.752 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)CC2CCC2)c1 ZINC000061482087 358933883 /nfs/dbraw/zinc/93/38/83/358933883.db2.gz PPMWVAIRVKVFNK-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CC(C)=CCCNC(=O)c1c(C)cccc1[O-] ZINC000626635516 358997667 /nfs/dbraw/zinc/99/76/67/358997667.db2.gz OEFAADBRFBUJMF-UHFFFAOYSA-N -1 3 233.311 2.787 20 0 BFADHM CCC[C@H](C)NC(=O)c1cc(CC)ccc1[O-] ZINC000623466361 359668529 /nfs/dbraw/zinc/66/85/29/359668529.db2.gz CFSGAYFBRJZWTR-JTQLQIEISA-N -1 3 235.327 2.873 20 0 BFADHM CCC[C@@H](C)NC(=O)c1cc(CC)ccc1[O-] ZINC000623466362 359668846 /nfs/dbraw/zinc/66/88/46/359668846.db2.gz CFSGAYFBRJZWTR-SNVBAGLBSA-N -1 3 235.327 2.873 20 0 BFADHM C=CCN(CC=C)CCc1ccccc1C(=O)[O-] ZINC000118855963 359872704 /nfs/dbraw/zinc/87/27/04/359872704.db2.gz AALJHKWSUPNYFY-UHFFFAOYSA-N -1 3 245.322 2.601 20 0 BFADHM CCCN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000578635031 366614495 /nfs/dbraw/zinc/61/44/95/366614495.db2.gz SPQGXXIWDATNED-SECBINFHSA-N -1 3 225.288 2.689 20 0 BFADHM C[C@H](C1CC1)N(Cc1occc1C(=O)[O-])C1CC1 ZINC000578541031 366594817 /nfs/dbraw/zinc/59/48/17/366594817.db2.gz VEVQFNYYBIKECO-SECBINFHSA-N -1 3 249.310 2.741 20 0 BFADHM Cc1ccc(CN(C)Cc2ncccc2[O-])s1 ZINC000578679523 366625715 /nfs/dbraw/zinc/62/57/15/366625715.db2.gz GYWZQIHNYICMNP-UHFFFAOYSA-N -1 3 248.351 2.789 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000088055527 359934114 /nfs/dbraw/zinc/93/41/14/359934114.db2.gz QEHDZXSKGMGNBS-BDAKNGLRSA-N -1 3 230.267 2.874 20 0 BFADHM CC(C)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000088845493 359980914 /nfs/dbraw/zinc/98/09/14/359980914.db2.gz RCIVIXMOSKWLAC-GFCCVEGCSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1cscc1CNCc1nc(C)ccc1[O-] ZINC000094877361 360323813 /nfs/dbraw/zinc/32/38/13/360323813.db2.gz OVPCSDGSCIYIIL-UHFFFAOYSA-N -1 3 248.351 2.755 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613111045 360365293 /nfs/dbraw/zinc/36/52/93/360365293.db2.gz XWJNHMBYSXLTKZ-IVZWLZJFSA-N -1 3 249.285 2.906 20 0 BFADHM Cc1coc(C)c1C(=O)Nc1ccccc1[O-] ZINC000096786852 360354958 /nfs/dbraw/zinc/35/49/58/360354958.db2.gz BOIKDSIJCWKURX-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM CCc1cccc(C(=O)N(C2CC2)C2CC2)c1[O-] ZINC000628814724 360678500 /nfs/dbraw/zinc/67/85/00/360678500.db2.gz FOHRDIBEPFHIDA-UHFFFAOYSA-N -1 3 245.322 2.722 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000613205593 361199982 /nfs/dbraw/zinc/19/99/82/361199982.db2.gz FHTDDPDMJRXNOM-URLYPYJESA-N -1 3 231.295 2.685 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCCC2(CC2)CC1 ZINC000629648606 361542340 /nfs/dbraw/zinc/54/23/40/361542340.db2.gz RWFYVTKYQJNNQS-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM CC[C@@H](C)N(CC)C(=O)c1cccc([O-])c1 ZINC000037113703 361677536 /nfs/dbraw/zinc/67/75/36/361677536.db2.gz NEXPNYNSRGEDJI-SNVBAGLBSA-N -1 3 221.300 2.653 20 0 BFADHM CC[C@H](C)N(CC)C(=O)c1cccc(C)c1[O-] ZINC000037113688 361677653 /nfs/dbraw/zinc/67/76/53/361677653.db2.gz SQXCDTAMXOIZJW-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM CCCc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000435959461 201302651 /nfs/dbraw/zinc/30/26/51/201302651.db2.gz YJXREHMTKSSCHF-BQYQJAHWSA-N -1 3 230.267 2.898 20 0 BFADHM C[C@@H]1CN(C(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC000436822909 201339433 /nfs/dbraw/zinc/33/94/33/201339433.db2.gz XWPSWRRUBGBQKD-NSHDSACASA-N -1 3 247.338 2.900 20 0 BFADHM C/C=C(/C)c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000436908200 201339987 /nfs/dbraw/zinc/33/99/87/201339987.db2.gz URGDIXLDLPPPGK-YWEYNIOJSA-N -1 3 246.266 2.874 20 0 BFADHM CCCCCNC(=O)c1cc(CC)ccc1[O-] ZINC000436938258 201341449 /nfs/dbraw/zinc/34/14/49/201341449.db2.gz IXUFUBSSUPUHTO-UHFFFAOYSA-N -1 3 235.327 2.875 20 0 BFADHM Cc1ccc(C(=O)NC[C@H]2CC2(C)C)c([O-])c1C ZINC000436946859 201341692 /nfs/dbraw/zinc/34/16/92/201341692.db2.gz PTTFXZMNCNHQAD-LLVKDONJSA-N -1 3 247.338 2.785 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CC(C)C)c1 ZINC000037265443 363883563 /nfs/dbraw/zinc/88/35/63/363883563.db2.gz FWKMADSJTQYUGF-LLVKDONJSA-N -1 3 235.327 2.865 20 0 BFADHM CC[C@@](C)(NC(=O)c1cccc([O-])c1)C1CC1 ZINC000618958368 364220611 /nfs/dbraw/zinc/22/06/11/364220611.db2.gz RQRQGTYVZRUJBA-CQSZACIVSA-N -1 3 233.311 2.701 20 0 BFADHM CC(C)[C@H]1CCCN(c2ccncc2C(=O)[O-])C1 ZINC000573449186 364836392 /nfs/dbraw/zinc/83/63/92/364836392.db2.gz QDINETSCISUEMX-NSHDSACASA-N -1 3 248.326 2.652 20 0 BFADHM COc1ccc(NC(=O)CC2(C)CC2)c([O-])c1 ZINC000430337890 541382774 /nfs/dbraw/zinc/38/27/74/541382774.db2.gz NSGNGVLQJDQNDC-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1Cc1cc(C(=O)[O-])co1 ZINC000574163939 364999333 /nfs/dbraw/zinc/99/93/33/364999333.db2.gz FOATXXYDFAWPLV-SNVBAGLBSA-N -1 3 249.310 2.742 20 0 BFADHM Cc1cccc(C(=O)N2CC(CC3CC3)C2)c1[O-] ZINC000622252505 370803469 /nfs/dbraw/zinc/80/34/69/370803469.db2.gz SGOPJWVITOHUEP-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1 ZINC000622272927 370812896 /nfs/dbraw/zinc/81/28/96/370812896.db2.gz PNYUOXHHMRMJIB-UHFFFAOYSA-N -1 3 245.253 2.713 20 0 BFADHM C[C@H](CN(C)Cc1sccc1Cl)C(=O)[O-] ZINC000379830440 365286477 /nfs/dbraw/zinc/28/64/77/365286477.db2.gz XROFCZOJGPKKAN-SSDOTTSWSA-N -1 3 247.747 2.554 20 0 BFADHM C[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC000575927933 365419212 /nfs/dbraw/zinc/41/92/12/365419212.db2.gz WMEUHZUTRHBFCT-MGCOHNPYSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccnc1 ZINC000174062402 365470005 /nfs/dbraw/zinc/47/00/05/365470005.db2.gz TYQFSECRGDQNJR-SNVBAGLBSA-N -1 3 242.278 2.529 20 0 BFADHM CCCC[C@@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000579591333 366895738 /nfs/dbraw/zinc/89/57/38/366895738.db2.gz JUEXHSJTFIFUDY-MRVPVSSYSA-N -1 3 248.286 2.526 20 0 BFADHM CC1(C)CCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000360874320 366933187 /nfs/dbraw/zinc/93/31/87/366933187.db2.gz QZTRZIQBULKLKH-LBPRGKRZSA-N -1 3 247.338 2.948 20 0 BFADHM CCc1onc(C)c1NC(=O)c1cccc([O-])c1 ZINC000182943544 366960802 /nfs/dbraw/zinc/96/08/02/366960802.db2.gz SBOUBXKGOAMDKU-UHFFFAOYSA-N -1 3 246.266 2.503 20 0 BFADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])n1C ZINC000183017391 366966926 /nfs/dbraw/zinc/96/69/26/366966926.db2.gz RRYUUEGVGRHGFP-UHFFFAOYSA-N -1 3 244.294 2.600 20 0 BFADHM Cc1[nH]ccc1C(=O)Nc1c(C)cccc1[O-] ZINC000183039712 366967921 /nfs/dbraw/zinc/96/79/21/366967921.db2.gz GTTWYEDJFMIJPS-UHFFFAOYSA-N -1 3 230.267 2.589 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000183081583 366973617 /nfs/dbraw/zinc/97/36/17/366973617.db2.gz UPUQVWHIGYFBDE-WDEREUQCSA-N -1 3 231.295 2.685 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000183081607 366973890 /nfs/dbraw/zinc/97/38/90/366973890.db2.gz UPUQVWHIGYFBDE-QWRGUYRKSA-N -1 3 231.295 2.685 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000183081547 366974276 /nfs/dbraw/zinc/97/42/76/366974276.db2.gz UPUQVWHIGYFBDE-GHMZBOCLSA-N -1 3 231.295 2.685 20 0 BFADHM CCc1ccc(C(=O)NCC2CCCC2)c([O-])c1 ZINC000622303303 370832060 /nfs/dbraw/zinc/83/20/60/370832060.db2.gz HNRKIBQYTJSEKJ-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM C[C@H]1CN(Cc2cc(C(=O)[O-])co2)C(C)(C)C1 ZINC000380375807 367194753 /nfs/dbraw/zinc/19/47/53/367194753.db2.gz HPCIIFBUHMKWFF-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC2(C)C)c([O-])c1 ZINC000383380755 367617890 /nfs/dbraw/zinc/61/78/90/367617890.db2.gz BCMXKMVWYSGWOS-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H](N(C)Cc1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000385168012 367804195 /nfs/dbraw/zinc/80/41/95/367804195.db2.gz DVMGXLBIPVLDJU-SECBINFHSA-N -1 3 237.299 2.598 20 0 BFADHM O=C(NC12CCC(CC1)CC2)c1ccccc1[O-] ZINC000456257463 202926538 /nfs/dbraw/zinc/92/65/38/202926538.db2.gz UDVONLKWJKUTEU-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM O=C([N-]c1nc2ccccc2s1)c1ccon1 ZINC000067287777 368682825 /nfs/dbraw/zinc/68/28/25/368682825.db2.gz VVFBPSFPNGROHM-UHFFFAOYSA-N -1 3 245.263 2.537 20 0 BFADHM O=C([O-])c1ccc(CN2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000087777893 368898345 /nfs/dbraw/zinc/89/83/45/368898345.db2.gz AGACRDUJRWZMKN-JQWIXIFHSA-N -1 3 249.310 2.742 20 0 BFADHM C[C@H]1CC[C@H](C)N(Cc2ccoc2C(=O)[O-])C1 ZINC000088705718 368924907 /nfs/dbraw/zinc/92/49/07/368924907.db2.gz BQWATRQPHGQZCM-UWVGGRQHSA-N -1 3 237.299 2.598 20 0 BFADHM C[C@@H]1CC[C@H](C)CN1Cc1ccoc1C(=O)[O-] ZINC000088705720 368925120 /nfs/dbraw/zinc/92/51/20/368925120.db2.gz BQWATRQPHGQZCM-VHSXEESVSA-N -1 3 237.299 2.598 20 0 BFADHM CCC(C)(C)OCC(=O)Nc1ccccc1[O-] ZINC000457444227 203063911 /nfs/dbraw/zinc/06/39/11/203063911.db2.gz BDOWYCSDASVOJF-UHFFFAOYSA-N -1 3 237.299 2.536 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000458270876 203152121 /nfs/dbraw/zinc/15/21/21/203152121.db2.gz FNMHIFIMLQEWSV-KGYLQXTDSA-N -1 3 245.322 2.619 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000069693018 370976032 /nfs/dbraw/zinc/97/60/32/370976032.db2.gz QIFVNNOWBOQNFT-HTRCEHHLSA-N -1 3 225.675 2.640 20 0 BFADHM Cc1cc(C(=O)N[C@@]2(C)CC2(C)C)ccc1[O-] ZINC000620077068 369712956 /nfs/dbraw/zinc/71/29/56/369712956.db2.gz BZARBUOIPMLPOP-AWEZNQCLSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1C ZINC000621215429 370160423 /nfs/dbraw/zinc/16/04/23/370160423.db2.gz DMZWJKDMXNBIOF-UHFFFAOYSA-N -1 3 245.322 2.634 20 0 BFADHM CCc1ccc(C(=O)N2CC3CC2(C)C3)c([O-])c1 ZINC000621216547 370162290 /nfs/dbraw/zinc/16/22/90/370162290.db2.gz RDDDNBUJAWQFOS-UHFFFAOYSA-N -1 3 245.322 2.579 20 0 BFADHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1N ZINC000070216746 371016396 /nfs/dbraw/zinc/01/63/96/371016396.db2.gz CRPOIURQSLABEJ-UHFFFAOYSA-N -1 3 242.278 2.535 20 0 BFADHM O=C([N-]c1cnoc1)c1ccc(F)cc1Cl ZINC000623943490 371171963 /nfs/dbraw/zinc/17/19/63/371171963.db2.gz XEHMSUNALLHGTJ-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM CCC[C@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000624075185 371292268 /nfs/dbraw/zinc/29/22/68/371292268.db2.gz YSFZFRICUFZVKQ-NSHDSACASA-N -1 3 235.327 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000627835423 372049901 /nfs/dbraw/zinc/04/99/01/372049901.db2.gz QGDABISKBJRLSN-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000627976115 372171678 /nfs/dbraw/zinc/17/16/78/372171678.db2.gz RRABBTFPBOLQTD-IJLUTSLNSA-N -1 3 245.322 2.619 20 0 BFADHM O=C(NCCC1=CCCC1)c1cccc([O-])c1 ZINC000182895705 182151277 /nfs/dbraw/zinc/15/12/77/182151277.db2.gz GWVNVPUKDHFDGK-UHFFFAOYSA-N -1 3 231.295 2.622 20 0 BFADHM Cc1cc(C(=O)N[C@@]23C[C@@H]2CCCC3)ccc1[O-] ZINC000634094589 373962776 /nfs/dbraw/zinc/96/27/76/373962776.db2.gz NNOCHQWHTHYTJS-WFASDCNBSA-N -1 3 245.322 2.763 20 0 BFADHM CCCC(=O)Nc1ccc([O-])cc1Cl ZINC000070334077 374138135 /nfs/dbraw/zinc/13/81/35/374138135.db2.gz RYDWJUPXLGGQPU-UHFFFAOYSA-N -1 3 213.664 2.784 20 0 BFADHM Cc1c2occ([O-])c2ccc1OCC1CCC1 ZINC000634559690 374318567 /nfs/dbraw/zinc/31/85/67/374318567.db2.gz BXBNHJFDXPZMNG-UHFFFAOYSA-N -1 3 232.279 2.749 20 0 BFADHM O=C([N-]OCC1CC1)Nc1ccc(Cl)cc1 ZINC000292316277 182282464 /nfs/dbraw/zinc/28/24/64/182282464.db2.gz LXOJBZGWCRLFKF-UHFFFAOYSA-N -1 3 240.690 2.803 20 0 BFADHM O=C([N-]OCc1ccccc1)C(C1CC1)C1CC1 ZINC000163628440 182282703 /nfs/dbraw/zinc/28/27/03/182282703.db2.gz BHXLTQVMAPGGMA-UHFFFAOYSA-N -1 3 245.322 2.671 20 0 BFADHM O=C(N[C@@H]1CC12CCCCC2)c1cccc([O-])c1 ZINC000182979067 182289840 /nfs/dbraw/zinc/28/98/40/182289840.db2.gz DDSXLLBFCKJOEB-CYBMUJFWSA-N -1 3 245.322 2.845 20 0 BFADHM O=C(N[C@@H]1CC2CCC1CC2)c1cccc([O-])c1 ZINC000336794745 182290130 /nfs/dbraw/zinc/29/01/30/182290130.db2.gz FIYCSYHMEHYJSE-QIMFLAQGSA-N -1 3 245.322 2.701 20 0 BFADHM O=C([N-][C@@H]1CCCc2ccc(F)cc21)C(F)F ZINC000279880449 182299958 /nfs/dbraw/zinc/29/99/58/182299958.db2.gz XGKIWWHYENWQNB-SNVBAGLBSA-N -1 3 243.228 2.584 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC1(F)F ZINC000294912887 182348141 /nfs/dbraw/zinc/34/81/41/182348141.db2.gz SMMFIYAINOFUQR-ZCFIWIBFSA-N -1 3 247.628 2.639 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)C1=CCCCC1 ZINC000119137601 182360599 /nfs/dbraw/zinc/36/05/99/182360599.db2.gz FRHWWGIKWSNMNX-UHFFFAOYSA-N -1 3 235.258 2.970 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@@H]1C1CC1 ZINC000129599830 182371797 /nfs/dbraw/zinc/37/17/97/182371797.db2.gz WOJUSXRSILHTIS-BDAKNGLRSA-N -1 3 235.258 2.516 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)nc1 ZINC000057626145 182380498 /nfs/dbraw/zinc/38/04/98/182380498.db2.gz YOANOPMLRLJQQU-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=[S@@](Cc1ccccc1)c1ccc([O-])cc1 ZINC000108083829 182963957 /nfs/dbraw/zinc/96/39/57/182963957.db2.gz FLVKLLIEUPZMQS-MRXNPFEDSA-N -1 3 232.304 2.700 20 0 BFADHM CCCN(CC(C)C)C(=O)c1ccccc1[O-] ZINC000298445789 169106392 /nfs/dbraw/zinc/10/63/92/169106392.db2.gz OAYCUSRZKTWJPD-UHFFFAOYSA-N -1 3 235.327 2.900 20 0 BFADHM [O-]c1ccc(-c2noc([C@@H]3CCCCO3)n2)cc1 ZINC000050964214 183265701 /nfs/dbraw/zinc/26/57/01/183265701.db2.gz RQOLILVYQKGLRK-NSHDSACASA-N -1 3 246.266 2.684 20 0 BFADHM [O-]c1ccc(-c2noc(C[C@@H]3C=CCC3)n2)cc1 ZINC000264591199 183266389 /nfs/dbraw/zinc/26/63/89/183266389.db2.gz FOCFOCKIZUREOM-SNVBAGLBSA-N -1 3 242.278 2.951 20 0 BFADHM [O-]c1ccc(F)c(CN[C@@H]2CC=CCC2)c1F ZINC000293577864 183273559 /nfs/dbraw/zinc/27/35/59/183273559.db2.gz JNVJIXGNFYSQCD-SECBINFHSA-N -1 3 239.265 2.869 20 0 BFADHM [O-]c1ccc(F)c(CN2CCCCC2)c1F ZINC000294180302 183274077 /nfs/dbraw/zinc/27/40/77/183274077.db2.gz JRKUAEBINDTOSC-UHFFFAOYSA-N -1 3 227.254 2.656 20 0 BFADHM [O-]c1ccc(F)c(CN2CCC(F)(F)C2)c1F ZINC000334279094 183274113 /nfs/dbraw/zinc/27/41/13/183274113.db2.gz UUZFEYGRTYUCRJ-UHFFFAOYSA-N -1 3 249.207 2.511 20 0 BFADHM CCCN(CCC)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000297690637 169152703 /nfs/dbraw/zinc/15/27/03/169152703.db2.gz AHCUMWJRSGAAOV-LLVKDONJSA-N -1 3 237.347 2.674 20 0 BFADHM [O-]c1cc(CN2CC(F)C2)cc(C(F)(F)F)c1 ZINC000356416297 183256506 /nfs/dbraw/zinc/25/65/06/183256506.db2.gz DXWYWWMWRBZSQZ-UHFFFAOYSA-N -1 3 249.207 2.565 20 0 BFADHM [O-]c1cccc(CN2CCCC2)c1Cl ZINC000149753482 183290142 /nfs/dbraw/zinc/29/01/42/183290142.db2.gz AMIOJJLDINHQAN-UHFFFAOYSA-N -1 3 211.692 2.641 20 0 BFADHM [O-]c1cccc(CN[C@H]2CCSC2)c1Cl ZINC000328502059 183291257 /nfs/dbraw/zinc/29/12/57/183291257.db2.gz XVGDTVGOBFDPOQ-VIFPVBQESA-N -1 3 243.759 2.641 20 0 BFADHM S=c1ccc(-c2ccc3c(c2)OCCO3)n[n-]1 ZINC000041297196 183314474 /nfs/dbraw/zinc/31/44/74/183314474.db2.gz MXLHPHGJZRIPKC-UHFFFAOYSA-N -1 3 246.291 2.577 20 0 BFADHM c1coc(C[N-]c2nc(-c3ccccc3)no2)c1 ZINC000009726709 183384500 /nfs/dbraw/zinc/38/45/00/183384500.db2.gz IVJVOZVXUWWCPJ-UHFFFAOYSA-N -1 3 241.250 2.942 20 0 BFADHM CCCOC(=O)c1cc2ccsc2[n-]1 ZINC000049453516 169301018 /nfs/dbraw/zinc/30/10/18/169301018.db2.gz PQJFZAFIJLARGR-UHFFFAOYSA-N -1 3 209.270 2.796 20 0 BFADHM CCC[C@@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000035238960 169364388 /nfs/dbraw/zinc/36/43/88/169364388.db2.gz IGPAFLJDQXIVAD-LLVKDONJSA-N -1 3 235.327 2.961 20 0 BFADHM O=C(CC[C@@H]1CCCCO1)Nc1ccccc1[O-] ZINC000111546516 383870492 /nfs/dbraw/zinc/87/04/92/383870492.db2.gz XIMQOPBCWGYHGE-NSHDSACASA-N -1 3 249.310 2.680 20 0 BFADHM CCO[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070273348 383907909 /nfs/dbraw/zinc/90/79/09/383907909.db2.gz KZJBOYBYMGJVGU-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM CO[N-]C(=O)CCCCCc1cccs1 ZINC000067135806 383910595 /nfs/dbraw/zinc/91/05/95/383910595.db2.gz HKLRYINYIDMDCZ-UHFFFAOYSA-N -1 3 227.329 2.529 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(C)C)c1 ZINC000088845510 383923063 /nfs/dbraw/zinc/92/30/63/383923063.db2.gz ISUHOEZVOMZCGY-CYBMUJFWSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H](NCCCC(=O)[O-])c1ccccc1Cl ZINC000037417670 383973647 /nfs/dbraw/zinc/97/36/47/383973647.db2.gz CWAZZDOKWHGGIT-VIFPVBQESA-N -1 3 241.718 2.855 20 0 BFADHM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2)[C@H]1C ZINC000050566611 384083979 /nfs/dbraw/zinc/08/39/79/384083979.db2.gz DSCIXLNOTYOPTE-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM CCN(CC1CCC1)C(=O)c1ccc(C)cc1[O-] ZINC000230319088 259646844 /nfs/dbraw/zinc/64/68/44/259646844.db2.gz DVMXXLZZRQXYOB-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133057296 384270547 /nfs/dbraw/zinc/27/05/47/384270547.db2.gz MWPLRCDAUQHSNW-UHFFFAOYSA-N -1 3 239.290 2.728 20 0 BFADHM Cc1cc([C@@H](C)N2CCCCC2)oc1C(=O)[O-] ZINC000564576840 384353970 /nfs/dbraw/zinc/35/39/70/384353970.db2.gz MMYSXRBFVJXUOI-SNVBAGLBSA-N -1 3 237.299 2.833 20 0 BFADHM O=C(CCCc1ccccc1)[N-]OC1CCCC1 ZINC000135138275 384414048 /nfs/dbraw/zinc/41/40/48/384414048.db2.gz DPUVXMRNBSPGDS-UHFFFAOYSA-N -1 3 247.338 3.000 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC000148888160 384464568 /nfs/dbraw/zinc/46/45/68/384464568.db2.gz VZZGGFVBTGATRQ-VXGBXAGGSA-N -1 3 245.322 2.573 20 0 BFADHM CC(C)CON=C([O-])Nc1ccc(F)cc1F ZINC000123345502 384550122 /nfs/dbraw/zinc/55/01/22/384550122.db2.gz SWJOEZNXPCBDQH-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1ccc(F)cc1F ZINC000123345502 384550129 /nfs/dbraw/zinc/55/01/29/384550129.db2.gz SWJOEZNXPCBDQH-UHFFFAOYSA-N -1 3 244.241 2.674 20 0 BFADHM CC(C)CSc1n[n-]c(-c2ccccn2)n1 ZINC000172161920 384540177 /nfs/dbraw/zinc/54/01/77/384540177.db2.gz KFRFMIFFSBLSJD-UHFFFAOYSA-N -1 3 234.328 2.615 20 0 BFADHM C[C@@H](NCc1cccc([O-])c1Cl)C1CC1 ZINC000294074831 384588904 /nfs/dbraw/zinc/58/89/04/384588904.db2.gz KWVYJFNLBOBCLC-MRVPVSSYSA-N -1 3 225.719 2.934 20 0 BFADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccccc1[O-] ZINC000124655723 384664678 /nfs/dbraw/zinc/66/46/78/384664678.db2.gz KCWATJOQGFOSFF-MNOVXSKESA-N -1 3 233.311 2.795 20 0 BFADHM CCO[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103066687 384745152 /nfs/dbraw/zinc/74/51/52/384745152.db2.gz OSOKVVACBCSECX-CYBMUJFWSA-N -1 3 235.327 2.884 20 0 BFADHM Cc1ccc(CNCc2nc(C)ccc2[O-])cc1 ZINC000103340787 384763448 /nfs/dbraw/zinc/76/34/48/384763448.db2.gz XOLVRIAEYPCEEP-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM Cc1ccc(C(=O)Nc2cncc(C)c2)c([O-])c1 ZINC000176725284 384764798 /nfs/dbraw/zinc/76/47/98/384764798.db2.gz UTSKYSMVNWXDSP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cncc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000176726819 384766085 /nfs/dbraw/zinc/76/60/85/384766085.db2.gz PLYUIANLBVPFLR-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000061804104 384790517 /nfs/dbraw/zinc/79/05/17/384790517.db2.gz PMMIIKYZVZGFSE-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM COC1(C(=O)Nc2ccccc2[O-])CCCCC1 ZINC000186013023 384810465 /nfs/dbraw/zinc/81/04/65/384810465.db2.gz GSJXJXLYJCUNSZ-UHFFFAOYSA-N -1 3 249.310 2.680 20 0 BFADHM O=C(/C=C\c1cccc(F)c1)[N-]OC1CCCC1 ZINC000310578420 384882907 /nfs/dbraw/zinc/88/29/07/384882907.db2.gz LJIOAIGANSYKJM-HJWRWDBZSA-N -1 3 249.285 2.829 20 0 BFADHM CCC[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000536461830 384853898 /nfs/dbraw/zinc/85/38/98/384853898.db2.gz BJTPGCSJZPQGHU-MRVPVSSYSA-N -1 3 225.263 2.906 20 0 BFADHM C[C@@H](F)CCN=c1[n-]c(C(F)(F)F)cs1 ZINC000338748374 384938458 /nfs/dbraw/zinc/93/84/58/384938458.db2.gz GHYKZEDGYCUGRL-RXMQYKEDSA-N -1 3 242.241 2.744 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CC=CCC2)c1[O-] ZINC000530719716 385022340 /nfs/dbraw/zinc/02/23/40/385022340.db2.gz XCKIMHPIQGWTRK-GFCCVEGCSA-N -1 3 245.322 2.793 20 0 BFADHM CCc1ccc(C(=O)N2CCC(C)(C)C2)c([O-])c1 ZINC000187910181 384995592 /nfs/dbraw/zinc/99/55/92/384995592.db2.gz RZAUFYDIWSGCOG-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM Cc1cc(C(=O)NCc2ccsc2)ccc1[O-] ZINC000226716559 385044610 /nfs/dbraw/zinc/04/46/10/385044610.db2.gz UGHPDEIPKHVCNI-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM COc1ccc([O-])c(-c2nc(C(C)(C)C)no2)c1 ZINC000109036903 385131894 /nfs/dbraw/zinc/13/18/94/385131894.db2.gz XWGMADVFTKZSGI-UHFFFAOYSA-N -1 3 248.282 2.748 20 0 BFADHM CC[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000189220642 385137504 /nfs/dbraw/zinc/13/75/04/385137504.db2.gz SHFHQQAQIGGHNU-SECBINFHSA-N -1 3 207.273 2.767 20 0 BFADHM CC[C@H]1CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000131537576 385341847 /nfs/dbraw/zinc/34/18/47/385341847.db2.gz MOPUQFCTASAMST-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM CCC[C@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000360769881 385389691 /nfs/dbraw/zinc/38/96/91/385389691.db2.gz SAYTYZJQCAWKTC-WCBMZHEXSA-N -1 3 237.274 2.906 20 0 BFADHM CCCCN(CC)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192526495 385359740 /nfs/dbraw/zinc/35/97/40/385359740.db2.gz LBRXIJVWPVGBGW-NSHDSACASA-N -1 3 237.347 2.674 20 0 BFADHM CSC[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179552951 385472587 /nfs/dbraw/zinc/47/25/87/385472587.db2.gz NJCMTKGTKZLKCI-VIFPVBQESA-N -1 3 239.340 2.638 20 0 BFADHM CCCO[N-]C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 ZINC000493108919 385519407 /nfs/dbraw/zinc/51/94/07/385519407.db2.gz UHSUSZWDDVRONR-NPNFKUNOSA-N -1 3 249.310 2.874 20 0 BFADHM CC1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000123829560 385573454 /nfs/dbraw/zinc/57/34/54/385573454.db2.gz GLIDWKRSALIKFI-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM CC(C)CO[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000269649237 385619106 /nfs/dbraw/zinc/61/91/06/385619106.db2.gz DOBIJBKNIDPKSV-UHFFFAOYSA-N -1 3 249.354 2.959 20 0 BFADHM CCc1ccc(C[N-]c2nc(C(C)C)no2)o1 ZINC000181858721 385610726 /nfs/dbraw/zinc/61/07/26/385610726.db2.gz TVKGLJLYFBPGOB-UHFFFAOYSA-N -1 3 235.287 2.961 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000182324522 385656293 /nfs/dbraw/zinc/65/62/93/385656293.db2.gz ITTPVNWQGWJETN-CQSZACIVSA-N -1 3 245.322 2.797 20 0 BFADHM Cc1ccc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000340101327 385683928 /nfs/dbraw/zinc/68/39/28/385683928.db2.gz FSWNJMCJLBMQOX-UHFFFAOYSA-N -1 3 245.278 2.865 20 0 BFADHM O=C(/C=C/C1CC1)Nc1ccc(Cl)cc1[O-] ZINC000270367172 385701859 /nfs/dbraw/zinc/70/18/59/385701859.db2.gz KSPKBJPXDUUQRH-ZZXKWVIFSA-N -1 3 237.686 2.950 20 0 BFADHM C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)[C@H]1C ZINC000294016847 385786453 /nfs/dbraw/zinc/78/64/53/385786453.db2.gz IXGPXPQOLYPNQW-SFYZADRCSA-N -1 3 239.702 2.526 20 0 BFADHM C/C=C(\C)C(=O)N1CCCc2cccc([O-])c21 ZINC000182927471 385722646 /nfs/dbraw/zinc/72/26/46/385722646.db2.gz VJQKPZJAIKWBPN-XCVCLJGOSA-N -1 3 231.295 2.638 20 0 BFADHM Cc1ccc(NC(=O)CC2CCC2)c([O-])c1 ZINC000231659211 385811284 /nfs/dbraw/zinc/81/12/84/385811284.db2.gz NBAKCAYAYBYQDI-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM CSc1ccc(C(=O)[N-]c2cc(C)on2)o1 ZINC000112270014 385837695 /nfs/dbraw/zinc/83/76/95/385837695.db2.gz CSWOMWWAKPGSPT-UHFFFAOYSA-N -1 3 238.268 2.550 20 0 BFADHM CCC1(C(=O)Nc2ccccc2[O-])CCOCC1 ZINC000272197905 385882713 /nfs/dbraw/zinc/88/27/13/385882713.db2.gz NVPVSZDHIHALED-UHFFFAOYSA-N -1 3 249.310 2.538 20 0 BFADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CC1(F)F ZINC000335019099 385977129 /nfs/dbraw/zinc/97/71/29/385977129.db2.gz ZQPQQOKHCUBXHJ-JTQLQIEISA-N -1 3 245.200 2.515 20 0 BFADHM CC(C)(C)c1nc(C=Cc2cocn2)cc(=O)[n-]1 ZINC000414078344 385950808 /nfs/dbraw/zinc/95/08/08/385950808.db2.gz QVYFAGKEJUWJAZ-SNAWJCMRSA-N -1 3 245.282 2.638 20 0 BFADHM CC(F)(F)C(=O)[N-]C1(c2ccccc2F)CC1 ZINC000295095324 385962600 /nfs/dbraw/zinc/96/26/00/385962600.db2.gz VHHHBYFVUOSMLM-UHFFFAOYSA-N -1 3 243.228 2.586 20 0 BFADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])CC1(F)F ZINC000335016664 385973136 /nfs/dbraw/zinc/97/31/36/385973136.db2.gz FOKWNVAGYKFSDX-SNVBAGLBSA-N -1 3 245.200 2.515 20 0 BFADHM CCCn1c(=O)[n-]nc1S[C@@H]1CC[C@@H](C)C1 ZINC000338519131 386034795 /nfs/dbraw/zinc/03/47/95/386034795.db2.gz FQECTSWTTPHSER-RKDXNWHRSA-N -1 3 241.360 2.674 20 0 BFADHM CCC[C@@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000295970802 386113533 /nfs/dbraw/zinc/11/35/33/386113533.db2.gz QGXGTPLXGYJXFI-LLVKDONJSA-N -1 3 248.282 2.930 20 0 BFADHM CC(F)(F)CC[S@@](=O)c1ccc([O-])cc1 ZINC000414224142 386074699 /nfs/dbraw/zinc/07/46/99/386074699.db2.gz AEYIZPQOSHDGNP-OAHLLOKOSA-N -1 3 234.267 2.545 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CC=CC[C@H]2C)n1 ZINC000355489587 386152202 /nfs/dbraw/zinc/15/22/02/386152202.db2.gz HQRLMXIRQWFBQQ-KOLCDFICSA-N -1 3 246.310 2.636 20 0 BFADHM CC(C)c1noc(Cc2ccc([O-])c(F)c2)n1 ZINC000335159967 386155703 /nfs/dbraw/zinc/15/57/03/386155703.db2.gz RMWKZWNSCIXKKA-UHFFFAOYSA-N -1 3 236.246 2.629 20 0 BFADHM CCc1ccc(C(=O)NOC2CCCC2)c([O-])c1 ZINC000276332363 386305722 /nfs/dbraw/zinc/30/57/22/386305722.db2.gz HBYZCPMWEZDHGD-UHFFFAOYSA-N -1 3 249.310 2.559 20 0 BFADHM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227022247 386448654 /nfs/dbraw/zinc/44/86/54/386448654.db2.gz CNXPWQFRVMDWCO-KOLCDFICSA-N -1 3 235.327 2.865 20 0 BFADHM COC(=O)c1cn[n-]c1-c1cc2ccccc2o1 ZINC000187134733 386450382 /nfs/dbraw/zinc/45/03/82/386450382.db2.gz SEEJYRUFARLVEY-UHFFFAOYSA-N -1 3 242.234 2.610 20 0 BFADHM COC(=O)c1c[n-]nc1-c1cc2ccccc2o1 ZINC000187134733 386450391 /nfs/dbraw/zinc/45/03/91/386450391.db2.gz SEEJYRUFARLVEY-UHFFFAOYSA-N -1 3 242.234 2.610 20 0 BFADHM Cc1cc(C(=O)NCCC2=CCCC2)ccc1[O-] ZINC000227041984 386451135 /nfs/dbraw/zinc/45/11/35/386451135.db2.gz NYDJKYPQKBMLIH-UHFFFAOYSA-N -1 3 245.322 2.931 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)ccc1[O-] ZINC000227036900 386451196 /nfs/dbraw/zinc/45/11/96/386451196.db2.gz DYACDSZFJYDKBL-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C)ccc1[O-] ZINC000227034502 386451254 /nfs/dbraw/zinc/45/12/54/386451254.db2.gz FGEJYHZSBZUZPD-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000290969404 386494676 /nfs/dbraw/zinc/49/46/76/386494676.db2.gz SILUJWVRCVNVLL-LBPRGKRZSA-N -1 3 245.322 2.654 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)ccc1[O-] ZINC000227052180 386455206 /nfs/dbraw/zinc/45/52/06/386455206.db2.gz CFVXGLWPMHGDRL-CMPLNLGQSA-N -1 3 247.338 2.819 20 0 BFADHM CC(C)c1ccc(C(=O)NCC(F)F)c([O-])c1 ZINC000267823415 386589097 /nfs/dbraw/zinc/58/90/97/386589097.db2.gz INYIEMXFBAZXBG-UHFFFAOYSA-N -1 3 243.253 2.511 20 0 BFADHM CCC[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000291433089 386545968 /nfs/dbraw/zinc/54/59/68/386545968.db2.gz AOQJNIDNRDARHU-DNQSNQRASA-N -1 3 219.712 2.613 20 0 BFADHM CCc1cc(C(=O)N2CCCC[C@@H]2C)ccc1[O-] ZINC000291466443 386549910 /nfs/dbraw/zinc/54/99/10/386549910.db2.gz OJQQHOPMIQFUIV-NSHDSACASA-N -1 3 247.338 2.969 20 0 BFADHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(C)ccc1[O-] ZINC000187397445 386550199 /nfs/dbraw/zinc/55/01/99/386550199.db2.gz FYKONAZJNUJVFE-YPMHNXCESA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cccc([O-])c1 ZINC000457228872 386550979 /nfs/dbraw/zinc/55/09/79/386550979.db2.gz HDQIKWHEWYJTBM-HIFRSBDPSA-N -1 3 247.338 2.947 20 0 BFADHM CCc1cc(C(=O)NC2CCCC2)ccc1[O-] ZINC000291514335 386554510 /nfs/dbraw/zinc/55/45/10/386554510.db2.gz XZZYMAPQQBBCCP-UHFFFAOYSA-N -1 3 233.311 2.627 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(F)c1 ZINC000291976819 386605409 /nfs/dbraw/zinc/60/54/09/386605409.db2.gz YESJWRVQTVUFNE-SECBINFHSA-N -1 3 240.278 2.925 20 0 BFADHM CCC[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000248253444 386749570 /nfs/dbraw/zinc/74/95/70/386749570.db2.gz JVWXOZFPHAAJAB-VIFPVBQESA-N -1 3 207.273 2.767 20 0 BFADHM CC[C@@H](C)N(OC)C(=O)c1cccc(C)c1[O-] ZINC000269133675 386753815 /nfs/dbraw/zinc/75/38/15/386753815.db2.gz MCNUYONBQFIAQY-SNVBAGLBSA-N -1 3 237.299 2.503 20 0 BFADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000357427907 386782390 /nfs/dbraw/zinc/78/23/90/386782390.db2.gz GAGPJJJTBKUNLP-GFCCVEGCSA-N -1 3 235.327 2.947 20 0 BFADHM C[C@]1(NC(=O)c2ccccc2[O-])CC=CCC1 ZINC000398387815 386817818 /nfs/dbraw/zinc/81/78/18/386817818.db2.gz PVHDLOGXSZSUSR-AWEZNQCLSA-N -1 3 231.295 2.621 20 0 BFADHM CSCCCNCc1c(F)ccc([O-])c1F ZINC000293634675 386850997 /nfs/dbraw/zinc/85/09/97/386850997.db2.gz NKCGGEHLGGGGGO-UHFFFAOYSA-N -1 3 247.310 2.513 20 0 BFADHM C[C@@H](CC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC000358111223 386892294 /nfs/dbraw/zinc/89/22/94/386892294.db2.gz MANWSMRKPKKQBS-VIFPVBQESA-N -1 3 236.315 2.798 20 0 BFADHM CCc1cc(C(=O)Nc2cccnc2)ccc1[O-] ZINC000335753195 386880789 /nfs/dbraw/zinc/88/07/89/386880789.db2.gz IGZSNVMVIIZTHB-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM C[C@@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293795506 386882834 /nfs/dbraw/zinc/88/28/34/386882834.db2.gz OZPJZRZPIIPDOF-NSHDSACASA-N -1 3 233.311 2.638 20 0 BFADHM C[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000335772743 386919461 /nfs/dbraw/zinc/91/94/61/386919461.db2.gz KUTUEAXOUBXXMZ-DTWKUNHWSA-N -1 3 237.274 2.906 20 0 BFADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(OC)cc1[O-] ZINC000332012960 386939959 /nfs/dbraw/zinc/93/99/59/386939959.db2.gz UELUTUKDSGLHKY-IINYFYTJSA-N -1 3 249.310 2.776 20 0 BFADHM Cc1cscc1CNC(=O)c1ccccc1[O-] ZINC000094879079 386966154 /nfs/dbraw/zinc/96/61/54/386966154.db2.gz DJSOLXZWQCEYDT-UHFFFAOYSA-N -1 3 247.319 2.692 20 0 BFADHM CCC[C@@](C)(CC)C(=O)Nc1ncccc1[O-] ZINC000331056882 386951300 /nfs/dbraw/zinc/95/13/00/386951300.db2.gz LLVYVXNLOYSMEN-CYBMUJFWSA-N -1 3 236.315 2.942 20 0 BFADHM [O-]c1cc(F)cc(CNCc2cccc(O)c2)c1 ZINC000185507266 387054156 /nfs/dbraw/zinc/05/41/56/387054156.db2.gz PAZAHZPWNGLGAF-UHFFFAOYSA-N -1 3 247.269 2.527 20 0 BFADHM CC(C)(C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000336100450 387014525 /nfs/dbraw/zinc/01/45/25/387014525.db2.gz ODNGWHLSNWXCMQ-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM CCc1cc(C(=O)N2CC[C@H]2C(C)C)ccc1[O-] ZINC000335003260 387097465 /nfs/dbraw/zinc/09/74/65/387097465.db2.gz QBTNOMMLYMXWSQ-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000069741621 387118231 /nfs/dbraw/zinc/11/82/31/387118231.db2.gz GZTPCGAEMGHFRD-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)C1CC1 ZINC000336381986 387214347 /nfs/dbraw/zinc/21/43/47/387214347.db2.gz YMWTZDAQCQPQAZ-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM CC(C)=CCSCc1ncccc1[O-] ZINC000514734855 387282614 /nfs/dbraw/zinc/28/26/14/387282614.db2.gz OOHPFOAKNBVSLR-UHFFFAOYSA-N -1 3 209.314 2.987 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CC2(C)C)c1 ZINC000336473808 387302792 /nfs/dbraw/zinc/30/27/92/387302792.db2.gz UXAHSYGKMPUXJA-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])ns1 ZINC000336492364 387318767 /nfs/dbraw/zinc/31/87/67/387318767.db2.gz IFIZSFYMLFYVNX-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CCC2(C)C)ccc1[O-] ZINC000287069061 387361634 /nfs/dbraw/zinc/36/16/34/387361634.db2.gz KAGAORWHUSBBQZ-LBPRGKRZSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H]1C[C@H]1CC(=O)Nc1cc(F)ccc1[O-] ZINC000336514103 387337364 /nfs/dbraw/zinc/33/73/64/387337364.db2.gz AJFIEHPYIRZBAN-SFYZADRCSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H](C)CC(C)C)n1 ZINC000361343798 387442477 /nfs/dbraw/zinc/44/24/77/387442477.db2.gz KZRIQNWEQVUULZ-SECBINFHSA-N -1 3 236.315 2.716 20 0 BFADHM Cc1conc1[N-]C(=O)c1cc(F)ccc1F ZINC000123529663 387585988 /nfs/dbraw/zinc/58/59/88/387585988.db2.gz DPJMZZVTDWCQRZ-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000397156488 387548291 /nfs/dbraw/zinc/54/82/91/387548291.db2.gz OPCAHBXMHPLBHX-JSGCOSHPSA-N -1 3 233.311 2.557 20 0 BFADHM CC[C@@H]1CCCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000035238858 387560480 /nfs/dbraw/zinc/56/04/80/387560480.db2.gz SUXFJYDQBAPAFR-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM CC1=C[C@@H](C)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000430876792 387656957 /nfs/dbraw/zinc/65/69/57/387656957.db2.gz SPDMVFLMVIBLMF-SNVBAGLBSA-N -1 3 235.302 2.929 20 0 BFADHM CCc1cc(C(=O)NC[C@H]2CC2(C)C)ccc1[O-] ZINC000362797650 387660160 /nfs/dbraw/zinc/66/01/60/387660160.db2.gz LSSQEFKNSLEEAG-GFCCVEGCSA-N -1 3 247.338 2.731 20 0 BFADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000356733857 387710570 /nfs/dbraw/zinc/71/05/70/387710570.db2.gz UNHKVKPHFCTVBP-WDEREUQCSA-N -1 3 248.326 2.942 20 0 BFADHM CC(C)CCCS(=O)(=O)c1cccc([O-])c1 ZINC000431584152 387719611 /nfs/dbraw/zinc/71/96/11/387719611.db2.gz AOYSWCBJBRWNEV-UHFFFAOYSA-N -1 3 242.340 2.602 20 0 BFADHM CC1(C)CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000162798175 387774880 /nfs/dbraw/zinc/77/48/80/387774880.db2.gz WWIGLWZGQDEPRV-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)c([O-])c1C ZINC000437000388 387910855 /nfs/dbraw/zinc/91/08/55/387910855.db2.gz NLFROWXGHZBMBZ-QWHCGFSZSA-N -1 3 245.322 2.537 20 0 BFADHM CC[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC000438419628 387935540 /nfs/dbraw/zinc/93/55/40/387935540.db2.gz LOLTWEZIRNQYEV-XYPYZODXSA-N -1 3 248.326 2.942 20 0 BFADHM CC/C=C\CNCc1c(F)ccc([O-])c1F ZINC000449457502 388211274 /nfs/dbraw/zinc/21/12/74/388211274.db2.gz NYURRDHAJXDLEP-ARJAWSKDSA-N -1 3 227.254 2.726 20 0 BFADHM O=C(/C=C\c1ccc[nH]1)Nc1ccc([O-])cc1F ZINC000491966920 388329989 /nfs/dbraw/zinc/32/99/89/388329989.db2.gz WYPHJTKPSOBRCF-UTCJRWHESA-N -1 3 246.241 2.511 20 0 BFADHM O=C(/C=C/C1CCC1)Nc1ccccc1[O-] ZINC000492305769 388341109 /nfs/dbraw/zinc/34/11/09/388341109.db2.gz XPCWQHFUPVNNQQ-CMDGGOBGSA-N -1 3 217.268 2.687 20 0 BFADHM O=C(/C=C\c1ccsc1)[N-]OC1CCCC1 ZINC000492326993 388341671 /nfs/dbraw/zinc/34/16/71/388341671.db2.gz YJTIYGCHQXUDME-WAYWQWQTSA-N -1 3 237.324 2.752 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1[O-] ZINC000226713986 388354299 /nfs/dbraw/zinc/35/42/99/388354299.db2.gz LKAPAWFEKBXUTN-SNVBAGLBSA-N -1 3 233.311 2.573 20 0 BFADHM CCN(C)Cc1cc([O-])ccc1Br ZINC000132548459 388361587 /nfs/dbraw/zinc/36/15/87/388361587.db2.gz JHFLQWXWALJLEV-UHFFFAOYSA-N -1 3 244.132 2.606 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C(C)C)C2)n1 ZINC000572929140 388389049 /nfs/dbraw/zinc/38/90/49/388389049.db2.gz MAOLLIPDFYJYCL-NEPJUHHUSA-N -1 3 249.358 2.530 20 0 BFADHM CC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000294331053 388399425 /nfs/dbraw/zinc/39/94/25/388399425.db2.gz YPJQTGUAFCIDNF-MRVPVSSYSA-N -1 3 213.708 2.934 20 0 BFADHM CN(C[C@@H]1CC=CCC1)C(=O)c1cccc([O-])c1 ZINC000335671699 388454330 /nfs/dbraw/zinc/45/43/30/388454330.db2.gz PLYARISOKUJRHY-GFCCVEGCSA-N -1 3 245.322 2.821 20 0 BFADHM C[C@H]1CCCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000573097178 388420107 /nfs/dbraw/zinc/42/01/07/388420107.db2.gz HVUYJWGJBXJAKS-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM C[C@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000175024371 388430569 /nfs/dbraw/zinc/43/05/69/388430569.db2.gz WTJFKWOVYUXNFA-UWVGGRQHSA-N -1 3 234.299 2.552 20 0 BFADHM CC(C)=CCCNC(=O)c1ccc(C)cc1[O-] ZINC000397754797 388496321 /nfs/dbraw/zinc/49/63/21/388496321.db2.gz NRTRMSZMHVSAAS-UHFFFAOYSA-N -1 3 233.311 2.787 20 0 BFADHM CC(C)C(C)(C)CNC(=O)c1ccccc1[O-] ZINC000219055296 388587474 /nfs/dbraw/zinc/58/74/74/388587474.db2.gz IYEKKXBLLCVTKB-UHFFFAOYSA-N -1 3 235.327 2.804 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC=CCC2)c1 ZINC000080110332 388552586 /nfs/dbraw/zinc/55/25/86/388552586.db2.gz DUOKIMODWVHSBT-NSHDSACASA-N -1 3 231.295 2.539 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)CC(C)C)c([O-])c1 ZINC000037265431 388625398 /nfs/dbraw/zinc/62/53/98/388625398.db2.gz RSGIUUMFLNLYGG-LLVKDONJSA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cc(CNCc2ncccc2[O-])c(C)s1 ZINC000530278284 388646754 /nfs/dbraw/zinc/64/67/54/388646754.db2.gz RFGALOZURAYIRK-UHFFFAOYSA-N -1 3 248.351 2.755 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C(C)C)C2)ccc1[O-] ZINC000227038930 388738213 /nfs/dbraw/zinc/73/82/13/388738213.db2.gz XQIKUKPCANGEKA-ZDUSSCGKSA-N -1 3 247.338 2.819 20 0 BFADHM CCC[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000019838074 388749746 /nfs/dbraw/zinc/74/97/46/388749746.db2.gz DKFDMOCDIRGAAH-JTQLQIEISA-N -1 3 221.300 2.619 20 0 BFADHM CC(C)(C)C(C)(C)C[N-]C(=O)C(F)(F)F ZINC000258897709 388717878 /nfs/dbraw/zinc/71/78/78/388717878.db2.gz ZNOJYTSJIQIXHN-UHFFFAOYSA-N -1 3 225.254 2.737 20 0 BFADHM O=c1cc(C=Cc2cncs2)nc(C2CC2)[n-]1 ZINC000554390336 388813220 /nfs/dbraw/zinc/81/32/20/388813220.db2.gz GBMRLFDFVQRZSX-ARJAWSKDSA-N -1 3 245.307 2.687 20 0 BFADHM CC[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000129282151 388829026 /nfs/dbraw/zinc/82/90/26/388829026.db2.gz YNRSCBUDFPYLBP-ZETCQYMHSA-N -1 3 211.236 2.516 20 0 BFADHM O=C(CCc1ccoc1)Nc1cccc([O-])c1F ZINC000129600651 388856395 /nfs/dbraw/zinc/85/63/95/388856395.db2.gz AWACJTJZWGRLTH-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@H]1C[C@H]1C1CC1 ZINC000129600221 388856766 /nfs/dbraw/zinc/85/67/66/388856766.db2.gz WOJUSXRSILHTIS-IUCAKERBSA-N -1 3 235.258 2.516 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@@H](CC)C2)c1[O-] ZINC000153162567 388946136 /nfs/dbraw/zinc/94/61/36/388946136.db2.gz QBUINRIRMITBJM-LLVKDONJSA-N -1 3 247.338 2.827 20 0 BFADHM O=C(Nc1ccc(Cl)cc1[O-])c1ccoc1 ZINC000153463254 388975240 /nfs/dbraw/zinc/97/52/40/388975240.db2.gz MFLSTEAQUWHKLX-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM CCC1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000267411922 389000824 /nfs/dbraw/zinc/00/08/24/389000824.db2.gz VDCUSWQHLPROND-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM CCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000112641087 168243269 /nfs/dbraw/zinc/24/32/69/168243269.db2.gz FTYDJCLEARLWME-UHFFFAOYSA-N -1 3 213.664 2.703 20 0 BFADHM CC(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000063063747 132388678 /nfs/dbraw/zinc/38/86/78/132388678.db2.gz XQXWZOZFKDMKPR-UHFFFAOYSA-N -1 3 233.311 2.718 20 0 BFADHM CCCC1(C(=O)N=c2[nH][n-]c(CC)c2C)CCC1 ZINC000331758356 134001519 /nfs/dbraw/zinc/00/15/19/134001519.db2.gz IIAWVKJDSSYFAY-UHFFFAOYSA-N -1 3 249.358 2.611 20 0 BFADHM O=C(Nc1ccccc1[O-])c1cc[nH]c1C1CC1 ZINC000335931897 134011083 /nfs/dbraw/zinc/01/10/83/134011083.db2.gz WGLRUUGQSYRYFR-UHFFFAOYSA-N -1 3 242.278 2.850 20 0 BFADHM Cc1ccc(NC(=O)c2cccc(N)c2)c([O-])c1 ZINC000335943482 134018790 /nfs/dbraw/zinc/01/87/90/134018790.db2.gz IAZGRHSAGSNTPS-UHFFFAOYSA-N -1 3 242.278 2.535 20 0 BFADHM O=c1cc(C=Cc2cccnc2)nc(C2CC2)[n-]1 ZINC000352022129 134037353 /nfs/dbraw/zinc/03/73/53/134037353.db2.gz VKADFMLEEDFXLW-ZZXKWVIFSA-N -1 3 239.278 2.625 20 0 BFADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000336016261 134053392 /nfs/dbraw/zinc/05/33/92/134053392.db2.gz RZUUYOXJOGLYHE-HTQZYQBOSA-N -1 3 223.247 2.516 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]2C)c1 ZINC000336065346 134070383 /nfs/dbraw/zinc/07/03/83/134070383.db2.gz JXOPXHRWKUMGIN-NXEZZACHSA-N -1 3 233.311 2.578 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H]2C(C)C)c1[O-] ZINC000336144032 134101545 /nfs/dbraw/zinc/10/15/45/134101545.db2.gz CEIWLHLFNLCSTQ-LBPRGKRZSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1noc(C)c1NC(=O)c1ccc(C)cc1[O-] ZINC000336158036 134106766 /nfs/dbraw/zinc/10/67/66/134106766.db2.gz HGZMHIJSNDZZLX-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC2(CCCC2)C1 ZINC000174851486 134284785 /nfs/dbraw/zinc/28/47/85/134284785.db2.gz BLLJQRUBTOAWEU-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM O=C(CCc1ccoc1)Nc1ccc([O-])cc1F ZINC000180856265 134331747 /nfs/dbraw/zinc/33/17/47/134331747.db2.gz CRIATKHUNRGFAE-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM CSCCCC(=O)Nc1c(C)cccc1[O-] ZINC000183016130 134350154 /nfs/dbraw/zinc/35/01/54/134350154.db2.gz DYTKIUGBWQCLLQ-UHFFFAOYSA-N -1 3 239.340 2.782 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@@H]1C1CC1 ZINC000183285476 134352551 /nfs/dbraw/zinc/35/25/51/134352551.db2.gz VVWKZGLISCQNKB-ZJUUUORDSA-N -1 3 235.258 2.516 20 0 BFADHM Cc1ccncc1NCc1cc([O-])cc(F)c1 ZINC000184142660 134359223 /nfs/dbraw/zinc/35/92/23/134359223.db2.gz FMQICFCKLNGDMP-UHFFFAOYSA-N -1 3 232.258 2.847 20 0 BFADHM C[C@@H]1CC[C@H](NC(=O)c2cccc([O-])c2)[C@@H](C)C1 ZINC000226204444 134361707 /nfs/dbraw/zinc/36/17/07/134361707.db2.gz IIANKBOXVYIRCY-SUNKGSAMSA-N -1 3 247.338 2.947 20 0 BFADHM Cc1csc(NC(=O)c2ccc([O-])c(C)c2)n1 ZINC000226715029 134371013 /nfs/dbraw/zinc/37/10/13/134371013.db2.gz FWJJYPPJODFXGR-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000226954382 134371131 /nfs/dbraw/zinc/37/11/31/134371131.db2.gz RCJLFYVLIVMJNS-JTQLQIEISA-N -1 3 249.310 2.503 20 0 BFADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)ccc1[O-] ZINC000226996421 134371205 /nfs/dbraw/zinc/37/12/05/134371205.db2.gz LHEVJAMLCIZTPQ-CABZTGNLSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@H]1CC[C@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000230428716 134503329 /nfs/dbraw/zinc/50/33/29/134503329.db2.gz YCJXEFFJKSLLOA-QWRGUYRKSA-N -1 3 233.311 2.558 20 0 BFADHM C[C@H]1CCC[C@H]1CNC(=O)c1cccc([O-])c1 ZINC000230687917 134522751 /nfs/dbraw/zinc/52/27/51/134522751.db2.gz YGWDNYUMSANOBP-JQWIXIFHSA-N -1 3 233.311 2.558 20 0 BFADHM COc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000078779849 135150893 /nfs/dbraw/zinc/15/08/93/135150893.db2.gz LIIKSWQKIXNRCA-UHFFFAOYSA-N -1 3 244.294 2.716 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)C2CCCC2)c1 ZINC000334301737 135347041 /nfs/dbraw/zinc/34/70/41/135347041.db2.gz YHUHJHUWLLQLJZ-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CC1=CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263335879 135347573 /nfs/dbraw/zinc/34/75/73/135347573.db2.gz NJCKWZNHHKSVNR-UHFFFAOYSA-N -1 3 231.295 2.537 20 0 BFADHM C[C@@H](C(=O)[O-])N(C)Cc1cc2ccccc2s1 ZINC000263425140 135356971 /nfs/dbraw/zinc/35/69/71/135356971.db2.gz QGBGXRTZWIZFQI-VIFPVBQESA-N -1 3 249.335 2.806 20 0 BFADHM Cc1cccc(-c2nc([C@H]3C[C@H]3C)no2)c1[O-] ZINC000088055511 135514310 /nfs/dbraw/zinc/51/43/10/135514310.db2.gz JPNXHQXPTWHMHM-SCZZXKLOSA-N -1 3 230.267 2.874 20 0 BFADHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335347916 136067566 /nfs/dbraw/zinc/06/75/66/136067566.db2.gz SCNSZYZNPIZOHY-ZJUUUORDSA-N -1 3 237.274 2.762 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])c1cccs1 ZINC000335372581 136083799 /nfs/dbraw/zinc/08/37/99/136083799.db2.gz ASAITWZEPDFHCH-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000335560509 136105816 /nfs/dbraw/zinc/10/58/16/136105816.db2.gz UINRYIMLEMMCIQ-HZMBPMFUSA-N -1 3 231.295 2.829 20 0 BFADHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccs1 ZINC000035132775 398081138 /nfs/dbraw/zinc/08/11/38/398081138.db2.gz VINQHSHCWSLYOW-SECBINFHSA-N -1 3 247.319 2.945 20 0 BFADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1nc(C)cs1 ZINC000289313725 398085681 /nfs/dbraw/zinc/08/56/81/398085681.db2.gz WKGNBPPTOZZJJS-ZETCQYMHSA-N -1 3 248.298 2.674 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@H]2C)c1[O-] ZINC000530986191 398086809 /nfs/dbraw/zinc/08/68/09/398086809.db2.gz MXCCVDGRKSNKHJ-SNVBAGLBSA-N -1 3 233.311 2.579 20 0 BFADHM CCC[C@@H](C)NC(=O)c1cccc(CC)c1[O-] ZINC000674357441 487564160 /nfs/dbraw/zinc/56/41/60/487564160.db2.gz PKQZPMKJJUWMNR-SNVBAGLBSA-N -1 3 235.327 2.873 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc(F)c(Cl)c1 ZINC000297487402 167276530 /nfs/dbraw/zinc/27/65/30/167276530.db2.gz PEHZKQLAOHHOSU-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc(F)c(Cl)c1 ZINC000297487402 167276533 /nfs/dbraw/zinc/27/65/33/167276533.db2.gz PEHZKQLAOHHOSU-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)ON=C([O-])Nc1cc(F)cc(F)c1F ZINC000297019729 167277237 /nfs/dbraw/zinc/27/72/37/167277237.db2.gz JSAVGNCSBCKVGD-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cc(F)cc(F)c1F ZINC000297019729 167277239 /nfs/dbraw/zinc/27/72/39/167277239.db2.gz JSAVGNCSBCKVGD-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)c1noc([N-][C@H](C)c2cscn2)n1 ZINC000664261924 410542990 /nfs/dbraw/zinc/54/29/90/410542990.db2.gz UQJIMUGZVUTKQG-SSDOTTSWSA-N -1 3 238.316 2.823 20 0 BFADHM CC(C)(C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000287577204 166511168 /nfs/dbraw/zinc/51/11/68/166511168.db2.gz CCBMRCGXVOWYDX-UHFFFAOYSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000651157991 410839310 /nfs/dbraw/zinc/83/93/10/410839310.db2.gz FDJJGXQTVSVALC-GRYCIOLGSA-N -1 3 243.306 2.933 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H](C)c1cccc(F)c1 ZINC000295753880 167275723 /nfs/dbraw/zinc/27/57/23/167275723.db2.gz VAGLHUOFGXTLMR-JTQLQIEISA-N -1 3 239.290 2.776 20 0 BFADHM CC(C)O[N-]C(=O)C[C@H]1CCCc2ccccc21 ZINC000295712300 167276402 /nfs/dbraw/zinc/27/64/02/167276402.db2.gz PNJKLNUFQFIECC-CYBMUJFWSA-N -1 3 247.338 2.953 20 0 BFADHM CC(C)O[N-]C(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000295558565 167276417 /nfs/dbraw/zinc/27/64/17/167276417.db2.gz MPKHWMGHQBLFKZ-AWEZNQCLSA-N -1 3 249.354 2.958 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc(Cl)c(F)c1 ZINC000296205109 167277184 /nfs/dbraw/zinc/27/71/84/167277184.db2.gz AAHIYVDQJCGGIJ-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc(Cl)c(F)c1 ZINC000296205109 167277187 /nfs/dbraw/zinc/27/71/87/167277187.db2.gz AAHIYVDQJCGGIJ-UHFFFAOYSA-N -1 3 246.669 2.941 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000295730414 167277893 /nfs/dbraw/zinc/27/78/93/167277893.db2.gz RLCKJQVXDNXLNQ-GFCCVEGCSA-N -1 3 247.338 2.638 20 0 BFADHM Cc1ccc(C(=O)Nc2cccc(O)c2)c([O-])c1 ZINC000020212128 411062659 /nfs/dbraw/zinc/06/26/59/411062659.db2.gz IMKVKKGVESWKMB-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM CCCC(C)(C)C(=O)Nc1ncccc1[O-] ZINC000651705394 411137126 /nfs/dbraw/zinc/13/71/26/411137126.db2.gz RCONISFDDNMZDG-UHFFFAOYSA-N -1 3 222.288 2.552 20 0 BFADHM Cc1co[n-]c1=NC(=O)c1cc(C(C)C)oc1C ZINC000334373163 411123261 /nfs/dbraw/zinc/12/32/61/411123261.db2.gz ZNKWIHXZYSWXIL-UHFFFAOYSA-N -1 3 248.282 2.682 20 0 BFADHM Cc1oc([C@@H](C)N2CCCCC2)cc1C(=O)[O-] ZINC000652451204 411245544 /nfs/dbraw/zinc/24/55/44/411245544.db2.gz UBHLDXGXIFISDT-SECBINFHSA-N -1 3 237.299 2.833 20 0 BFADHM Cc1ccc(C(=O)N2CCC23CCCC3)c([O-])c1 ZINC000652572073 411277316 /nfs/dbraw/zinc/27/73/16/411277316.db2.gz VMFSYPZETNXWMU-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM Cc1cc(NC[C@@H](C)C(=O)[O-])c2ccccc2n1 ZINC000054334745 411289270 /nfs/dbraw/zinc/28/92/70/411289270.db2.gz USTOITKHQYALRN-SECBINFHSA-N -1 3 244.294 2.676 20 0 BFADHM CC1(C)CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000358094297 167912930 /nfs/dbraw/zinc/91/29/30/167912930.db2.gz HJICQOWYRWEAKY-VIFPVBQESA-N -1 3 234.299 2.552 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000403508923 411350222 /nfs/dbraw/zinc/35/02/22/411350222.db2.gz BMWHMSDUPBQROX-IJLUTSLNSA-N -1 3 245.322 2.619 20 0 BFADHM CC1=CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000281741361 168100672 /nfs/dbraw/zinc/10/06/72/168100672.db2.gz GZQMQRCKGYLNNK-UHFFFAOYSA-N -1 3 221.275 2.683 20 0 BFADHM CCOCCCNCc1cccc([O-])c1Cl ZINC000293985079 170381925 /nfs/dbraw/zinc/38/19/25/170381925.db2.gz FBVJDBJVQZVTAW-UHFFFAOYSA-N -1 3 243.734 2.562 20 0 BFADHM CCO[N-]C(=O)Nc1ccc2occ(C)c2c1 ZINC000188026523 170465659 /nfs/dbraw/zinc/46/56/59/170465659.db2.gz GHPGUBWVSZRJOZ-UHFFFAOYSA-N -1 3 234.255 2.814 20 0 BFADHM CCc1oc(C(=O)[O-])cc1CN1CC2CC1(C)C2 ZINC000663315920 411622822 /nfs/dbraw/zinc/62/28/22/411622822.db2.gz PYTBUAKOORLCTN-UHFFFAOYSA-N -1 3 249.310 2.525 20 0 BFADHM CC[C@@H](C)NC(=O)c1cc(SC)ccc1[O-] ZINC000665059688 412075120 /nfs/dbraw/zinc/07/51/20/412075120.db2.gz CBHBLDZIIACXRO-MRVPVSSYSA-N -1 3 239.340 2.642 20 0 BFADHM CCc1cc(C(=O)N[C@H]2CC=CCC2)ccc1[O-] ZINC000291846110 171755012 /nfs/dbraw/zinc/75/50/12/171755012.db2.gz FTHVHECTLCAOKB-ZDUSSCGKSA-N -1 3 245.322 2.793 20 0 BFADHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)C1CC1 ZINC000185045412 172340962 /nfs/dbraw/zinc/34/09/62/172340962.db2.gz WIZNOWGIZHRZQX-UHFFFAOYSA-N -1 3 245.322 2.505 20 0 BFADHM CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153644868 175537553 /nfs/dbraw/zinc/53/75/53/175537553.db2.gz YRXUPOMHPJCUIJ-LURJTMIESA-N -1 3 245.731 2.736 20 0 BFADHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000019839637 176080021 /nfs/dbraw/zinc/08/00/21/176080021.db2.gz CLWXUFKDPSNRTE-MFKMUULPSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000019839641 176087222 /nfs/dbraw/zinc/08/72/22/176087222.db2.gz CLWXUFKDPSNRTE-ZWNOBZJWSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC000050566605 176095168 /nfs/dbraw/zinc/09/51/68/176095168.db2.gz XEMFRZUNONOGEE-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000182891226 176163533 /nfs/dbraw/zinc/16/35/33/176163533.db2.gz CSOMQRJKKLKCSZ-VXGBXAGGSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccccc2[O-])C1 ZINC000119394092 176163600 /nfs/dbraw/zinc/16/36/00/176163600.db2.gz TYHDRDIZXLZCOO-VXGBXAGGSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000295365376 176176687 /nfs/dbraw/zinc/17/66/87/176176687.db2.gz OANKRVGZRLCXOI-SECBINFHSA-N -1 3 225.719 2.887 20 0 BFADHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000088707533 176197982 /nfs/dbraw/zinc/19/79/82/176197982.db2.gz APFVVMJNCCPJNG-GHMZBOCLSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccccc2[O-])O1 ZINC000175083058 176202385 /nfs/dbraw/zinc/20/23/85/176202385.db2.gz CDWGZGNRLBXISK-MNOVXSKESA-N -1 3 249.310 2.678 20 0 BFADHM C[C@@H]1CC[C@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000128656097 176222815 /nfs/dbraw/zinc/22/28/15/176222815.db2.gz NMRJLLVDOQZARR-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H]1C ZINC000166990906 176262308 /nfs/dbraw/zinc/26/23/08/176262308.db2.gz QVROHXWHPNVJQK-GHMZBOCLSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000295460194 176301858 /nfs/dbraw/zinc/30/18/58/176301858.db2.gz VUQUPTKRUYLOCY-RKDXNWHRSA-N -1 3 241.281 2.758 20 0 BFADHM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc([O-])c2)C1 ZINC000019840011 176360512 /nfs/dbraw/zinc/36/05/12/176360512.db2.gz BVLJUFNAADWNST-GHMZBOCLSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1C[C@H]1CN=c1[n-]c(C(F)(F)F)cs1 ZINC000336770168 176436292 /nfs/dbraw/zinc/43/62/92/176436292.db2.gz WIOYGXGDEJTAGE-RITPCOANSA-N -1 3 236.262 2.652 20 0 BFADHM C[C@H]1CC(C(=O)Nc2ncccc2[O-])C[C@H](C)C1 ZINC000356258542 177063556 /nfs/dbraw/zinc/06/35/56/177063556.db2.gz PIVUQLPQSPGTAI-NXEZZACHSA-N -1 3 248.326 2.798 20 0 BFADHM C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000019839635 177087732 /nfs/dbraw/zinc/08/77/32/177087732.db2.gz BMSSCZMIKCQEIE-CMPLNLGQSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000062926913 177095035 /nfs/dbraw/zinc/09/50/35/177095035.db2.gz VLWRZLQEMDGGNE-NSHDSACASA-N -1 3 233.311 2.654 20 0 BFADHM C[C@H]1CCN(C(=O)c2cccc([O-])c2)C[C@H](C)C1 ZINC000182891245 177154902 /nfs/dbraw/zinc/15/49/02/177154902.db2.gz CSOMQRJKKLKCSZ-NWDGAFQWSA-N -1 3 247.338 2.900 20 0 BFADHM C[C@@H]1C[C@@H](C)CCN1C(=O)c1ccccc1[O-] ZINC000051734493 177154907 /nfs/dbraw/zinc/15/49/07/177154907.db2.gz YLVLJFKDLQNWRJ-WDEREUQCSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000336554450 177181792 /nfs/dbraw/zinc/18/17/92/177181792.db2.gz RKDLBIATSQTBMP-VHSXEESVSA-N -1 3 219.284 2.767 20 0 BFADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccncc2[O-])C1 ZINC000133686122 177188337 /nfs/dbraw/zinc/18/83/37/177188337.db2.gz RSAHLLCQJYBVLS-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H]1C ZINC000295460177 177260345 /nfs/dbraw/zinc/26/03/45/177260345.db2.gz VUQUPTKRUYLOCY-IUCAKERBSA-N -1 3 241.281 2.758 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@H]3C[C@H]32)c1[O-] ZINC000672128672 487647722 /nfs/dbraw/zinc/64/77/22/487647722.db2.gz OZNKBSFWQHQGOO-WCQYABFASA-N -1 3 245.322 2.579 20 0 BFADHM CC[C@H](C)CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612419 487670452 /nfs/dbraw/zinc/67/04/52/487670452.db2.gz XUMPSFJMSLPQTF-SMDDNHRTSA-N -1 3 247.338 2.717 20 0 BFADHM CCC[C@@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000233278002 487706285 /nfs/dbraw/zinc/70/62/85/487706285.db2.gz KDQITQRIZCEJCX-SNVBAGLBSA-N -1 3 233.311 2.889 20 0 BFADHM O=C([N-]c1cnoc1)c1cc(F)cc(Cl)c1 ZINC000674918861 487738566 /nfs/dbraw/zinc/73/85/66/487738566.db2.gz CMKQBFUAQASJQY-UHFFFAOYSA-N -1 3 240.621 2.719 20 0 BFADHM C[C@@H]1CC[C@@H](C)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000088705789 487746053 /nfs/dbraw/zinc/74/60/53/487746053.db2.gz UFSBKZYVBMTRPJ-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM CCc1cc(C(=O)[N-]c2cnoc2)oc1CC ZINC000676167051 487816704 /nfs/dbraw/zinc/81/67/04/487816704.db2.gz IDOMLUSTLBUYBP-UHFFFAOYSA-N -1 3 234.255 2.645 20 0 BFADHM CC[C@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000790929421 585970784 /nfs/dbraw/zinc/97/07/84/585970784.db2.gz TYYFSZFWPXVQFC-JTQLQIEISA-N -1 3 213.321 2.803 20 0 BFADHM O=C(OCC(F)F)c1cc(Cl)c(Cl)[n-]1 ZINC000103656586 586270356 /nfs/dbraw/zinc/27/03/56/586270356.db2.gz BLAAJHOPHBBQDE-UHFFFAOYSA-N -1 3 244.024 2.743 20 0 BFADHM CC(C)O[N-]C(=O)CC(C)(C)CC(F)F ZINC000880184882 590951887 /nfs/dbraw/zinc/95/18/87/590951887.db2.gz WBBCMDHYFQORSV-UHFFFAOYSA-N -1 3 223.263 2.514 20 0 BFADHM CCCC(C)(C)C(=O)Nc1nc(C)ccc1[O-] ZINC000651926425 487866912 /nfs/dbraw/zinc/86/69/12/487866912.db2.gz VCPQBINIISMSNW-UHFFFAOYSA-N -1 3 236.315 2.860 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1CCCCCC1 ZINC000011802392 487889483 /nfs/dbraw/zinc/88/94/83/487889483.db2.gz OSNHFFWMOWQUIO-UHFFFAOYSA-N -1 3 237.299 2.662 20 0 BFADHM C[C@H]1CC[C@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000248409149 323134829 /nfs/dbraw/zinc/13/48/29/323134829.db2.gz FRMNMBVIVYDOPB-UMSPYCQHSA-N -1 3 233.311 2.701 20 0 BFADHM CC1=CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000571529481 323147007 /nfs/dbraw/zinc/14/70/07/323147007.db2.gz KOTVLANCNCGUEI-CYBMUJFWSA-N -1 3 249.285 2.603 20 0 BFADHM CC(C)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517770 323153778 /nfs/dbraw/zinc/15/37/78/323153778.db2.gz JSDPJWYWZSZKDB-UHFFFAOYSA-N -1 3 235.327 2.901 20 0 BFADHM Cc1cccc(C(=O)N[C@@]2(C)CC=CCC2)c1[O-] ZINC000398398911 323185605 /nfs/dbraw/zinc/18/56/05/323185605.db2.gz VKRRNJQIBZVSLY-HNNXBMFYSA-N -1 3 245.322 2.929 20 0 BFADHM CCc1cccc(C(=O)N(CC)C2CCC2)c1[O-] ZINC000536706580 323201563 /nfs/dbraw/zinc/20/15/63/323201563.db2.gz UOLXEAPRHIBEKY-UHFFFAOYSA-N -1 3 247.338 2.969 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000399295030 323203163 /nfs/dbraw/zinc/20/31/63/323203163.db2.gz JPFVFYYIJYDZFH-HNNXBMFYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1ccc(C(=O)NC(C)(C)C2CC2)c([O-])c1C ZINC000537716177 324096025 /nfs/dbraw/zinc/09/60/25/324096025.db2.gz MZNICMGOBWSCIO-UHFFFAOYSA-N -1 3 247.338 2.927 20 0 BFADHM CC(C)O[N-]C(=O)C1(C)CCC(F)(F)CC1 ZINC000529442960 324299711 /nfs/dbraw/zinc/29/97/11/324299711.db2.gz GAAOFRPAJGGFGQ-UHFFFAOYSA-N -1 3 235.274 2.658 20 0 BFADHM CCc1ccc(C(=O)NC(C)(C)C2CC2)c([O-])c1 ZINC000530331250 324582305 /nfs/dbraw/zinc/58/23/05/324582305.db2.gz RSBUHOBRLAUYIJ-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128349111 324828444 /nfs/dbraw/zinc/82/84/44/324828444.db2.gz WCHKLBHJBWCFQJ-OQPBUACISA-N -1 3 237.274 2.906 20 0 BFADHM CC1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128450005 324840493 /nfs/dbraw/zinc/84/04/93/324840493.db2.gz ZYFLQZUMSGJRNH-SSDOTTSWSA-N -1 3 223.247 2.516 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2C)c1 ZINC000539841325 324870166 /nfs/dbraw/zinc/87/01/66/324870166.db2.gz NSUVKWBQJUKQRF-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM C[C@H](C(=O)Nc1ncccc1[O-])c1ccsc1 ZINC000130197942 325023318 /nfs/dbraw/zinc/02/33/18/325023318.db2.gz XTUMBZXHJBKORA-QMMMGPOBSA-N -1 3 248.307 2.591 20 0 BFADHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])sn1 ZINC000130211275 325023882 /nfs/dbraw/zinc/02/38/82/325023882.db2.gz ZWEFWQCEARVFKD-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])oc1C ZINC000131235888 325128644 /nfs/dbraw/zinc/12/86/44/325128644.db2.gz SDNRPKJIFRXOET-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])oc1C ZINC000544346977 325138591 /nfs/dbraw/zinc/13/85/91/325138591.db2.gz YICWYJILIPHTMC-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM O=C([N-]c1c(F)cc(F)cc1F)c1ccoc1 ZINC000072507126 325151209 /nfs/dbraw/zinc/15/12/09/325151209.db2.gz PVGZUUVXTHTUBD-UHFFFAOYSA-N -1 3 241.168 2.949 20 0 BFADHM CCc1cccc(-c2nc(C3CC3)no2)c1[O-] ZINC000545032463 325172428 /nfs/dbraw/zinc/17/24/28/325172428.db2.gz SGHRHCOGOAMFRP-UHFFFAOYSA-N -1 3 230.267 2.882 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000132935026 325254687 /nfs/dbraw/zinc/25/46/87/325254687.db2.gz MOWVTYOIAHEETM-ONGXEEELSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C(C)C)C2)c1[O-] ZINC000134966949 325384958 /nfs/dbraw/zinc/38/49/58/325384958.db2.gz ABBGFLNOZNKNPJ-LBPRGKRZSA-N -1 3 247.338 2.819 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1ccncc1 ZINC000552434647 325636417 /nfs/dbraw/zinc/63/64/17/325636417.db2.gz TXTRSHFRYJCWFS-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM CCC1(C(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000567237959 326148625 /nfs/dbraw/zinc/14/86/25/326148625.db2.gz YBZHDWMTDJLLFU-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM CCCN(CC)Cc1cc(C(=O)[O-])oc1CC ZINC000568402447 326354745 /nfs/dbraw/zinc/35/47/45/326354745.db2.gz IGZXEPKMNVMUTC-UHFFFAOYSA-N -1 3 239.315 2.772 20 0 BFADHM O=C([O-])c1ccc2c(c1)CN(CCC1CC1)CC2 ZINC000212077846 487995653 /nfs/dbraw/zinc/99/56/53/487995653.db2.gz FOWSDUJLKTXZIV-UHFFFAOYSA-N -1 3 245.322 2.543 20 0 BFADHM C=C/C(C)=C/CC(=O)Nc1cc(F)ccc1[O-] ZINC000682695919 488021178 /nfs/dbraw/zinc/02/11/78/488021178.db2.gz ZYFJSLUQIWOBSZ-RUDMXATFSA-N -1 3 235.258 2.992 20 0 BFADHM CCc1nc(O[C@@H](C)C2CCCC2)cc(=O)[n-]1 ZINC001226475941 974922424 /nfs/dbraw/zinc/92/24/24/974922424.db2.gz OSIHRZZVLJKNEC-VIFPVBQESA-N -1 3 236.315 2.702 20 0 BFADHM CC[C@]1(C)CCN(Cc2ccc(C(=O)[O-])o2)C1 ZINC000399462828 487485662 /nfs/dbraw/zinc/48/56/62/487485662.db2.gz MFSFKVTZNCCSJS-CYBMUJFWSA-N -1 3 237.299 2.600 20 0 BFADHM CN(CCC(C)(C)C)Cc1ccc(C(=O)[O-])o1 ZINC000399720018 487496205 /nfs/dbraw/zinc/49/62/05/487496205.db2.gz KYRQADBUKBKPJH-UHFFFAOYSA-N -1 3 239.315 2.846 20 0 BFADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])c1ccco1 ZINC000674014972 487501411 /nfs/dbraw/zinc/50/14/11/487501411.db2.gz AWBXXNLKLWCFQW-MRVPVSSYSA-N -1 3 249.241 2.867 20 0 BFADHM O=C(NCCCF)c1cc([O-])c2ccccc2c1 ZINC000525925823 487534813 /nfs/dbraw/zinc/53/48/13/487534813.db2.gz AALHATPLPKCOML-UHFFFAOYSA-N -1 3 247.269 2.635 20 0 BFADHM Cc1ccc(NC(=O)CCn2cccc2)c([O-])c1 ZINC000674324102 487560193 /nfs/dbraw/zinc/56/01/93/487560193.db2.gz MBBVYTIVZDBIBW-UHFFFAOYSA-N -1 3 244.294 2.531 20 0 BFADHM [O-]c1coc2cc(OCCC(F)(F)F)ccc12 ZINC000070212462 487721809 /nfs/dbraw/zinc/72/18/09/487721809.db2.gz QNKUAYHSLZUBCX-UHFFFAOYSA-N -1 3 246.184 2.593 20 0 BFADHM Cc1ncnc(C)c1-c1ccc([O-])c(F)c1 ZINC000584645726 488022894 /nfs/dbraw/zinc/02/28/94/488022894.db2.gz DDDSFMZXLUTPLF-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM CCCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010465 488158619 /nfs/dbraw/zinc/15/86/19/488158619.db2.gz KQBPXRPUTFFDNN-UHFFFAOYSA-N -1 3 219.284 2.501 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]3C[C@H]32)c1 ZINC000672138423 488240264 /nfs/dbraw/zinc/24/02/64/488240264.db2.gz TWIWHIDZHFVEIO-WCQYABFASA-N -1 3 245.322 2.579 20 0 BFADHM O=C(CCC(F)F)Nc1cc(F)ccc1[O-] ZINC000684472023 488318446 /nfs/dbraw/zinc/31/84/46/488318446.db2.gz YDNIIBXTNFOPQO-UHFFFAOYSA-N -1 3 233.189 2.515 20 0 BFADHM CC(C)(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC000392817342 490158144 /nfs/dbraw/zinc/15/81/44/490158144.db2.gz BFQMBVWTMDIJMB-UHFFFAOYSA-N -1 3 247.338 2.948 20 0 BFADHM Cc1cc(C(=O)N[C@@H](C)C2CCC2)ccc1[O-] ZINC000227042309 491054194 /nfs/dbraw/zinc/05/41/94/491054194.db2.gz MJPDNNWBTMZKIM-JTQLQIEISA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cc(C(=O)N[C@H](C)C2CCC2)ccc1[O-] ZINC000227042319 491054199 /nfs/dbraw/zinc/05/41/99/491054199.db2.gz MJPDNNWBTMZKIM-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM CCCO[N-]C(=O)CCCc1sccc1C ZINC000844085075 582568847 /nfs/dbraw/zinc/56/88/47/582568847.db2.gz AXPMKRRKZLFJJQ-UHFFFAOYSA-N -1 3 241.356 2.837 20 0 BFADHM O=C(/C=C\C1CC1)Nc1c([O-])cccc1Cl ZINC000493030739 534789156 /nfs/dbraw/zinc/78/91/56/534789156.db2.gz XQMKXUCOPRGMBO-SREVYHEPSA-N -1 3 237.686 2.950 20 0 BFADHM CCCO[N-]C(=O)/C=C\c1ccccc1OCC ZINC000493798060 528600771 /nfs/dbraw/zinc/60/07/71/528600771.db2.gz VYZXWZWKUAWJHG-KTKRTIGZSA-N -1 3 249.310 2.556 20 0 BFADHM CCc1[nH]ccc1C(=O)Nc1cccc([O-])c1F ZINC000336165070 535996369 /nfs/dbraw/zinc/99/63/69/535996369.db2.gz XXZZCSHDEXUIBB-UHFFFAOYSA-N -1 3 248.257 2.674 20 0 BFADHM COc1ccc(NC(=O)[C@H](C)C(C)C)c([O-])c1 ZINC000442700512 537826087 /nfs/dbraw/zinc/82/60/87/537826087.db2.gz QCBZUWPABWAWRT-SECBINFHSA-N -1 3 237.299 2.631 20 0 BFADHM C[C@@H](CCCC(F)(F)F)Nc1cc(=O)[n-]cn1 ZINC000893480259 583151439 /nfs/dbraw/zinc/15/14/39/583151439.db2.gz INNIXRWBDFIEKL-ZETCQYMHSA-N -1 3 249.236 2.715 20 0 BFADHM CC(C)(NCc1ccc([O-])c(F)c1)C(F)F ZINC000894149890 583319426 /nfs/dbraw/zinc/31/94/26/583319426.db2.gz YDPSTDQFIYECER-UHFFFAOYSA-N -1 3 233.233 2.665 20 0 BFADHM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)[N-]Oc1ccccc1 ZINC000854535832 588791394 /nfs/dbraw/zinc/79/13/94/588791394.db2.gz AQRCGKFFGKETDE-MDZLAQPJSA-N -1 3 231.295 2.533 20 0 BFADHM O=C(C[C@H]1C=CCCC1)[N-]Oc1ccccc1 ZINC000854537552 588791518 /nfs/dbraw/zinc/79/15/18/588791518.db2.gz VUMDHAZDMVWVCU-LBPRGKRZSA-N -1 3 231.295 2.843 20 0 BFADHM CCC(C)(C)CC(=O)[N-]Oc1ccccc1 ZINC000854537652 588791741 /nfs/dbraw/zinc/79/17/41/588791741.db2.gz YCNQLJSQFMBYTC-UHFFFAOYSA-N -1 3 221.300 2.923 20 0 BFADHM [O-]c1cc(Cl)cc(CN2CCCC2)c1 ZINC000891448013 582687710 /nfs/dbraw/zinc/68/77/10/582687710.db2.gz XRIVYUQCPIQUHQ-UHFFFAOYSA-N -1 3 211.692 2.641 20 0 BFADHM COc1ccc(NC(=O)C2(C)CCC2)c([O-])c1 ZINC000135404690 582966920 /nfs/dbraw/zinc/96/69/20/582966920.db2.gz VZDGSLWTDUYWLJ-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM O=C([N-]OCC1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000856351304 588870311 /nfs/dbraw/zinc/87/03/11/588870311.db2.gz HYVAWSNPWVUXAV-UONOGXRCSA-N -1 3 245.322 2.638 20 0 BFADHM O=C(/C=C\c1ccccc1F)[N-]OCC1CCC1 ZINC000856343623 588868324 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/nfs/dbraw/zinc/77/16/63/583771663.db2.gz JEAKVBAANKNKTD-UHFFFAOYSA-N -1 3 239.706 2.604 20 0 BFADHM CCC1(C(=O)[N-]OCc2cccc(C)n2)CCC1 ZINC000898934329 584166660 /nfs/dbraw/zinc/16/66/60/584166660.db2.gz MMMQPTYFUYQQMW-UHFFFAOYSA-N -1 3 248.326 2.518 20 0 BFADHM CCC(CC)Cn1[n-]cc2c(=O)cccc-2c1=O ZINC000899353091 584200401 /nfs/dbraw/zinc/20/04/01/584200401.db2.gz ISKZSWDQBXWNJW-UHFFFAOYSA-N -1 3 246.310 2.538 20 0 BFADHM CCC(CC)Cn1ncc2c([O-])cccc2c1=O ZINC000899353091 584200404 /nfs/dbraw/zinc/20/04/04/584200404.db2.gz ISKZSWDQBXWNJW-UHFFFAOYSA-N -1 3 246.310 2.538 20 0 BFADHM O=c1cccc2c(=O)n(C3CCCCC3)[n-]cc1-2 ZINC000899349132 584202462 /nfs/dbraw/zinc/20/24/62/584202462.db2.gz VINPHCMBSGJPBM-UHFFFAOYSA-N -1 3 244.294 2.607 20 0 BFADHM O=c1c2cccc([O-])c2cnn1C1CCCCC1 ZINC000899349132 584202464 /nfs/dbraw/zinc/20/24/64/584202464.db2.gz VINPHCMBSGJPBM-UHFFFAOYSA-N -1 3 244.294 2.607 20 0 BFADHM Cc1[n-]n(Cc2ccccc2F)c(=O)c1C(C)C ZINC000899351407 584203704 /nfs/dbraw/zinc/20/37/04/584203704.db2.gz JJHJASALDSMDGN-CYBMUJFWSA-N -1 3 248.301 2.816 20 0 BFADHM CCC(C)(C)C(=O)C(=O)Nc1cccc(C)c1[O-] ZINC000901227979 584412277 /nfs/dbraw/zinc/41/22/77/584412277.db2.gz KRBAITXJSZAGHU-UHFFFAOYSA-N -1 3 249.310 2.644 20 0 BFADHM CCC(C)(C)C(=O)C(=O)Nc1c(C)cccc1[O-] ZINC000901293679 584423100 /nfs/dbraw/zinc/42/31/00/584423100.db2.gz LAQHXGXLZARMJC-UHFFFAOYSA-N -1 3 249.310 2.644 20 0 BFADHM O=C([O-])c1coc(CN[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000901951681 584508162 /nfs/dbraw/zinc/50/81/62/584508162.db2.gz CRDVBTNMVKAVNS-QWHCGFSZSA-N -1 3 249.310 2.646 20 0 BFADHM C[C@H](CC(C)(C)CC(=O)[O-])NCc1ccco1 ZINC000902047674 584516604 /nfs/dbraw/zinc/51/66/04/584516604.db2.gz DXIRTFYQIXDEJH-SNVBAGLBSA-N -1 3 239.315 2.649 20 0 BFADHM C[C@@H](CC(C)(C)CC(=O)[O-])NCc1ccco1 ZINC000902047673 584516770 /nfs/dbraw/zinc/51/67/70/584516770.db2.gz DXIRTFYQIXDEJH-JTQLQIEISA-N -1 3 239.315 2.649 20 0 BFADHM CC(C)CCNCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902050821 584517176 /nfs/dbraw/zinc/51/71/76/584517176.db2.gz QAIKRNZIOMFTFS-WAYWQWQTSA-N -1 3 237.299 2.513 20 0 BFADHM CCC(CC)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902058254 584521451 /nfs/dbraw/zinc/52/14/51/584521451.db2.gz XYCYNJPOMUILOI-FPLPWBNLSA-N -1 3 237.299 2.656 20 0 BFADHM CCc1oc(CN[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000902264010 584545631 /nfs/dbraw/zinc/54/56/31/584545631.db2.gz HDXFUESNEDXWQL-SNVBAGLBSA-N -1 3 249.310 2.739 20 0 BFADHM O=C([O-])c1ccc(CNCC2(CC3CC3)CC2)o1 ZINC000902446120 584592315 /nfs/dbraw/zinc/59/23/15/584592315.db2.gz WUFRZQDWVNSWHZ-UHFFFAOYSA-N -1 3 249.310 2.648 20 0 BFADHM C[C@]1(CNCc2ccc(C(=O)[O-])o2)C[C@H]2C[C@H]2C1 ZINC000902431331 584595289 /nfs/dbraw/zinc/59/52/89/584595289.db2.gz FGHFDYZSKQINDW-MSRIBSCDSA-N -1 3 249.310 2.504 20 0 BFADHM C/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759695145 584907042 /nfs/dbraw/zinc/90/70/42/584907042.db2.gz AAXRIAJZKQJBTN-IHWYPQMZSA-N -1 3 211.648 2.560 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153467181 584912649 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/nfs/dbraw/zinc/00/13/68/585001368.db2.gz SAUBAIFUEUBNKE-MRVPVSSYSA-N -1 3 249.293 2.606 20 0 BFADHM CCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000736424744 585001369 /nfs/dbraw/zinc/00/13/69/585001369.db2.gz SAUBAIFUEUBNKE-MRVPVSSYSA-N -1 3 249.293 2.606 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC2CCC2)c(C)n1 ZINC000821826060 585017680 /nfs/dbraw/zinc/01/76/80/585017680.db2.gz ABCXFPLCGFUMDG-UHFFFAOYSA-N -1 3 249.314 2.552 20 0 BFADHM CCC[C@H](C)OC(=O)Cc1ccc([O-])c(F)c1 ZINC000838140768 585046894 /nfs/dbraw/zinc/04/68/94/585046894.db2.gz BOQNHTXBNCIYTG-VIFPVBQESA-N -1 3 240.274 2.806 20 0 BFADHM C=COc1ccc(NC([O-])=NOC(C)C)cc1 ZINC000839160401 585098054 /nfs/dbraw/zinc/09/80/54/585098054.db2.gz YKHIRFUHGXEQSO-UHFFFAOYSA-N -1 3 236.271 2.670 20 0 BFADHM C=COc1ccc(NC(=O)[N-]OC(C)C)cc1 ZINC000839160401 585098055 /nfs/dbraw/zinc/09/80/55/585098055.db2.gz YKHIRFUHGXEQSO-UHFFFAOYSA-N -1 3 236.271 2.670 20 0 BFADHM Cc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742221828 585123264 /nfs/dbraw/zinc/12/32/64/585123264.db2.gz VLBOHJOHDBHYFW-WAYWQWQTSA-N -1 3 212.252 2.661 20 0 BFADHM C/C(=C/C(=O)[N-]O[C@@H]1CCCCO1)C(C)(C)C ZINC000742606879 585128820 /nfs/dbraw/zinc/12/88/20/585128820.db2.gz QDYITHNEPBFODQ-ZWLSGLHFSA-N -1 3 241.331 2.553 20 0 BFADHM Cc1ncsc1NC(=O)c1cc2occc2[n-]1 ZINC000750915765 585221964 /nfs/dbraw/zinc/22/19/64/585221964.db2.gz YAZCDAUMDJIQQH-UHFFFAOYSA-N -1 3 247.279 2.778 20 0 BFADHM CC(C)=C(C)C(=O)[N-]OCc1ccccc1 ZINC000751191324 585225224 /nfs/dbraw/zinc/22/52/24/585225224.db2.gz SAVUUAOJTYBOPY-UHFFFAOYSA-N -1 3 219.284 2.591 20 0 BFADHM Cc1ncc(NC(=O)c2cc3occc3[n-]2)s1 ZINC000752412320 585245563 /nfs/dbraw/zinc/24/55/63/585245563.db2.gz FIKFDQKTYXJFPZ-UHFFFAOYSA-N -1 3 247.279 2.778 20 0 BFADHM C[C@H](CCC(C)(C)C)C(=O)[N-]C1=NCCS1 ZINC000754058200 585276688 /nfs/dbraw/zinc/27/66/88/585276688.db2.gz MZQWYECBADQUCP-SECBINFHSA-N -1 3 242.388 2.668 20 0 BFADHM O=C([N-]OCc1ccc(F)cc1)[C@@H]1CC12CCC2 ZINC000754722687 585290004 /nfs/dbraw/zinc/29/00/04/585290004.db2.gz ARLYDYBVTASUGL-LBPRGKRZSA-N -1 3 249.285 2.564 20 0 BFADHM O=C([N-]c1ccon1)c1cc2occc2s1 ZINC000755741283 585305542 /nfs/dbraw/zinc/30/55/42/585305542.db2.gz ACLMCBGHNCZAOG-UHFFFAOYSA-N -1 3 234.236 2.735 20 0 BFADHM CC(C)O[N-]C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839783931 585342062 /nfs/dbraw/zinc/34/20/62/585342062.db2.gz NCTQDSZEHGKEGJ-OCCSQVGLSA-N -1 3 233.311 2.636 20 0 BFADHM CC1(CC(=O)[N-]OC2CCCCC2)CC1 ZINC000758054150 585348735 /nfs/dbraw/zinc/34/87/35/585348735.db2.gz HPEMSSPVWUYBRH-UHFFFAOYSA-N -1 3 211.305 2.557 20 0 BFADHM CCCC[C@H](CC)CC(=O)[N-]OCC(F)F ZINC000759333657 585368359 /nfs/dbraw/zinc/36/83/59/585368359.db2.gz BOYSRVLVWNXQEO-VIFPVBQESA-N -1 3 237.290 2.906 20 0 BFADHM CS/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759696045 585378694 /nfs/dbraw/zinc/37/86/94/585378694.db2.gz GIRJZBUHIRZAAV-SNAWJCMRSA-N -1 3 243.715 2.861 20 0 BFADHM CCC/C=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000759701350 585378973 /nfs/dbraw/zinc/37/89/73/585378973.db2.gz AYNSRRCSURSXGQ-SNAWJCMRSA-N -1 3 223.247 2.826 20 0 BFADHM CCc1ccccc1NC([O-])=NOCC(F)F ZINC000759935588 585382998 /nfs/dbraw/zinc/38/29/98/585382998.db2.gz ZJMTVWJRRXWYMC-UHFFFAOYSA-N -1 3 244.241 2.567 20 0 BFADHM CCc1ccccc1NC(=O)[N-]OCC(F)F ZINC000759935588 585382999 /nfs/dbraw/zinc/38/29/99/585382999.db2.gz ZJMTVWJRRXWYMC-UHFFFAOYSA-N -1 3 244.241 2.567 20 0 BFADHM CCO[N-]C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000760010336 585384193 /nfs/dbraw/zinc/38/41/93/585384193.db2.gz ZHUJIBHFHUXWRD-UHFFFAOYSA-N -1 3 245.282 2.755 20 0 BFADHM CC[C@@H](C)CSCc1nc(C)cc(=O)[n-]1 ZINC000761867208 585421194 /nfs/dbraw/zinc/42/11/94/585421194.db2.gz VYEVOKAMXRCKOA-MRVPVSSYSA-N -1 3 226.345 2.770 20 0 BFADHM Cc1cc(=O)[n-]c(CN2CCC[C@H]2CC(C)C)n1 ZINC000761868402 585421328 /nfs/dbraw/zinc/42/13/28/585421328.db2.gz YRHFBWSMDRCBOR-LBPRGKRZSA-N -1 3 249.358 2.501 20 0 BFADHM Cc1cc(=O)[n-]c(CN2CCC[C@@H]2CC(C)C)n1 ZINC000761868401 585421452 /nfs/dbraw/zinc/42/14/52/585421452.db2.gz YRHFBWSMDRCBOR-GFCCVEGCSA-N -1 3 249.358 2.501 20 0 BFADHM C[C@@H](CC(=O)Nc1cccc([O-])c1F)C1CC1 ZINC000762313006 585430741 /nfs/dbraw/zinc/43/07/41/585430741.db2.gz PEZDBGVWCSWMTH-QMMMGPOBSA-N -1 3 237.274 2.906 20 0 BFADHM COc1ccc(C)cc1C=Cc1nccc(=O)[n-]1 ZINC000764433910 585465448 /nfs/dbraw/zinc/46/54/48/585465448.db2.gz HDYRCPLHWZZJRQ-XQRVVYSFSA-N -1 3 242.278 2.670 20 0 BFADHM O=c1ccnc(C=Cc2nccc3ccccc23)[n-]1 ZINC000764434681 585465618 /nfs/dbraw/zinc/46/56/18/585465618.db2.gz LLOSHOXBUAZTNV-AATRIKPKSA-N -1 3 249.273 2.901 20 0 BFADHM CC(=O)[N-]OCc1ccc(-c2cccs2)cc1 ZINC000766113318 585497919 /nfs/dbraw/zinc/49/79/19/585497919.db2.gz KONTZNVLXUJSCC-UHFFFAOYSA-N -1 3 247.319 2.983 20 0 BFADHM CC/C=C/CCOC(=O)c1ccc([O-])cc1 ZINC000767421924 585519736 /nfs/dbraw/zinc/51/97/36/585519736.db2.gz CLFVFUDXRCYTOA-ONEGZZNKSA-N -1 3 220.268 2.905 20 0 BFADHM C/C=C\C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000768662952 585541647 /nfs/dbraw/zinc/54/16/47/585541647.db2.gz DXFVEMLWDPJOHC-TZGMSPROSA-N -1 3 231.295 2.809 20 0 BFADHM CC(C)CO[N-]C(=O)C[C@@H]1CCC[C@H]1C ZINC000769011621 585547521 /nfs/dbraw/zinc/54/75/21/585547521.db2.gz SCRMILOLSYIBCI-MNOVXSKESA-N -1 3 213.321 2.517 20 0 BFADHM C[C@H]1CCC[C@H](COC(=O)c2cncc([O-])c2)C1 ZINC000770973686 585586090 /nfs/dbraw/zinc/58/60/90/585586090.db2.gz YIHWSUKZGLZOAO-QWRGUYRKSA-N -1 3 249.310 2.770 20 0 BFADHM CCC[C@@H](C)OC(=O)c1c([O-])cccc1F ZINC000772583616 585618625 /nfs/dbraw/zinc/61/86/25/585618625.db2.gz YGVDGTSHCYBSTC-MRVPVSSYSA-N -1 3 226.247 2.877 20 0 BFADHM O=C(OCC1CCCC1)c1c([O-])cccc1F ZINC000772582802 585618811 /nfs/dbraw/zinc/61/88/11/585618811.db2.gz PXQARDXMZFQKDR-UHFFFAOYSA-N -1 3 238.258 2.878 20 0 BFADHM C[C@H](CC(C)(C)C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000772654477 585619928 /nfs/dbraw/zinc/61/99/28/585619928.db2.gz AQGQHQXBIQNDJJ-GHMZBOCLSA-N -1 3 243.347 2.633 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1(F)CCCC1 ZINC000773497252 585638305 /nfs/dbraw/zinc/63/83/05/585638305.db2.gz TZZFBGIFPSJUCI-UHFFFAOYSA-N -1 3 241.237 2.752 20 0 BFADHM O=C(Nc1cccc([O-])c1F)C1(F)CCCC1 ZINC000773529004 585639410 /nfs/dbraw/zinc/63/94/10/585639410.db2.gz CBRYXBMLTGWTIG-UHFFFAOYSA-N -1 3 241.237 2.752 20 0 BFADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccncc1 ZINC000775274870 585674526 /nfs/dbraw/zinc/67/45/26/585674526.db2.gz CDFZSEKZRLSCJL-LLVKDONJSA-N -1 3 248.326 2.566 20 0 BFADHM CCCC1(C(=O)[N-]OC2CCCC2)CCC1 ZINC000775277271 585674689 /nfs/dbraw/zinc/67/46/89/585674689.db2.gz VSQWRBVVVDDJJQ-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM CC(C)CON=C([O-])Nc1cccc2cc[nH]c21 ZINC000776063800 585689780 /nfs/dbraw/zinc/68/97/80/585689780.db2.gz LGTRHJJDKYGCAV-UHFFFAOYSA-N -1 3 247.298 2.877 20 0 BFADHM CC(C)CO[N-]C(=O)Nc1cccc2cc[nH]c21 ZINC000776063800 585689781 /nfs/dbraw/zinc/68/97/81/585689781.db2.gz LGTRHJJDKYGCAV-UHFFFAOYSA-N -1 3 247.298 2.877 20 0 BFADHM CCC(C)(C)CC(=O)[N-]OCCC(F)(F)F ZINC000777973359 585724865 /nfs/dbraw/zinc/72/48/65/585724865.db2.gz QMHXCMAPVAOJMG-UHFFFAOYSA-N -1 3 241.253 2.813 20 0 BFADHM Cc1cccc([O-])c1NC(=O)COC1(C)CCC1 ZINC000778956715 585742635 /nfs/dbraw/zinc/74/26/35/585742635.db2.gz PPEGSCSTYOCJQE-UHFFFAOYSA-N -1 3 249.310 2.598 20 0 BFADHM CCCCC[C@](C)(CC)C(=O)[N-]OC ZINC000780313013 585777641 /nfs/dbraw/zinc/77/76/41/585777641.db2.gz TWRIJMIDKZAQGN-NSHDSACASA-N -1 3 201.310 2.661 20 0 BFADHM CC(C)[C@@H](F)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000784447449 585860040 /nfs/dbraw/zinc/86/00/40/585860040.db2.gz XAIDTLPNTRTCNZ-SNVBAGLBSA-N -1 3 245.681 2.978 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H](F)C(C)C ZINC000784459127 585860491 /nfs/dbraw/zinc/86/04/91/585860491.db2.gz GQODIXNDFSGTAL-SNVBAGLBSA-N -1 3 225.263 2.633 20 0 BFADHM COc1ccc(NC(=O)C=C2CCCC2)c([O-])c1 ZINC000785425714 585873309 /nfs/dbraw/zinc/87/33/09/585873309.db2.gz UPEHHPGRHMWBFD-UHFFFAOYSA-N -1 3 247.294 2.840 20 0 BFADHM O=C(OC/C=C/Cl)c1cc([O-])ccc1Cl ZINC000785868787 585882294 /nfs/dbraw/zinc/88/22/94/585882294.db2.gz DVWNLURLDVFJBF-DAFODLJHSA-N -1 3 247.077 2.955 20 0 BFADHM O=C(OCCCF)c1cc([O-])ccc1Cl ZINC000785878733 585882350 /nfs/dbraw/zinc/88/23/50/585882350.db2.gz UCRBYMNRJGNIPT-UHFFFAOYSA-N -1 3 232.638 2.562 20 0 BFADHM CSCCCOC(=O)c1cc2occc2[n-]1 ZINC000786030873 585885638 /nfs/dbraw/zinc/88/56/38/585885638.db2.gz ZQOPRVRPKWAZNB-UHFFFAOYSA-N -1 3 239.296 2.671 20 0 BFADHM O=C(OC1CCCC1)c1cc2occc2[n-]1 ZINC000786031148 585885916 /nfs/dbraw/zinc/88/59/16/585885916.db2.gz OHTPNAMZDWWIAE-UHFFFAOYSA-N -1 3 219.240 2.860 20 0 BFADHM CC[C@H](C)OC(=O)c1c(C)[n-]nc1C(C)C ZINC000786340154 585889979 /nfs/dbraw/zinc/88/99/79/585889979.db2.gz HVYVTCQLBRCSAD-QMMMGPOBSA-N -1 3 224.304 2.797 20 0 BFADHM CC[C@H](C)OC(=O)c1c(C)n[n-]c1C(C)C ZINC000786340154 585889980 /nfs/dbraw/zinc/88/99/80/585889980.db2.gz HVYVTCQLBRCSAD-QMMMGPOBSA-N -1 3 224.304 2.797 20 0 BFADHM C=C/C(C)=C/CC(=O)[N-]OCc1ccccc1 ZINC000788633415 585928189 /nfs/dbraw/zinc/92/81/89/585928189.db2.gz VCJIFKGDYSVIPZ-FMIVXFBMSA-N -1 3 231.295 2.757 20 0 BFADHM CC/C(C)=C(\C)C(=O)Nc1nc(C)ccc1[O-] ZINC000790071943 585957383 /nfs/dbraw/zinc/95/73/83/585957383.db2.gz BYVBRHOITSLIDX-CSKARUKUSA-N -1 3 234.299 2.781 20 0 BFADHM C/C=C(/C=C\C(=O)Nc1nc(C)ccc1[O-])CC ZINC000790072297 585957416 /nfs/dbraw/zinc/95/74/16/585957416.db2.gz KCTMSAYZOAJGRQ-WHIYXEERSA-N -1 3 246.310 2.947 20 0 BFADHM CC[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000790929496 585970722 /nfs/dbraw/zinc/97/07/22/585970722.db2.gz TYYFSZFWPXVQFC-SNVBAGLBSA-N -1 3 213.321 2.803 20 0 BFADHM C[C@@H]1C[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000791348475 585978519 /nfs/dbraw/zinc/97/85/19/585978519.db2.gz HDXIYQANLCFNHA-GMSGAONNSA-N -1 3 247.319 2.745 20 0 BFADHM O=C(OCCCCCF)c1ccc(F)cc1[O-] ZINC000792053588 585995153 /nfs/dbraw/zinc/99/51/53/585995153.db2.gz KQNAXZISBLIOEW-UHFFFAOYSA-N -1 3 244.237 2.828 20 0 BFADHM CCC[C@@](C)(CC)C(=O)[N-]OCCSC ZINC000794194927 586035115 /nfs/dbraw/zinc/03/51/15/586035115.db2.gz JGEJQEOHLGIJNS-LLVKDONJSA-N -1 3 233.377 2.614 20 0 BFADHM CSCCO[N-]C(=O)C(C)(C)C1CCCC1 ZINC000794194399 586035130 /nfs/dbraw/zinc/03/51/30/586035130.db2.gz BUWDRVCPCIDKGT-UHFFFAOYSA-N -1 3 245.388 2.614 20 0 BFADHM CCC1(C(=O)[N-]OC/C=C/Cl)CCCC1 ZINC000794294867 586037508 /nfs/dbraw/zinc/03/75/08/586037508.db2.gz XJLCGKXECHBPAZ-VMPITWQZSA-N -1 3 231.723 2.757 20 0 BFADHM O=C(/C=C/c1cccs1)[N-]OC/C=C/Cl ZINC000794306096 586037720 /nfs/dbraw/zinc/03/77/20/586037720.db2.gz PYHVFIQQJXJRGJ-JYZMYEGWSA-N -1 3 243.715 2.562 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CC[C@@H](C)CC ZINC000794855301 586050386 /nfs/dbraw/zinc/05/03/86/586050386.db2.gz ZJZQSMWURQEOAA-WDEREUQCSA-N -1 3 215.337 2.907 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H]1C=CCCC1 ZINC000794855533 586050863 /nfs/dbraw/zinc/05/08/63/586050863.db2.gz XGKJMLUWZRHAHG-VXGBXAGGSA-N -1 3 225.332 2.827 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCC[C@@H]1C ZINC000794852852 586051204 /nfs/dbraw/zinc/05/12/04/586051204.db2.gz OQROCGFSJZPMEM-SRVKXCTJSA-N -1 3 227.348 2.907 20 0 BFADHM CCc1cccc(CC(=O)[N-]OC[C@@H](C)CC)c1 ZINC000794851638 586051359 /nfs/dbraw/zinc/05/13/59/586051359.db2.gz GILWUSYJYOBIOZ-LBPRGKRZSA-N -1 3 249.354 2.885 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)CCCOC(C)(C)C ZINC000794854670 586051364 /nfs/dbraw/zinc/05/13/64/586051364.db2.gz VVNBCIHMOIEXBR-LLVKDONJSA-N -1 3 245.363 2.676 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)CC ZINC000794866698 586052568 /nfs/dbraw/zinc/05/25/68/586052568.db2.gz UVRPGXWKYSDICC-UWVGGRQHSA-N -1 3 201.310 2.517 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)CC ZINC000794866697 586052677 /nfs/dbraw/zinc/05/26/77/586052677.db2.gz UVRPGXWKYSDICC-NXEZZACHSA-N -1 3 201.310 2.517 20 0 BFADHM CC(C)CO[N-]C(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC000797636164 586129572 /nfs/dbraw/zinc/12/95/72/586129572.db2.gz UKQKVHMHUVHNBB-MRVWCRGKSA-N -1 3 247.338 2.740 20 0 BFADHM CC(C)C[C@H](C)COC(=O)c1cncc([O-])c1 ZINC000798615830 586146585 /nfs/dbraw/zinc/14/65/85/586146585.db2.gz MXULYSXVZVNADJ-JTQLQIEISA-N -1 3 237.299 2.626 20 0 BFADHM CSCC(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000800542229 586225188 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/nfs/dbraw/zinc/77/91/25/960779125.db2.gz GSRZCSZLFIYQNO-SKDRFNHKSA-N -1 3 239.265 2.655 20 0 BFADHM CC(C)/C=C/C(=O)Nc1ccc(F)c([O-])c1 ZINC001142660880 961554085 /nfs/dbraw/zinc/55/40/85/961554085.db2.gz HWTCYWUUUSJACM-ZZXKWVIFSA-N -1 3 223.247 2.682 20 0 BFADHM CC(=O)c1cccc([O-])c1NC(=O)CC(C)C ZINC001142710541 961671248 /nfs/dbraw/zinc/67/12/48/961671248.db2.gz XKWBRGBDBWQOBR-UHFFFAOYSA-N -1 3 235.283 2.579 20 0 BFADHM COc1cc(C)cc(Nc2cnc(C)[n-]c2=O)c1 ZINC001211726674 961720121 /nfs/dbraw/zinc/72/01/21/961720121.db2.gz QWLLXBLAHSDDAY-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM C=Cc1c[n-]c(=O)nc1O[C@@H](C)[C@@H](C)CC ZINC001227713849 963555104 /nfs/dbraw/zinc/55/51/04/963555104.db2.gz OTXOZPXJCTZCFD-IUCAKERBSA-N -1 3 222.288 2.639 20 0 BFADHM [O-]c1cc(Cl)cnc1O[C@@H]1C=CCCC1 ZINC001227981200 963646183 /nfs/dbraw/zinc/64/61/83/963646183.db2.gz UOXDWRBWMIUCOV-SECBINFHSA-N -1 3 225.675 2.928 20 0 BFADHM [O-]c1cc(Cl)c(CN2CCCO2)c(Cl)c1 ZINC001142106023 963677717 /nfs/dbraw/zinc/67/77/17/963677717.db2.gz WWGWKAQREXTLDT-UHFFFAOYSA-N -1 3 248.109 2.836 20 0 BFADHM C[C@@H]1CCCCC1=NNC(=O)c1ccc([O-])cc1 ZINC000005356336 963864334 /nfs/dbraw/zinc/86/43/34/963864334.db2.gz MCWMNRBIKCDPHE-SNVBAGLBSA-N -1 3 246.310 2.688 20 0 BFADHM Cc1nnc([N-]c2cccc(OC(F)F)c2)o1 ZINC001212053677 964173831 /nfs/dbraw/zinc/17/38/31/964173831.db2.gz FUKXOXXKKCNTRR-UHFFFAOYSA-N -1 3 241.197 2.723 20 0 BFADHM CSc1cc(C)ccc1[N-]C(=O)c1ccon1 ZINC001162052156 964845154 /nfs/dbraw/zinc/84/51/54/964845154.db2.gz DXSXFGYCKYFOSB-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM Cc1cc([O-])c(Cl)cc1O[C@H]1COC[C@@H]1C ZINC001233591117 965534114 /nfs/dbraw/zinc/53/41/14/965534114.db2.gz DHXJOEBXJSTOPY-UFBFGSQYSA-N -1 3 242.702 2.768 20 0 BFADHM [O-]c1coc2ccc(O[C@H]3C[C@H]4C=C[C@@H]3C4)cc12 ZINC001233677715 965558200 /nfs/dbraw/zinc/55/82/00/965558200.db2.gz NMPOETYUHROKTE-WMFXKJRFSA-N -1 3 242.274 2.605 20 0 BFADHM [O-]c1cc(Cl)cc(-c2cn3ccnc3cn2)c1 ZINC001235903239 966148576 /nfs/dbraw/zinc/14/85/76/966148576.db2.gz DTRBQIJPXGVACA-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(C)nc(-c2ccc([O-])cc2F)n1 ZINC000715443927 966869957 /nfs/dbraw/zinc/86/99/57/966869957.db2.gz NNBIORQOLHGUIK-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1cc(F)c(Nc2cnc[n-]c2=O)cc1F ZINC001249795147 967072109 /nfs/dbraw/zinc/07/21/09/967072109.db2.gz CXQFSRIPYOZEJG-UHFFFAOYSA-N -1 3 237.209 2.512 20 0 BFADHM O=C(Cc1cccc([O-])c1F)c1ccccc1 ZINC001249886353 967129205 /nfs/dbraw/zinc/12/92/05/967129205.db2.gz PNJWIQDQYNVCRS-UHFFFAOYSA-N -1 3 230.238 2.957 20 0 BFADHM O=c1[n-]cncc1Nc1cccc2ccoc21 ZINC001249914585 967153701 /nfs/dbraw/zinc/15/37/01/967153701.db2.gz GHIGKSDHSHTICR-UHFFFAOYSA-N -1 3 227.223 2.672 20 0 BFADHM CCn1nccc1Nc1cc(F)c([O-])c(F)c1 ZINC001205310420 967515666 /nfs/dbraw/zinc/51/56/66/967515666.db2.gz CYJUOYGYQMDXPV-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM Cc1nn(C)cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001240305865 967525728 /nfs/dbraw/zinc/52/57/28/967525728.db2.gz YUYBYZRCTVNUGH-UHFFFAOYSA-N -1 3 243.335 2.691 20 0 BFADHM CCn1nccc1Nc1cc(F)c([O-])cc1F ZINC001205317836 967537002 /nfs/dbraw/zinc/53/70/02/967537002.db2.gz MFMQZRDRCQBEGQ-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM CCn1nccc1Nc1cc(F)cc(F)c1[O-] ZINC001205330573 967549079 /nfs/dbraw/zinc/54/90/79/967549079.db2.gz GSHYMQZNYCKXQV-UHFFFAOYSA-N -1 3 239.225 2.630 20 0 BFADHM Cc1cccnc1-c1cccc([O-])c1F ZINC001250474050 967899776 /nfs/dbraw/zinc/89/97/76/967899776.db2.gz GBYCUDXALWQAQC-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM [O-]c1cc(-c2cccnc2F)ccc1F ZINC001250484010 967937140 /nfs/dbraw/zinc/93/71/40/967937140.db2.gz ZADIOYAXJFHSLF-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM C=Cc1cnc(-c2ccc([O-])cc2F)nc1 ZINC001206038022 968002759 /nfs/dbraw/zinc/00/27/59/968002759.db2.gz POJNEEGFDZGKEE-UHFFFAOYSA-N -1 3 216.215 2.631 20 0 BFADHM Cc1cnc(-c2ccc([O-])cc2F)nc1C ZINC001206044961 968007696 /nfs/dbraw/zinc/00/76/96/968007696.db2.gz VDPPRERWESAPLN-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM CCOc1cccnc1-c1ccc([O-])cc1F ZINC001206044084 968008419 /nfs/dbraw/zinc/00/84/19/968008419.db2.gz DHPVUGZLENOPHR-UHFFFAOYSA-N -1 3 233.242 2.992 20 0 BFADHM CCCc1cc(-c2ccc([O-])cc2F)ncn1 ZINC001206044070 968009546 /nfs/dbraw/zinc/00/95/46/968009546.db2.gz CNXJGPZGSVBYEC-UHFFFAOYSA-N -1 3 232.258 2.941 20 0 BFADHM CCCc1nccnc1-c1ccc([O-])cc1F ZINC001206044279 968010344 /nfs/dbraw/zinc/01/03/44/968010344.db2.gz HQFPYNLRHWELJJ-UHFFFAOYSA-N -1 3 232.258 2.941 20 0 BFADHM CC(C)n1cc(-c2ccc([O-])cc2F)cn1 ZINC001206051030 968020082 /nfs/dbraw/zinc/02/00/82/968020082.db2.gz FTLQCVXFJXZNIK-UHFFFAOYSA-N -1 3 220.247 2.976 20 0 BFADHM CSc1ncc(-c2ccc([O-])cc2F)cn1 ZINC001206057818 968023655 /nfs/dbraw/zinc/02/36/55/968023655.db2.gz PLHVIUUGQZIQCC-UHFFFAOYSA-N -1 3 236.271 2.710 20 0 BFADHM COc1ccc(-c2ccc([O-])cc2F)nc1F ZINC001206064607 968029098 /nfs/dbraw/zinc/02/90/98/968029098.db2.gz JPIBPQUQUXTWQC-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM COc1nccc(C)c1-c1ccc([O-])cc1F ZINC001206064704 968033916 /nfs/dbraw/zinc/03/39/16/968033916.db2.gz NXCGTFMYUYZGGT-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM CC(=O)Nc1cccnc1-c1ccc([O-])cc1F ZINC001206064951 968035550 /nfs/dbraw/zinc/03/55/50/968035550.db2.gz WJTRZHAGTPLWBB-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM NC(=O)c1ccccc1-c1ccc(Cl)cc1[O-] ZINC001250609688 968155821 /nfs/dbraw/zinc/15/58/21/968155821.db2.gz HBUKTTXHMDIZTN-UHFFFAOYSA-N -1 3 247.681 2.812 20 0 BFADHM Cc1cc(-c2ccc(F)c([O-])c2)ccn1 ZINC001250645939 968188676 /nfs/dbraw/zinc/18/86/76/968188676.db2.gz BVXQKAWBJGRPTH-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM CC(=O)c1ccc2[n-]c(-c3nc(C)co3)nc2c1 ZINC001251638148 968300113 /nfs/dbraw/zinc/30/01/13/968300113.db2.gz DWYNLOPHEHPIPU-UHFFFAOYSA-N -1 3 241.250 2.729 20 0 BFADHM CC(=O)c1ccc2nc(-c3nc(C)co3)[n-]c2c1 ZINC001251638148 968300123 /nfs/dbraw/zinc/30/01/23/968300123.db2.gz DWYNLOPHEHPIPU-UHFFFAOYSA-N -1 3 241.250 2.729 20 0 BFADHM CCCC[C@@H](O)CNc1cc([O-])c(F)cc1F ZINC001252095874 968576034 /nfs/dbraw/zinc/57/60/34/968576034.db2.gz AQTQUMPQEACAJH-MRVPVSSYSA-N -1 3 245.269 2.633 20 0 BFADHM CCCC[C@@H](O)CNc1ccc([O-])c(F)c1F ZINC001252096423 968576197 /nfs/dbraw/zinc/57/61/97/968576197.db2.gz BHECASCNXSRULU-MRVPVSSYSA-N -1 3 245.269 2.633 20 0 BFADHM [O-]c1ccc(-c2ccc3c(n2)CCOC3)cc1F ZINC001240783024 968682323 /nfs/dbraw/zinc/68/23/23/968682323.db2.gz MYJUZQJQSBDOLH-UHFFFAOYSA-N -1 3 245.253 2.666 20 0 BFADHM Cc1cnc(-c2ccc([O-])c(F)c2)c(C)n1 ZINC001240782549 968684001 /nfs/dbraw/zinc/68/40/01/968684001.db2.gz AABAJEPTDPWRRW-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM COc1ccc(-c2ccc([O-])c(F)c2)c(N)c1 ZINC001240787960 968689768 /nfs/dbraw/zinc/68/97/68/968689768.db2.gz VRDFEMDIUWFAOX-UHFFFAOYSA-N -1 3 233.242 2.789 20 0 BFADHM [O-]c1cc(F)c(-c2cc3nc[nH]c3cn2)c(F)c1 ZINC001241117366 968930099 /nfs/dbraw/zinc/93/00/99/968930099.db2.gz NCDXBJBKOYIHQO-UHFFFAOYSA-N -1 3 247.204 2.609 20 0 BFADHM [O-]c1cc(F)cc(-c2ncnc3ccoc32)c1 ZINC001241257162 968961624 /nfs/dbraw/zinc/96/16/24/968961624.db2.gz GPJPSPZGWSRBLL-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM CN1CC=C(Nc2ccccc2[S-])CC1 ZINC001208837100 969250292 /nfs/dbraw/zinc/25/02/92/969250292.db2.gz FVALWTWKJVAKRS-UHFFFAOYSA-N -1 3 220.341 2.607 20 0 BFADHM CCCc1nnc(-c2cc([O-])c(C)c(F)c2)o1 ZINC001254026635 969448990 /nfs/dbraw/zinc/44/89/90/969448990.db2.gz WRRLZPKSUMWPSB-UHFFFAOYSA-N -1 3 236.246 2.842 20 0 BFADHM [O-]c1cc(Cl)ccc1-n1cc(C2CC2)nn1 ZINC001254165041 969532742 /nfs/dbraw/zinc/53/27/42/969532742.db2.gz IQQMPIQPFJAMBF-UHFFFAOYSA-N -1 3 235.674 2.504 20 0 BFADHM [O-]c1cc(Nc2cnccn2)ccc1Cl ZINC001212588366 969561262 /nfs/dbraw/zinc/56/12/62/969561262.db2.gz MQMHEBRUSGQRJH-UHFFFAOYSA-N -1 3 221.647 2.579 20 0 BFADHM [O-]c1cc(F)c(F)cc1Nc1ncccc1F ZINC001209811837 969640899 /nfs/dbraw/zinc/64/08/99/969640899.db2.gz YQVIXIULBHDHEO-UHFFFAOYSA-N -1 3 240.184 2.948 20 0 BFADHM C=Cc1cccc(Nc2cnc(C)[n-]c2=O)c1 ZINC001209917369 969688175 /nfs/dbraw/zinc/68/81/75/969688175.db2.gz CHJYIMVPUUZAOT-UHFFFAOYSA-N -1 3 227.267 2.877 20 0 BFADHM COc1ccc([N-]c2nnco2)c2ccccc12 ZINC001209923729 969692868 /nfs/dbraw/zinc/69/28/68/969692868.db2.gz SWITXBAJSYXTBJ-UHFFFAOYSA-N -1 3 241.250 2.975 20 0 BFADHM CC(C)c1nnc([N-]c2ccc(F)cc2O)o1 ZINC001210014751 969755990 /nfs/dbraw/zinc/75/59/90/969755990.db2.gz LBUKNZUMGJUZOH-UHFFFAOYSA-N -1 3 237.234 2.781 20 0 BFADHM Cc1coc(Nc2ccc(F)cc2[O-])n1 ZINC001210014896 969756580 /nfs/dbraw/zinc/75/65/80/969756580.db2.gz QDPDHYHMIABSQF-UHFFFAOYSA-N -1 3 208.192 2.571 20 0 BFADHM Cc1cncnc1Nc1ccc(Cl)c([O-])c1 ZINC001212591447 969760979 /nfs/dbraw/zinc/76/09/79/969760979.db2.gz NDAQSWRTIAPLGC-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM COc1nonc1[N-]c1ccccc1OC(C)C ZINC001210021003 969762782 /nfs/dbraw/zinc/76/27/82/969762782.db2.gz SOZGGMLHZNTDES-UHFFFAOYSA-N -1 3 249.270 2.609 20 0 BFADHM COc1cc(Nc2cccc(Cl)c2[O-])no1 ZINC001210216251 969834808 /nfs/dbraw/zinc/83/48/08/969834808.db2.gz SBKMRHUKWLJTMK-UHFFFAOYSA-N -1 3 240.646 2.786 20 0 BFADHM [O-]c1c(Cl)cccc1Nc1ncccn1 ZINC001210216088 969836121 /nfs/dbraw/zinc/83/61/21/969836121.db2.gz BVNJGTRTDWHMKD-UHFFFAOYSA-N -1 3 221.647 2.579 20 0 BFADHM Cc1cnc(Cl)cc1NCc1ncccc1[O-] ZINC001169732791 969837063 /nfs/dbraw/zinc/83/70/63/969837063.db2.gz LKASAJFMBPCWIY-UHFFFAOYSA-N -1 3 249.701 2.756 20 0 BFADHM [O-]c1ccc(-c2cc(F)ccn2)c(F)c1 ZINC001206020953 969864765 /nfs/dbraw/zinc/86/47/65/969864765.db2.gz BIOKVBCCCRCFQV-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCc1nnc(-c2ccc([O-])c3ncccc23)o1 ZINC001255072713 969871177 /nfs/dbraw/zinc/87/11/77/969871177.db2.gz CQIXYQMCULOHPG-UHFFFAOYSA-N -1 3 241.250 2.553 20 0 BFADHM COc1c(F)cccc1[N-]c1nonc1C1CC1 ZINC001210404293 969884792 /nfs/dbraw/zinc/88/47/92/969884792.db2.gz PLBOURJJEMJCGZ-UHFFFAOYSA-N -1 3 249.245 2.838 20 0 BFADHM COc1nonc1[N-]c1cc(C)cc(Cl)c1 ZINC001210462576 969893631 /nfs/dbraw/zinc/89/36/31/969893631.db2.gz KEEFYRXJTWERCW-UHFFFAOYSA-N -1 3 239.662 2.784 20 0 BFADHM [O-]c1cccc(Nc2ncco2)c1Cl ZINC001210844836 970053325 /nfs/dbraw/zinc/05/33/25/970053325.db2.gz MXHNBUXVSYUVSP-UHFFFAOYSA-N -1 3 210.620 2.777 20 0 BFADHM [O-]c1cccc2sc(Nc3ccncn3)nc21 ZINC001211023312 970119004 /nfs/dbraw/zinc/11/90/04/970119004.db2.gz SCQHQJDRGQYTFN-UHFFFAOYSA-N -1 3 244.279 2.536 20 0 BFADHM C=C(c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001242893768 970130103 /nfs/dbraw/zinc/13/01/03/970130103.db2.gz XBPRTEZMLRLLTB-UHFFFAOYSA-N -1 3 248.289 2.928 20 0 BFADHM C=C(c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001242893768 970130106 /nfs/dbraw/zinc/13/01/06/970130106.db2.gz XBPRTEZMLRLLTB-UHFFFAOYSA-N -1 3 248.289 2.928 20 0 BFADHM COc1ccc([N-]c2nnc(C(C)C)o2)c(C)n1 ZINC001211039365 970131426 /nfs/dbraw/zinc/13/14/26/970131426.db2.gz IKMIBGHXYNFDOS-UHFFFAOYSA-N -1 3 248.286 2.649 20 0 BFADHM Cc1cc(N(C)C)ncc1-c1ccc(F)c([O-])c1 ZINC001243047209 970205096 /nfs/dbraw/zinc/20/50/96/970205096.db2.gz FDOUKROHQJNSEP-UHFFFAOYSA-N -1 3 246.285 2.968 20 0 BFADHM Cc1c[nH]c2ncnc(-c3ccc(F)c([O-])c3)c12 ZINC001243050214 970206836 /nfs/dbraw/zinc/20/68/36/970206836.db2.gz VSXRBMZGAIIEQV-UHFFFAOYSA-N -1 3 243.241 2.730 20 0 BFADHM Cc1nsc([N-]c2cnccc2C2CC2)n1 ZINC001213867018 970390285 /nfs/dbraw/zinc/39/02/85/970390285.db2.gz WRUOZPICXGIBOW-UHFFFAOYSA-N -1 3 232.312 2.863 20 0 BFADHM Cc1nc(Nc2cnccc2C2CC2)cc(=O)[n-]1 ZINC001213869361 970396435 /nfs/dbraw/zinc/39/64/35/970396435.db2.gz RFWXPYOLTKFNIV-UHFFFAOYSA-N -1 3 242.282 2.507 20 0 BFADHM COc1ccc(-c2ccc([O-])cc2F)nc1OC ZINC001206037746 970402292 /nfs/dbraw/zinc/40/22/92/970402292.db2.gz NSTKECAEZLUSDI-UHFFFAOYSA-N -1 3 249.241 2.611 20 0 BFADHM Cc1ccc([N-]c2nnc(C(C)C)o2)c(N)c1 ZINC001214175766 970449776 /nfs/dbraw/zinc/44/97/76/970449776.db2.gz HLMGJWZCOIGIQR-UHFFFAOYSA-N -1 3 232.287 2.827 20 0 BFADHM CC(=O)c1cc([N-]c2nc(C)ns2)cs1 ZINC001214771179 970535443 /nfs/dbraw/zinc/53/54/43/970535443.db2.gz AXNDJYHGTDSXFG-UHFFFAOYSA-N -1 3 239.325 2.854 20 0 BFADHM COCc1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206044693 970657987 /nfs/dbraw/zinc/65/79/87/970657987.db2.gz RYCGEZKARZLOEM-UHFFFAOYSA-N -1 3 233.242 2.740 20 0 BFADHM CN(Cc1cc(C(=O)[O-])ccc1F)C(C)(C)C ZINC000394329898 972701949 /nfs/dbraw/zinc/70/19/49/972701949.db2.gz PNMILNSLFPHMNR-UHFFFAOYSA-N -1 3 239.290 2.754 20 0 BFADHM O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nc1cncc([O-])c1 ZINC001144290416 972751822 /nfs/dbraw/zinc/75/18/22/972751822.db2.gz XKAJIKIYVUJBBW-VWYCJHECSA-N -1 3 246.310 2.552 20 0 BFADHM CCCN(C)Cc1cc(F)c([O-])cc1F ZINC001144646529 972903404 /nfs/dbraw/zinc/90/34/04/972903404.db2.gz ABSPUJKVYBTGJB-UHFFFAOYSA-N -1 3 215.243 2.512 20 0 BFADHM CC(C)O[N-]C(=O)CC1(C)CCCCC1 ZINC001328151103 972887435 /nfs/dbraw/zinc/88/74/35/972887435.db2.gz MDHUCIKISJPEHP-UHFFFAOYSA-N -1 3 213.321 2.803 20 0 BFADHM Cc1cccc([O-])c1C(=O)N[C@@H]1C=CCCC1 ZINC001328901018 973388286 /nfs/dbraw/zinc/38/82/86/973388286.db2.gz MLPNEDOBZOCYDA-LLVKDONJSA-N -1 3 231.295 2.539 20 0 BFADHM Fc1cccc2c1CC[C@@H](NC1=CC=C[CH]1)C2 ZINC001171408146 974010694 /nfs/dbraw/zinc/01/06/94/974010694.db2.gz KGJSSEVKKVAIJP-CYBMUJFWSA-N -1 3 228.290 2.931 20 0 BFADHM Fc1cccc2c1C[C@@H](NC1=CC=C[CH]1)C2 ZINC001171783144 974172968 /nfs/dbraw/zinc/17/29/68/974172968.db2.gz LAMKYLLBEIPQAY-LBPRGKRZSA-N -1 3 214.263 2.540 20 0 BFADHM C[C@H]1CCC[C@H]1Oc1ccc2c([O-])coc2c1 ZINC001225339976 974416128 /nfs/dbraw/zinc/41/61/28/974416128.db2.gz YEBCFFVZFXMMJG-TVQRCGJNSA-N -1 3 232.279 2.829 20 0 BFADHM C[C@@H](Oc1ccc2c([O-])coc2c1)C1CCC1 ZINC001225342431 974418213 /nfs/dbraw/zinc/41/82/13/974418213.db2.gz IGENRBASHCKOIU-SECBINFHSA-N -1 3 232.279 2.829 20 0 BFADHM C[C@@H](Oc1ccc2c([O-])coc2c1)C(F)(F)F ZINC001225341431 974418533 /nfs/dbraw/zinc/41/85/33/974418533.db2.gz AAYVTJACHSEMFP-ZCFIWIBFSA-N -1 3 246.184 2.591 20 0 BFADHM Cc1cnc(=S)[n-]c1O[C@H]1CCC(F)(F)C1 ZINC001225740394 974664572 /nfs/dbraw/zinc/66/45/72/974664572.db2.gz FLGWKAFZQXIDNZ-ZETCQYMHSA-N -1 3 246.282 2.640 20 0 BFADHM CC(=O)c1ccc([O-])c(O[C@H](C)C(F)(F)F)c1 ZINC001225998488 974757123 /nfs/dbraw/zinc/75/71/23/974757123.db2.gz 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Cc1ncc(Nc2cccc([O-])c2Cl)cn1 ZINC001176396726 978075942 /nfs/dbraw/zinc/07/59/42/978075942.db2.gz XOGBOWFLAITKHO-UHFFFAOYSA-N -1 3 235.674 2.888 20 0 BFADHM CCc1nc([C@@H](C)[N-]c2nc(C)no2)cs1 ZINC001337034363 978136854 /nfs/dbraw/zinc/13/68/54/978136854.db2.gz QIKHZFOUEPNQBE-ZCFIWIBFSA-N -1 3 238.316 2.570 20 0 BFADHM C[C@@H]1CCCN(Cc2cc([O-])c(F)c(F)c2)C1 ZINC001232968008 978370176 /nfs/dbraw/zinc/37/01/76/978370176.db2.gz DWRTYNGUZCEGKQ-SECBINFHSA-N -1 3 241.281 2.902 20 0 BFADHM [O-]c1cc(CN2C[C@H]3CC[C@@H]2C3)cc(F)c1F ZINC001232973439 978375677 /nfs/dbraw/zinc/37/56/77/978375677.db2.gz YCIJPRVXRMHQLY-WCBMZHEXSA-N -1 3 239.265 2.655 20 0 BFADHM CC(C)(C)c1nc([N-]c2ccccc2N)no1 ZINC001206307780 978398272 /nfs/dbraw/zinc/39/82/72/978398272.db2.gz CGBCAZRMWFAODE-UHFFFAOYSA-N -1 3 232.287 2.693 20 0 BFADHM [O-]c1cccc(CN2CC3(C2)CCCC3)c1F ZINC001233051792 978450925 /nfs/dbraw/zinc/45/09/25/978450925.db2.gz UTONPPMLALVRGY-UHFFFAOYSA-N -1 3 235.302 2.907 20 0 BFADHM CC[C@H](CC(F)(F)F)Nc1nc(C)cc(=O)[n-]1 ZINC001337931551 978568785 /nfs/dbraw/zinc/56/87/85/978568785.db2.gz MINMNSRFEQQIPB-SSDOTTSWSA-N -1 3 249.236 2.634 20 0 BFADHM CC[C@@H](CC(F)(F)F)Nc1nc(C)cc(=O)[n-]1 ZINC001337931552 978569507 /nfs/dbraw/zinc/56/95/07/978569507.db2.gz MINMNSRFEQQIPB-ZETCQYMHSA-N -1 3 249.236 2.634 20 0 BFADHM C/C=C(C)/C=C/C(=O)Nc1ccc(F)c([O-])c1 ZINC001178512657 978580954 /nfs/dbraw/zinc/58/09/54/978580954.db2.gz PBEQVQQFYFDNFJ-LILNVKPRSA-N -1 3 235.258 2.992 20 0 BFADHM Cc1cc(CN2CCC23CCCC3)[nH]c1C(=O)[O-] ZINC001600192702 978669907 /nfs/dbraw/zinc/66/99/07/978669907.db2.gz HBKNVNGMKDJEQJ-UHFFFAOYSA-N -1 3 248.326 2.540 20 0 BFADHM C[C@@H]1CC[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233678605 978671761 /nfs/dbraw/zinc/67/17/61/978671761.db2.gz VWENHTSPHNWPNX-NXEZZACHSA-N -1 3 232.279 2.829 20 0 BFADHM [O-]c1cccc(OC[C@H]2CCC=CO2)c1F ZINC001233868321 978717079 /nfs/dbraw/zinc/71/70/79/978717079.db2.gz PWMNYSWZRBZDKR-SECBINFHSA-N -1 3 224.231 2.603 20 0 BFADHM CCOCCc1cccc(Cl)c1[O-] ZINC001249942495 978743854 /nfs/dbraw/zinc/74/38/54/978743854.db2.gz JZADLERTKKWITB-UHFFFAOYSA-N -1 3 200.665 2.625 20 0 BFADHM CCOC[C@H](C)Oc1c(Cl)ccc([O-])c1F ZINC001234264134 978805229 /nfs/dbraw/zinc/80/52/29/978805229.db2.gz NLLOMFMNQPZYNM-ZETCQYMHSA-N -1 3 248.681 2.989 20 0 BFADHM [O-]c1cc(Cl)cc(F)c1O[C@@H]1CCCOC1 ZINC001234443270 978836265 /nfs/dbraw/zinc/83/62/65/978836265.db2.gz FIISRNGVJUIXRS-MRVPVSSYSA-N -1 3 246.665 2.743 20 0 BFADHM CCO[C@H](C)COc1c([O-])cc(Cl)cc1F ZINC001234444686 978836333 /nfs/dbraw/zinc/83/63/33/978836333.db2.gz SVAKCMNVDLPZSE-SSDOTTSWSA-N -1 3 248.681 2.989 20 0 BFADHM C[C@H]1CCC[C@@H]1Oc1nc2c(cccc2[O-])[nH]1 ZINC001234449184 978838329 /nfs/dbraw/zinc/83/83/29/978838329.db2.gz IYOBUUZWPFACMC-KWQFWETISA-N -1 3 232.283 2.836 20 0 BFADHM CC(C)[C@@H](C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234446762 978839907 /nfs/dbraw/zinc/83/99/07/978839907.db2.gz HPTNGLHVVXFODU-MRVPVSSYSA-N -1 3 220.272 2.692 20 0 BFADHM O=C(CCC(F)=C(F)F)Nc1cncc([O-])c1 ZINC001180273577 978852154 /nfs/dbraw/zinc/85/21/54/978852154.db2.gz AUFKMFSEFKTUKK-UHFFFAOYSA-N -1 3 246.188 2.584 20 0 BFADHM CC(C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234689337 978897076 /nfs/dbraw/zinc/89/70/76/978897076.db2.gz QFMNCSAZLHFTTF-UHFFFAOYSA-N -1 3 230.267 2.636 20 0 BFADHM O=c1[n-]cnc(OC2CCC2)c1-c1ccccc1 ZINC001234688776 978898039 /nfs/dbraw/zinc/89/80/39/978898039.db2.gz JUIUERILZTZOMO-UHFFFAOYSA-N -1 3 242.278 2.781 20 0 BFADHM c1cc2nc(OC3CCSCC3)[n-]c2s1 ZINC001234852389 978916777 /nfs/dbraw/zinc/91/67/77/978916777.db2.gz VOVBGGVNYNBPBK-UHFFFAOYSA-N -1 3 240.353 2.899 20 0 BFADHM c1cc2[n-]c(OC3CCSCC3)nc2s1 ZINC001234852389 978916779 /nfs/dbraw/zinc/91/67/79/978916779.db2.gz VOVBGGVNYNBPBK-UHFFFAOYSA-N -1 3 240.353 2.899 20 0 BFADHM c1cc2nc(OC3CCCC3)[n-]c2s1 ZINC001234848533 978917259 /nfs/dbraw/zinc/91/72/59/978917259.db2.gz QPAIUCVHAKNRIZ-UHFFFAOYSA-N -1 3 208.286 2.946 20 0 BFADHM c1cc2[n-]c(OC3CCCC3)nc2s1 ZINC001234848533 978917262 /nfs/dbraw/zinc/91/72/62/978917262.db2.gz QPAIUCVHAKNRIZ-UHFFFAOYSA-N -1 3 208.286 2.946 20 0 BFADHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)C(C)C ZINC001181492093 979120804 /nfs/dbraw/zinc/12/08/04/979120804.db2.gz BVSMFRHKFWJXRB-SECBINFHSA-N -1 3 249.310 2.825 20 0 BFADHM [O-]c1cc(Cl)cc(-c2ncnc3c2CCC3)c1 ZINC001235898896 979187946 /nfs/dbraw/zinc/18/79/46/979187946.db2.gz FSSZFTOGAXFWMF-UHFFFAOYSA-N -1 3 246.697 2.991 20 0 BFADHM COc1cc(-c2cc([O-])cc(Cl)c2)ncn1 ZINC001235899253 979188272 /nfs/dbraw/zinc/18/82/72/979188272.db2.gz HDIINFHUFZCQOZ-UHFFFAOYSA-N -1 3 236.658 2.511 20 0 BFADHM [O-]c1cc(Cl)cc(-c2cccn3cnnc23)c1 ZINC001235904497 979196836 /nfs/dbraw/zinc/19/68/36/979196836.db2.gz UPSOOXBJGWSEBK-UHFFFAOYSA-N -1 3 245.669 2.755 20 0 BFADHM Cc1cc(-c2cc([O-])cc(Cl)c2)c(=O)n(C)c1 ZINC001235910178 979204195 /nfs/dbraw/zinc/20/41/95/979204195.db2.gz XPZSRNHVNBJYDV-UHFFFAOYSA-N -1 3 249.697 2.720 20 0 BFADHM O=C(Nc1cncc([O-])c1)[C@H]1CC12CCCCC2 ZINC001181903961 979364446 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20 0 BFADHM [O-]c1ccc(-c2cccn3cncc23)cc1F ZINC001240787519 981831726 /nfs/dbraw/zinc/83/17/26/981831726.db2.gz JERGMBDBLQZNBW-UHFFFAOYSA-N -1 3 228.226 2.846 20 0 BFADHM [O-]c1ccc(-c2cnc3ocnc3c2)cc1F ZINC001240787073 981833487 /nfs/dbraw/zinc/83/34/87/981833487.db2.gz KDBVKDIWWHEHHF-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM CC[C@H]1CCCC[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001350018581 981847917 /nfs/dbraw/zinc/84/79/17/981847917.db2.gz OWRRGTMSVKJNFJ-DTWKUNHWSA-N -1 3 237.265 2.881 20 0 BFADHM Cc1c[nH]c2ncc(-c3ccc(=S)[n-]n3)cc12 ZINC001240950683 982023472 /nfs/dbraw/zinc/02/34/72/982023472.db2.gz JRDATSVJRCCCGX-UHFFFAOYSA-N -1 3 242.307 2.617 20 0 BFADHM Cc1ccc(F)c(-c2ccccc2[O-])n1 ZINC001241002074 982085148 /nfs/dbraw/zinc/08/51/48/982085148.db2.gz RIYBLXWTHCCCTR-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM COC(=O)c1c(C)ccnc1-c1ccccc1[O-] ZINC001241003140 982089407 /nfs/dbraw/zinc/08/94/07/982089407.db2.gz IFPQBAOQKHWZRE-UHFFFAOYSA-N -1 3 243.262 2.549 20 0 BFADHM 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ZINC001203240394 982358544 /nfs/dbraw/zinc/35/85/44/982358544.db2.gz SDEWNBRTNYXWTF-UHFFFAOYSA-N -1 3 210.620 2.777 20 0 BFADHM CCc1nccnc1-c1cc([O-])cc(F)c1 ZINC001241256100 982391063 /nfs/dbraw/zinc/39/10/63/982391063.db2.gz NIHRRWUXAWDGIV-UHFFFAOYSA-N -1 3 218.231 2.551 20 0 BFADHM [O-]c1cc(F)cc(-c2ccnc(C3CC3)n2)c1 ZINC001241255770 982391850 /nfs/dbraw/zinc/39/18/50/982391850.db2.gz CUBHCKMUMYRWRA-UHFFFAOYSA-N -1 3 230.242 2.866 20 0 BFADHM [O-]c1cc(F)cc(-c2nccnc2C(F)F)c1 ZINC001241261894 982397932 /nfs/dbraw/zinc/39/79/32/982397932.db2.gz SUWLTNXKXKYQPA-UHFFFAOYSA-N -1 3 240.184 2.926 20 0 BFADHM CCc1ncc(F)c(-c2cc([O-])cc(F)c2)n1 ZINC001241261184 982397941 /nfs/dbraw/zinc/39/79/41/982397941.db2.gz GKPRTSKGYVDCPW-UHFFFAOYSA-N -1 3 236.221 2.690 20 0 BFADHM O=C1Cc2cc(-c3cc([O-])cc(F)c3)ccc2N1 ZINC001241265984 982400835 /nfs/dbraw/zinc/40/08/35/982400835.db2.gz AHGNVMSZNIGQOE-UHFFFAOYSA-N -1 3 243.237 2.693 20 0 BFADHM [O-]c1cc(F)cc(-c2ccnc(F)c2F)c1 ZINC001241270875 982403396 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/nfs/dbraw/zinc/87/49/76/982874976.db2.gz VAXXSEHZVKZKQK-UHFFFAOYSA-N -1 3 243.314 2.564 20 0 BFADHM CC(C)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589729732 982874977 /nfs/dbraw/zinc/87/49/77/982874977.db2.gz VAXXSEHZVKZKQK-UHFFFAOYSA-N -1 3 243.314 2.564 20 0 BFADHM c1cc(-c2nnn[n-]2)cc(C2=CCCCC2)c1 ZINC001241716504 982983272 /nfs/dbraw/zinc/98/32/72/982983272.db2.gz IQYPDTQXSCKWKH-UHFFFAOYSA-N -1 3 226.283 2.824 20 0 BFADHM c1cc(-c2nn[n-]n2)cc(C2=CCCCC2)c1 ZINC001241716504 982983289 /nfs/dbraw/zinc/98/32/89/982983289.db2.gz IQYPDTQXSCKWKH-UHFFFAOYSA-N -1 3 226.283 2.824 20 0 BFADHM CC(C)Nc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001201491114 983258543 /nfs/dbraw/zinc/25/85/43/983258543.db2.gz MLWIRKOUQXXQDO-UHFFFAOYSA-N -1 3 244.298 2.746 20 0 BFADHM c1cc(-c2nnn[n-]2)ccc1SCCC1CC1 ZINC001593550394 983299871 /nfs/dbraw/zinc/29/98/71/983299871.db2.gz TWSRIUBLJRNURJ-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM c1cc(-c2nn[n-]n2)ccc1SCCC1CC1 ZINC001593550394 983299880 /nfs/dbraw/zinc/29/98/80/983299880.db2.gz TWSRIUBLJRNURJ-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM O=C1CCc2cccc(Nc3cncc([O-])c3)c21 ZINC001201641271 983395307 /nfs/dbraw/zinc/39/53/07/983395307.db2.gz FWHVUBDTQOSHNM-UHFFFAOYSA-N -1 3 240.262 2.660 20 0 BFADHM [O-]c1cccc(Nc2cncc(O)c2)c1Cl ZINC001201642031 983396811 /nfs/dbraw/zinc/39/68/11/983396811.db2.gz ZLWBKESFDPWSOG-UHFFFAOYSA-N -1 3 236.658 2.890 20 0 BFADHM [O-]c1cc(F)ccc1-c1cnc2ncoc2c1 ZINC001242217447 983416332 /nfs/dbraw/zinc/41/63/32/983416332.db2.gz BPMTUYUOVRMFAQ-UHFFFAOYSA-N -1 3 230.198 2.735 20 0 BFADHM [O-]c1cc(F)ccc1-c1ccc(F)nc1 ZINC001242218190 983418761 /nfs/dbraw/zinc/41/87/61/983418761.db2.gz XCKRVOZQPLWTEM-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1cc(C)ncc1-c1ccc(F)cc1[O-] ZINC001242218740 983418780 /nfs/dbraw/zinc/41/87/80/983418780.db2.gz NQMCDYVHICDFHF-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM CCCC=Cc1ccccc1-c1nnn[n-]1 ZINC001242255004 983479594 /nfs/dbraw/zinc/47/95/94/983479594.db2.gz OGODMDWZFUDGEW-QPJJXVBHSA-N -1 3 214.272 2.680 20 0 BFADHM CCCC=Cc1ccccc1-c1nn[n-]n1 ZINC001242255004 983479600 /nfs/dbraw/zinc/47/96/00/983479600.db2.gz OGODMDWZFUDGEW-QPJJXVBHSA-N -1 3 214.272 2.680 20 0 BFADHM Cc1nc2[nH]cnc2cc1-c1cccc(F)c1[O-] ZINC001242350614 983614483 /nfs/dbraw/zinc/61/44/83/983614483.db2.gz INRKKBMKOXGNOP-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM [O-]c1c(F)cccc1-c1nccc2c1CCN2 ZINC001242349821 983617405 /nfs/dbraw/zinc/61/74/05/983617405.db2.gz UOAPGSOGIZJCEX-UHFFFAOYSA-N -1 3 230.242 2.561 20 0 BFADHM CC(C)n1ccc(-c2cccc(F)c2[O-])cc1=O ZINC001242352557 983627269 /nfs/dbraw/zinc/62/72/69/983627269.db2.gz YWORUPXPTRJQBQ-UHFFFAOYSA-N -1 3 247.269 2.941 20 0 BFADHM O=C([N-]c1cnoc1)c1nccc2ccsc21 ZINC001357928641 983805217 /nfs/dbraw/zinc/80/52/17/983805217.db2.gz CEODQIMCMXGKPS-UHFFFAOYSA-N -1 3 245.263 2.537 20 0 BFADHM [O-]c1cccc(-c2ccc3n[nH]nc3c2)c1Cl ZINC001242800958 984170066 /nfs/dbraw/zinc/17/00/66/984170066.db2.gz VEMWIRWNERONFB-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM Cc1ncccc1-c1ccc(F)c([O-])c1 ZINC001243049002 984377415 /nfs/dbraw/zinc/37/74/15/984377415.db2.gz ODORFWWJXDQLRU-UHFFFAOYSA-N -1 3 203.216 2.902 20 0 BFADHM COc1ccc(-c2ccc(F)c([O-])c2)nc1C ZINC001243048306 984393730 /nfs/dbraw/zinc/39/37/30/984393730.db2.gz VLJIFVSMSAJMMQ-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1cnc(C)nc1-c1ccc(F)c([O-])c1 ZINC001243048796 984396412 /nfs/dbraw/zinc/39/64/12/984396412.db2.gz ONJSIJCAICSCKG-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1cc(C)c(-c2ccc(F)c([O-])c2)nn1 ZINC001243050374 984399385 /nfs/dbraw/zinc/39/93/85/984399385.db2.gz YUCZAAIRJBCRJK-UHFFFAOYSA-N -1 3 218.231 2.605 20 0 BFADHM Cc1cc(-c2ccc(F)c([O-])c2)nc2[nH]cnc21 ZINC001243049234 984400415 /nfs/dbraw/zinc/40/04/15/984400415.db2.gz SJGAWOPRAIQRLW-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM [O-]c1cc(-c2cc(F)ccn2)ccc1F ZINC001243049418 984403796 /nfs/dbraw/zinc/40/37/96/984403796.db2.gz SZAZSHVZOFRXEJ-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM COc1cc(-c2ccc(F)c([O-])c2)ncc1F ZINC001243050503 984414214 /nfs/dbraw/zinc/41/42/14/984414214.db2.gz VIXXWNKDEMJQDR-UHFFFAOYSA-N -1 3 237.205 2.741 20 0 BFADHM Cc1occc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001243060971 984436823 /nfs/dbraw/zinc/43/68/23/984436823.db2.gz AUKOEKVLFAIZGD-UHFFFAOYSA-N -1 3 244.229 2.574 20 0 BFADHM Cc1occc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001243060971 984436838 /nfs/dbraw/zinc/43/68/38/984436838.db2.gz AUKOEKVLFAIZGD-UHFFFAOYSA-N -1 3 244.229 2.574 20 0 BFADHM Nc1ccnc(-c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001243323186 984829509 /nfs/dbraw/zinc/82/95/09/984829509.db2.gz WCXITECISDLNAE-UHFFFAOYSA-N -1 3 248.669 2.682 20 0 BFADHM [O-]c1ccc(-c2cccc3cncn32)c(F)c1F ZINC001243342826 984833821 /nfs/dbraw/zinc/83/38/21/984833821.db2.gz LBTXHVGMEAAPIG-UHFFFAOYSA-N -1 3 246.216 2.985 20 0 BFADHM CC=CC=CC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001450606895 984874735 /nfs/dbraw/zinc/87/47/35/984874735.db2.gz KTYDOURXDCRUFY-PRKJJMSOSA-N -1 3 245.278 2.666 20 0 BFADHM [O-]c1c(F)cc(F)cc1-c1nccc2c1CCN2 ZINC001243499886 985054406 /nfs/dbraw/zinc/05/44/06/985054406.db2.gz HOCSDWJPYSVQQL-UHFFFAOYSA-N -1 3 248.232 2.700 20 0 BFADHM C/C(=C\C=C\N)c1cc(F)cc(F)c1[O-] ZINC001243502712 985062268 /nfs/dbraw/zinc/06/22/68/985062268.db2.gz PFCTUWCRGNIDHG-JKEDICHKSA-N -1 3 211.211 2.546 20 0 BFADHM CC(C)Oc1ccc(-c2cccc([O-])c2F)nn1 ZINC001243541794 985073708 /nfs/dbraw/zinc/07/37/08/985073708.db2.gz IAZYLLCWFYSFPC-UHFFFAOYSA-N -1 3 248.257 2.776 20 0 BFADHM CN(C)c1cccc(-c2cccc([O-])c2F)n1 ZINC001243542574 985074460 /nfs/dbraw/zinc/07/44/60/985074460.db2.gz KRHCAVJVGBZYIY-UHFFFAOYSA-N -1 3 232.258 2.659 20 0 BFADHM NC(=S)c1ccc(-c2cccc([O-])c2F)cc1 ZINC001243545306 985082295 /nfs/dbraw/zinc/08/22/95/985082295.db2.gz CRPCOCRUDZAXBA-UHFFFAOYSA-N -1 3 247.294 2.833 20 0 BFADHM CC(=O)Nc1ccc(-c2cccc([O-])c2F)nc1 ZINC001243544451 985082506 /nfs/dbraw/zinc/08/25/06/985082506.db2.gz QFYDOAQOAPHQDK-UHFFFAOYSA-N -1 3 246.241 2.552 20 0 BFADHM COc1cc(-c2cccc([O-])c2F)cnc1OC 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985177741 /nfs/dbraw/zinc/17/77/41/985177741.db2.gz VGANWDMNLADIAL-DMDPSCGWSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)c([O-])c1 ZINC001457010233 985180122 /nfs/dbraw/zinc/18/01/22/985180122.db2.gz VGANWDMNLADIAL-NTZNESFSSA-N -1 3 245.322 2.619 20 0 BFADHM C[C@H]1CCC[C@H](CC[N-]C(=O)C(F)(F)F)C1 ZINC000078831641 985628255 /nfs/dbraw/zinc/62/82/55/985628255.db2.gz YSJOSTYONNNPJY-DTWKUNHWSA-N -1 3 237.265 2.881 20 0 BFADHM Cc1ncncc1-c1c([O-])cccc1Cl ZINC001244050053 985784378 /nfs/dbraw/zinc/78/43/78/985784378.db2.gz JAAFTHQTQWFDJC-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM CC1=CCCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000689082803 985799708 /nfs/dbraw/zinc/79/97/08/985799708.db2.gz HYEDFFREOHRKMX-UHFFFAOYSA-N -1 3 237.324 2.598 20 0 BFADHM Cc1nc(N)ccc1-c1cc(F)c([O-])c(F)c1 ZINC001244096981 985807489 /nfs/dbraw/zinc/80/74/89/985807489.db2.gz LPQTVYMZISSYDR-UHFFFAOYSA-N -1 3 236.221 2.623 20 0 BFADHM Cc1ccc([O-])c(-c2nncc3ccoc32)c1 ZINC001244402998 986066234 /nfs/dbraw/zinc/06/62/34/986066234.db2.gz LGTQKRUEYUGETO-UHFFFAOYSA-N -1 3 226.235 2.904 20 0 BFADHM [O-]c1cc(Cl)ccc1-c1c[nH]cc2ncnc1-2 ZINC001244469264 986147433 /nfs/dbraw/zinc/14/74/33/986147433.db2.gz DOCRYOPVPSEECZ-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM Cc1cc(-c2ncc3c(n2)CCC3)cc([O-])c1F ZINC001244505450 986202491 /nfs/dbraw/zinc/20/24/91/986202491.db2.gz FSTDFFGZILRTJH-UHFFFAOYSA-N -1 3 244.269 2.785 20 0 BFADHM Cc1cc(-c2ncc(F)c(C)n2)cc([O-])c1F ZINC001244505749 986206197 /nfs/dbraw/zinc/20/61/97/986206197.db2.gz JDNIZWRNMOEIIG-UHFFFAOYSA-N -1 3 236.221 2.744 20 0 BFADHM CCc1cnc(-c2cc(C)c(F)c([O-])c2)nc1 ZINC001244496902 986207821 /nfs/dbraw/zinc/20/78/21/986207821.db2.gz YFXQECOLRFHTHV-UHFFFAOYSA-N -1 3 232.258 2.859 20 0 BFADHM Cc1cc(-c2nccs2)cc([O-])c1F ZINC001244519344 986214091 /nfs/dbraw/zinc/21/40/91/986214091.db2.gz YVFOXMPYZVAWIU-UHFFFAOYSA-N -1 3 209.245 2.963 20 0 BFADHM CCn1ccc(-c2cc(C)c(F)c([O-])c2)cc1=O ZINC001244524424 986229607 /nfs/dbraw/zinc/22/96/07/986229607.db2.gz DVVSGPCLFVFPFQ-UHFFFAOYSA-N -1 3 247.269 2.688 20 0 BFADHM Cc1cc(-c2ccnc(N)c2)cc(Cl)c1[O-] ZINC001244538861 986232168 /nfs/dbraw/zinc/23/21/68/986232168.db2.gz YRTMTFVTKHKUCB-UHFFFAOYSA-N -1 3 234.686 2.998 20 0 BFADHM COc1ncncc1-c1cc(Cl)ccc1[O-] ZINC001245051847 986613858 /nfs/dbraw/zinc/61/38/58/986613858.db2.gz ITURWWKLMSXQBM-UHFFFAOYSA-N -1 3 236.658 2.511 20 0 BFADHM [O-]c1ccc(-c2ncnc3[nH]ccc32)c(Cl)c1 ZINC001245079934 986645002 /nfs/dbraw/zinc/64/50/02/986645002.db2.gz FPIMWFRJNJUGLK-UHFFFAOYSA-N -1 3 245.669 2.936 20 0 BFADHM Cc1cncc(-c2ccc([O-])cc2Cl)n1 ZINC001245081830 986645756 /nfs/dbraw/zinc/64/57/56/986645756.db2.gz MMXMWZRCHPUSNF-UHFFFAOYSA-N -1 3 220.659 2.811 20 0 BFADHM [O-]c1ccc(-c2ncncc2F)c(Cl)c1 ZINC001245081982 986646075 /nfs/dbraw/zinc/64/60/75/986646075.db2.gz OUGWLIVBNDAUQP-UHFFFAOYSA-N -1 3 224.622 2.642 20 0 BFADHM [O-]c1ccc(-c2ncnc3cc[nH]c32)c(Cl)c1 ZINC001245081513 986646606 /nfs/dbraw/zinc/64/66/06/986646606.db2.gz HOPCWUZYFUOFMR-UHFFFAOYSA-N -1 3 245.669 2.984 20 0 BFADHM Cc1nc2ccc(-c3c([O-])cccc3F)cn2n1 ZINC001245654405 987030585 /nfs/dbraw/zinc/03/05/85/987030585.db2.gz QYIFIGCEFNFMOV-UHFFFAOYSA-N -1 3 243.241 2.549 20 0 BFADHM COc1cccc(N)c1-c1c([O-])cccc1F ZINC001245655700 987033362 /nfs/dbraw/zinc/03/33/62/987033362.db2.gz KLPSSXGWEJUGAF-UHFFFAOYSA-N -1 3 233.242 2.789 20 0 BFADHM [O-]c1cccc(F)c1-c1cccc2c1OCO2 ZINC001245654570 987035664 /nfs/dbraw/zinc/03/56/64/987035664.db2.gz UOKZYILEWPBOME-UHFFFAOYSA-N -1 3 232.210 2.927 20 0 BFADHM CNc1ccc(-c2c([O-])cccc2F)cn1 ZINC001245656985 987041431 /nfs/dbraw/zinc/04/14/31/987041431.db2.gz XCWKJSUSDOKGDF-UHFFFAOYSA-N -1 3 218.231 2.635 20 0 BFADHM CCCCCc1nnc(-c2cc(O)ccc2[O-])o1 ZINC001256137538 987132001 /nfs/dbraw/zinc/13/20/01/987132001.db2.gz ZEGPMTALQRSOKE-UHFFFAOYSA-N -1 3 248.282 2.881 20 0 BFADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OC(C)(C)C ZINC001116623079 987650238 /nfs/dbraw/zinc/65/02/38/987650238.db2.gz QROVDXLUGGXORW-ZJUUUORDSA-N -1 3 213.321 2.659 20 0 BFADHM CC(C)C[C@@H](C)CC(=O)[N-]OC(C)C ZINC001117769516 987899316 /nfs/dbraw/zinc/89/93/16/987899316.db2.gz AOMIPBBRZNYHBJ-SNVBAGLBSA-N -1 3 201.310 2.515 20 0 BFADHM CC(C)C[C@H](C)CC(=O)[N-]OC(C)C ZINC001117769515 987899896 /nfs/dbraw/zinc/89/98/96/987899896.db2.gz AOMIPBBRZNYHBJ-JTQLQIEISA-N -1 3 201.310 2.515 20 0 BFADHM CC[C@@H](CC(=O)[N-]OC(C)C)C(C)C ZINC001324495150 988854706 /nfs/dbraw/zinc/85/47/06/988854706.db2.gz RAHWTLXNBBCKHY-JTQLQIEISA-N -1 3 201.310 2.515 20 0 BFADHM COc1c(C)cccc1Nc1cnc(C)[n-]c1=O ZINC001248522203 989111559 /nfs/dbraw/zinc/11/15/59/989111559.db2.gz WOYZCCSLHMWNMC-UHFFFAOYSA-N -1 3 245.282 2.551 20 0 BFADHM Cc1ccc([O-])c(-c2nnc(CCC(C)C)o2)n1 ZINC001258340087 991264643 /nfs/dbraw/zinc/26/46/43/991264643.db2.gz SURJMLOTRPJLLI-UHFFFAOYSA-N -1 3 247.298 2.734 20 0 BFADHM Cc1ncsc1NC(=O)c1c(C)cccc1[O-] ZINC001567647527 992070947 /nfs/dbraw/zinc/07/09/47/992070947.db2.gz DDUBRZNBZWSNKF-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)[N-]OC(C)(C)C ZINC001321298100 992512922 /nfs/dbraw/zinc/51/29/22/992512922.db2.gz BJRZNNWJPZQJOZ-DRZSPHRISA-N -1 3 247.338 2.882 20 0 BFADHM C/C=C/C(=O)Nc1c([O-])cccc1Cl ZINC001298550360 994934312 /nfs/dbraw/zinc/93/43/12/994934312.db2.gz IUIYOGLVYZFBDQ-DUXPYHPUSA-N -1 3 211.648 2.560 20 0 BFADHM O=C(NC/C=C/Cl)c1cc([O-])ccc1Cl ZINC001304683095 995214227 /nfs/dbraw/zinc/21/42/27/995214227.db2.gz UVFNCJANGSLZAV-DAFODLJHSA-N -1 3 246.093 2.528 20 0 BFADHM C[C@H](CN(C)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000062015350 349436322 /nfs/dbraw/zinc/43/63/22/349436322.db2.gz XZZQWRVFKBZISP-ZJUUUORDSA-N -1 3 239.290 2.539 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2ccccc2[O-])o1 ZINC000175008781 365524496 /nfs/dbraw/zinc/52/44/96/365524496.db2.gz OIGQRQITZGYKJA-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM CC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000062751563 349492208 /nfs/dbraw/zinc/49/22/08/349492208.db2.gz YYAWLUVSAGDVPT-VIFPVBQESA-N -1 3 239.290 2.754 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc([O-])c(C)c1 ZINC000274788154 398164710 /nfs/dbraw/zinc/16/47/10/398164710.db2.gz LYJSKRVCFXKQSH-GWCFXTLKSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(N[C@H](C)CC(=O)[O-])c2ccccc2n1 ZINC000035697535 178184263 /nfs/dbraw/zinc/18/42/63/178184263.db2.gz BBEFOUSVVGFPTR-SNVBAGLBSA-N -1 3 244.294 2.818 20 0 BFADHM Cc1cc2c([n-]c(COC(C)C)nc2=O)s1 ZINC000266747310 178282231 /nfs/dbraw/zinc/28/22/31/178282231.db2.gz RRIWPWHSSORJPG-UHFFFAOYSA-N -1 3 238.312 2.630 20 0 BFADHM Cc1ccc(C(=O)N(C(C)C)C2CC2)c([O-])c1 ZINC000298391040 178375161 /nfs/dbraw/zinc/37/51/61/178375161.db2.gz NLHNBQRVFCCDJB-UHFFFAOYSA-N -1 3 233.311 2.714 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000336439740 178379488 /nfs/dbraw/zinc/37/94/88/178379488.db2.gz OBJYKJIERYYPHP-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N(C)c2ccccc2)c([O-])c1 ZINC000019837350 178380889 /nfs/dbraw/zinc/38/08/89/178380889.db2.gz OPVWYDFBNVMOPY-UHFFFAOYSA-N -1 3 241.290 2.977 20 0 BFADHM Cc1ccc(C(=O)N(CC(C)C)C2CC2)c([O-])c1 ZINC000047846326 178381317 /nfs/dbraw/zinc/38/13/17/178381317.db2.gz PORCNAJJVJJGHZ-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H](C)C2CC2)c([O-])c1 ZINC000035207588 178381583 /nfs/dbraw/zinc/38/15/83/178381583.db2.gz VDIUMVIPFAENMT-SNVBAGLBSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(C(=O)N2CCC(C)CC2)c([O-])c1 ZINC000019836896 178384098 /nfs/dbraw/zinc/38/40/98/178384098.db2.gz WTORKWWHLZHYIL-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1C ZINC000273150798 178386080 /nfs/dbraw/zinc/38/60/80/178386080.db2.gz YSXZEVCAXZBCKG-UHFFFAOYSA-N -1 3 249.285 2.708 20 0 BFADHM Cc1ccc(C(=O)N2CCCCC2)c([O-])c1C ZINC000048369354 178386360 /nfs/dbraw/zinc/38/63/60/178386360.db2.gz BFCVRDKRTPCKTB-UHFFFAOYSA-N -1 3 233.311 2.635 20 0 BFADHM O=C(N[C@@H]1CC12CCCCC2)c1ccccc1[O-] ZINC000387236769 398269989 /nfs/dbraw/zinc/26/99/89/398269989.db2.gz IUZXKXBRSJVBNH-CYBMUJFWSA-N -1 3 245.322 2.845 20 0 BFADHM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c([O-])c1 ZINC000153781756 178394184 /nfs/dbraw/zinc/39/41/84/178394184.db2.gz AMHYAMFYJNSDIO-NEPJUHHUSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cc(C)nc(NCc2ccc([O-])c(F)c2)n1 ZINC000083376711 398278409 /nfs/dbraw/zinc/27/84/09/398278409.db2.gz OYFCYZBOKSCXND-UHFFFAOYSA-N -1 3 247.273 2.550 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@@H]1C(C)C ZINC000624630539 342803429 /nfs/dbraw/zinc/80/34/29/342803429.db2.gz PANIJSHRYSDQDR-GFCCVEGCSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186252882 538972401 /nfs/dbraw/zinc/97/24/01/538972401.db2.gz BJSSDKNWAYQUKY-NHCYSSNCSA-N -1 3 245.322 2.888 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CCCC2)c1 ZINC000625065788 342847931 /nfs/dbraw/zinc/84/79/31/342847931.db2.gz RLBVPHLKEIYXEN-UHFFFAOYSA-N -1 3 211.692 2.641 20 0 BFADHM CN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000625084694 342848888 /nfs/dbraw/zinc/84/88/88/342848888.db2.gz NOMOAKINFBCVCW-UHFFFAOYSA-N -1 3 211.692 2.640 20 0 BFADHM C[C@H]1CCc2[n-]n(Cc3cccc(F)c3)c(=O)c21 ZINC000634589971 342937241 /nfs/dbraw/zinc/93/72/41/342937241.db2.gz NOTJGCKYJQTWKS-TVQRCGJNSA-N -1 3 246.285 2.570 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCC[C@H]1C1CC1 ZINC000625247779 342938080 /nfs/dbraw/zinc/93/80/80/342938080.db2.gz PFHCYOYWINTHLR-LBPRGKRZSA-N -1 3 245.322 2.715 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCCCC3)c(=O)c21 ZINC000634593915 342953207 /nfs/dbraw/zinc/95/32/07/342953207.db2.gz DNOVBHJILQJRCY-BXKDBHETSA-N -1 3 220.316 2.563 20 0 BFADHM CCc1cc(C(=O)NC2(C(C)C)CC2)ccc1[O-] ZINC000508551772 529516156 /nfs/dbraw/zinc/51/61/56/529516156.db2.gz SVIRECRYWJFFJZ-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C)ccc1[O-] ZINC000486351055 529518921 /nfs/dbraw/zinc/51/89/21/529518921.db2.gz GPTMRRURFAWNCE-GXFFZTMASA-N -1 3 247.338 2.873 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCc2ccccc21 ZINC000019839766 342959323 /nfs/dbraw/zinc/95/93/23/342959323.db2.gz HZGHWWDLJKSWKR-UHFFFAOYSA-N -1 3 239.274 2.595 20 0 BFADHM CCc1[n-]n([C@H](C)C2CC2)c(=O)c1C(C)C ZINC000634597081 342973283 /nfs/dbraw/zinc/97/32/83/342973283.db2.gz AJWYJGPIGDGCBF-SKDRFNHKSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@H]3CCC[C@@H](C)C3)c(=O)c21 ZINC000634599186 342987341 /nfs/dbraw/zinc/98/73/41/342987341.db2.gz COEHRJYBZDBFHS-DCQANWLSSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(C3CCC(C)CC3)c(=O)c21 ZINC000634599552 342988418 /nfs/dbraw/zinc/98/84/18/342988418.db2.gz LBHKWLNVYHIOAH-JJGGINFWSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@@H]1CCc2[n-]n(C3CCC(C)CC3)c(=O)c21 ZINC000634599551 342988737 /nfs/dbraw/zinc/98/87/37/342988737.db2.gz LBHKWLNVYHIOAH-DTZXXLCVSA-N -1 3 234.343 2.809 20 0 BFADHM CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042435328 342996772 /nfs/dbraw/zinc/99/67/72/342996772.db2.gz YIYYNRKRDPDWIQ-VHSXEESVSA-N -1 3 221.300 2.557 20 0 BFADHM Cc1[n-]n(C2CCCCCC2)c(=O)c1C1CC1 ZINC000634602755 342997657 /nfs/dbraw/zinc/99/76/57/342997657.db2.gz BPMIKHFRNUXBQY-CYBMUJFWSA-N -1 3 234.343 2.954 20 0 BFADHM O=C(c1ccccc1[O-])N1Cc2ccccc2C1 ZINC000034778084 358452086 /nfs/dbraw/zinc/45/20/86/358452086.db2.gz ICICRKGSHXZVLF-UHFFFAOYSA-N -1 3 239.274 2.548 20 0 BFADHM C[C@@H]1CCc2[n-]n(CCC(C)(C)C)c(=O)c21 ZINC000634620753 343019762 /nfs/dbraw/zinc/01/97/62/343019762.db2.gz OEAAMGRBXRLGSO-MWLCHTKSSA-N -1 3 222.332 2.667 20 0 BFADHM CCc1[n-]n([C@@H](C)CC)c(=O)c1C(C)C ZINC000634624014 343024613 /nfs/dbraw/zinc/02/46/13/343024613.db2.gz VUTZBBOUDWJRAG-ONGXEEELSA-N -1 3 210.321 2.665 20 0 BFADHM CCc1[n-]n([C@H](C)CC)c(=O)c1C(C)C ZINC000634624013 343024889 /nfs/dbraw/zinc/02/48/89/343024889.db2.gz VUTZBBOUDWJRAG-MWLCHTKSSA-N -1 3 210.321 2.665 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCC3(C)C)c(=O)c21 ZINC000634626223 343031116 /nfs/dbraw/zinc/03/11/16/343031116.db2.gz ZUCSDKVFYRFKDM-YUSALJHKSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@@H]1CCc2[n-]n([C@H]3CCCC3(C)C)c(=O)c21 ZINC000634626220 343031209 /nfs/dbraw/zinc/03/12/09/343031209.db2.gz ZUCSDKVFYRFKDM-ADEWGFFLSA-N -1 3 234.343 2.809 20 0 BFADHM C[C@H]1CCc2[n-]n(CC3(C)CCCC3)c(=O)c21 ZINC000634629733 343038000 /nfs/dbraw/zinc/03/80/00/343038000.db2.gz AVLFUDYQNDMINO-CMPLNLGQSA-N -1 3 234.343 2.811 20 0 BFADHM C[C@@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(C)(C)C ZINC000634630417 343038994 /nfs/dbraw/zinc/03/89/94/343038994.db2.gz UUXGJCYMWADNDT-KKZNHRDASA-N -1 3 222.332 2.665 20 0 BFADHM C[C@H](n1[n-]c2c(c1=O)[C@H](C)CC2)C(C)(C)C ZINC000634630419 343039053 /nfs/dbraw/zinc/03/90/53/343039053.db2.gz UUXGJCYMWADNDT-YWVKMMECSA-N -1 3 222.332 2.665 20 0 BFADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000187737332 259345692 /nfs/dbraw/zinc/34/56/92/259345692.db2.gz FANVQHPVIBZFDW-NXEZZACHSA-N -1 3 234.299 2.552 20 0 BFADHM c1coc(-c2n[n-]cc2-c2nc(C3CC3)no2)c1 ZINC000634665351 343088508 /nfs/dbraw/zinc/08/85/08/343088508.db2.gz FMVKCPLBIMMEAU-UHFFFAOYSA-N -1 3 242.238 2.597 20 0 BFADHM C[C@@H](N(C)Cc1cc(C(=O)[O-])co1)C(C)(C)C ZINC000051330702 343256040 /nfs/dbraw/zinc/25/60/40/343256040.db2.gz QWAVIZZYLIRKRS-SECBINFHSA-N -1 3 239.315 2.844 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)C)c1 ZINC000035239163 343291128 /nfs/dbraw/zinc/29/11/28/343291128.db2.gz ZOJMLFROGHDHMN-LLVKDONJSA-N -1 3 235.327 2.817 20 0 BFADHM CCN(C(=O)c1cc(C)ccc1[O-])C(C)C ZINC000037082605 343333168 /nfs/dbraw/zinc/33/31/68/343333168.db2.gz DHMQRONZEGEHPT-UHFFFAOYSA-N -1 3 221.300 2.571 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1ccc(C)cc1[O-] ZINC000037173900 343337998 /nfs/dbraw/zinc/33/79/98/343337998.db2.gz LLBNQMGRAYPMFV-SNVBAGLBSA-N -1 3 235.327 2.819 20 0 BFADHM CC[C@@H](C)CN(C)C(=O)c1cccc([O-])c1 ZINC000037173918 343338012 /nfs/dbraw/zinc/33/80/12/343338012.db2.gz ANEBSHZMMPKHES-SNVBAGLBSA-N -1 3 221.300 2.510 20 0 BFADHM CC[C@@H]1C[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000335649190 136304897 /nfs/dbraw/zinc/30/48/97/136304897.db2.gz DRNBHGBMPZPILR-ZYHUDNBSSA-N -1 3 245.322 2.718 20 0 BFADHM Cc1ccc(NC(=O)c2cnccc2C)c([O-])c1 ZINC000335703485 136334680 /nfs/dbraw/zinc/33/46/80/136334680.db2.gz IGUHHRULHOHNEW-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H]1CC1(C)C ZINC000568065774 343510886 /nfs/dbraw/zinc/51/08/86/343510886.db2.gz GECUOQKUUUIKJU-LLVKDONJSA-N -1 3 237.299 2.517 20 0 BFADHM COc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c([O-])c1 ZINC000442702216 537824395 /nfs/dbraw/zinc/82/43/95/537824395.db2.gz ZFRQYEBKIGRJLA-WDEREUQCSA-N -1 3 249.310 2.631 20 0 BFADHM Cc1[n-]n([C@@H](C)c2ccccc2)c(=O)c1C1CC1 ZINC000634599060 537834032 /nfs/dbraw/zinc/83/40/32/537834032.db2.gz ZVNQCXZOJSCQEZ-FZMZJTMJSA-N -1 3 242.322 2.992 20 0 BFADHM CCO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000078893014 344103966 /nfs/dbraw/zinc/10/39/66/344103966.db2.gz RDIMROKWANTUNO-UHFFFAOYSA-N -1 3 235.327 2.810 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)CC[C@H]1C ZINC000625939965 344575216 /nfs/dbraw/zinc/57/52/16/344575216.db2.gz XLRHNIPTUXKEAS-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000626077083 344723881 /nfs/dbraw/zinc/72/38/81/344723881.db2.gz CNTWCKJCLOXSFN-QWRGUYRKSA-N -1 3 233.311 2.714 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000248692283 537855585 /nfs/dbraw/zinc/85/55/85/537855585.db2.gz BJSSDKNWAYQUKY-CKYFFXLPSA-N -1 3 245.322 2.888 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c([O-])c1C ZINC000425166815 192080709 /nfs/dbraw/zinc/08/07/09/192080709.db2.gz ZBTZHTXSBDNZBP-ZSBIGDGJSA-N -1 3 245.322 2.537 20 0 BFADHM O=[S@](CCc1ccccc1)c1ccc([O-])cc1 ZINC000151372747 345340174 /nfs/dbraw/zinc/34/01/74/345340174.db2.gz GGRUSWBASNKQEG-KRWDZBQOSA-N -1 3 246.331 2.743 20 0 BFADHM CC[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])co1 ZINC000136275272 345495129 /nfs/dbraw/zinc/49/51/29/345495129.db2.gz CHDUUICWUZLEQG-ONGXEEELSA-N -1 3 237.299 2.741 20 0 BFADHM Cc1ccccc1[C@H](C)SCCc1nnn[n-]1 ZINC000603339603 349930186 /nfs/dbraw/zinc/93/01/86/349930186.db2.gz PVYMZLILYGWPAU-JTQLQIEISA-N -1 3 248.355 2.545 20 0 BFADHM Cc1ccccc1[C@H](C)SCCc1nn[n-]n1 ZINC000603339603 349930191 /nfs/dbraw/zinc/93/01/91/349930191.db2.gz PVYMZLILYGWPAU-JTQLQIEISA-N -1 3 248.355 2.545 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000082879751 345789905 /nfs/dbraw/zinc/78/99/05/345789905.db2.gz QHGWZPZSMFTOBU-HTRCEHHLSA-N -1 3 225.675 2.640 20 0 BFADHM CC[C@@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000144734815 345924657 /nfs/dbraw/zinc/92/46/57/345924657.db2.gz ASACBUFMHGEFLL-VIFPVBQESA-N -1 3 245.244 2.859 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1[O-] ZINC000336536936 179004889 /nfs/dbraw/zinc/00/48/89/179004889.db2.gz HTPKNQJXFSVHMD-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@H]2C2CC2)c1[O-] ZINC000377546294 179009998 /nfs/dbraw/zinc/00/99/98/179009998.db2.gz UHFGBCFYVYNDJL-ZDUSSCGKSA-N -1 3 245.322 2.715 20 0 BFADHM Cc1cccc(C(=O)N(C)[C@H]2CC[C@H](C)C2)c1[O-] ZINC000336536937 179005425 /nfs/dbraw/zinc/00/54/25/179005425.db2.gz HTPKNQJXFSVHMD-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CCC(C)CC2)c1[O-] ZINC000019836894 179007693 /nfs/dbraw/zinc/00/76/93/179007693.db2.gz SRRAFJJFLTYNPT-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N2CCCC[C@H]2C)c1[O-] ZINC000019837076 179008070 /nfs/dbraw/zinc/00/80/70/179008070.db2.gz UDKJWCUFFMCQQD-LLVKDONJSA-N -1 3 233.311 2.715 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H](C)C2)c1[O-] ZINC000019837474 179008363 /nfs/dbraw/zinc/00/83/63/179008363.db2.gz OMZJIKUCEQXAMQ-SNVBAGLBSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1[O-] ZINC000109477326 179008475 /nfs/dbraw/zinc/00/84/75/179008475.db2.gz DJBSVQLXAVOYKG-CYBMUJFWSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N[C@@H](C)CC(C)C)c1[O-] ZINC000037265432 179021593 /nfs/dbraw/zinc/02/15/93/179021593.db2.gz KVVPMTOEHUONBG-NSHDSACASA-N -1 3 235.327 2.865 20 0 BFADHM Cc1cccc(C)c1NC([O-])=NOC(C)C ZINC000297095344 179040880 /nfs/dbraw/zinc/04/08/80/179040880.db2.gz CKHCREKUWPRWIS-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1cccc(C)c1NC(=O)[N-]OC(C)C ZINC000297095344 179040883 /nfs/dbraw/zinc/04/08/83/179040883.db2.gz CKHCREKUWPRWIS-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1cccc(NC([O-])=NOC(C)C)c1C ZINC000296269415 179134857 /nfs/dbraw/zinc/13/48/57/179134857.db2.gz SYQKBYKNEZBFSM-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1cccc(NC(=O)[N-]OC(C)C)c1C ZINC000296269415 179134860 /nfs/dbraw/zinc/13/48/60/179134860.db2.gz SYQKBYKNEZBFSM-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C1CC=CC1 ZINC000271286092 179159814 /nfs/dbraw/zinc/15/98/14/179159814.db2.gz BDRFCEKPFJPCEF-UHFFFAOYSA-N -1 3 217.268 2.605 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CSC(F)F ZINC000295007897 179160785 /nfs/dbraw/zinc/16/07/85/179160785.db2.gz SMCYZLPQCWQYKR-UHFFFAOYSA-N -1 3 247.266 2.595 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCCCO1 ZINC000183029885 179160816 /nfs/dbraw/zinc/16/08/16/179160816.db2.gz DZSKPOKFNDAPGI-LLVKDONJSA-N -1 3 249.310 2.598 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000279856654 179161182 /nfs/dbraw/zinc/16/11/82/179161182.db2.gz MHRCNFRHWNFGRL-NSHDSACASA-N -1 3 249.310 2.597 20 0 BFADHM Cc1sc(C(=O)[O-])cc1CN1CCCCC1 ZINC000087794331 362788296 /nfs/dbraw/zinc/78/82/96/362788296.db2.gz HQKFCZOHOMGPOB-UHFFFAOYSA-N -1 3 239.340 2.741 20 0 BFADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OCC1CC1 ZINC000293735781 179334812 /nfs/dbraw/zinc/33/48/12/179334812.db2.gz IGXZHIZXJSWXKN-GFCCVEGCSA-N -1 3 247.338 2.946 20 0 BFADHM CC1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000071026298 350081336 /nfs/dbraw/zinc/08/13/36/350081336.db2.gz MJLVILOIUVZLGH-UHFFFAOYSA-N -1 3 239.340 2.678 20 0 BFADHM Cc1ccc(C(=O)N[C@@]23C[C@@H]2CCC3)c([O-])c1C ZINC000617211745 350380853 /nfs/dbraw/zinc/38/08/53/350380853.db2.gz PAOIZOQOVUUITR-NHYWBVRUSA-N -1 3 245.322 2.681 20 0 BFADHM CCc1cccc(C(=O)N[C@]23C[C@H]2CCC3)c1[O-] ZINC000617211544 350380911 /nfs/dbraw/zinc/38/09/11/350380911.db2.gz LXZFNQSZQWKJQL-IAQYHMDHSA-N -1 3 245.322 2.627 20 0 BFADHM CC(C)CCN(Cc1ncccc1[O-])C1CC1 ZINC000577479915 365964012 /nfs/dbraw/zinc/96/40/12/365964012.db2.gz PWODLZDGLGJESW-UHFFFAOYSA-N -1 3 234.343 2.798 20 0 BFADHM CC(C)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000227616385 350504063 /nfs/dbraw/zinc/50/40/63/350504063.db2.gz IOPUXHBKYJJHSD-UHFFFAOYSA-N -1 3 247.338 2.900 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000626320876 350966638 /nfs/dbraw/zinc/96/66/38/350966638.db2.gz LMZHYDSSSWLPOC-CMPLNLGQSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC[C@@H]1C(C)C ZINC000626369112 351011361 /nfs/dbraw/zinc/01/13/61/351011361.db2.gz OZPUWTKXUXVOBN-LLVKDONJSA-N -1 3 233.311 2.571 20 0 BFADHM CSc1ccc([O-])c(C(=O)N2CC=CCC2)c1 ZINC000613323567 363104993 /nfs/dbraw/zinc/10/49/93/363104993.db2.gz HJLQRSUYIBLKIZ-UHFFFAOYSA-N -1 3 249.335 2.516 20 0 BFADHM C/C=C/C=C/C(=O)Nc1c(C)cccc1[O-] ZINC000183074420 363126520 /nfs/dbraw/zinc/12/65/20/363126520.db2.gz BCJGZSHJBBWDEE-PRKJJMSOSA-N -1 3 217.268 2.771 20 0 BFADHM Cc1noc(C)c1NC(=O)c1cccc(C)c1[O-] ZINC000334180371 352767980 /nfs/dbraw/zinc/76/79/80/352767980.db2.gz FGLNRJSHNNUZQJ-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM Cc1cc(=O)[n-]c([C@H](C)N2CC(C)(C)C[C@H]2C)n1 ZINC000412044646 191251911 /nfs/dbraw/zinc/25/19/11/191251911.db2.gz OZJRLPOUYZZOTD-MNOVXSKESA-N -1 3 249.358 2.672 20 0 BFADHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c([O-])c1 ZINC000334330457 352965797 /nfs/dbraw/zinc/96/57/97/352965797.db2.gz KNUIJVJINKKZQE-YUMQZZPRSA-N -1 3 241.237 2.540 20 0 BFADHM CC1(C)C[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000124257968 188083652 /nfs/dbraw/zinc/08/36/52/188083652.db2.gz YCNZUEIWHCAODV-QMMMGPOBSA-N -1 3 223.247 2.516 20 0 BFADHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000185622217 188170336 /nfs/dbraw/zinc/17/03/36/188170336.db2.gz CUTHOKGDSOIQEY-VHSXEESVSA-N -1 3 237.274 2.762 20 0 BFADHM C/C=C(\CC)C(=O)Nc1c(C)cccc1[O-] ZINC000190964135 188173377 /nfs/dbraw/zinc/17/33/77/188173377.db2.gz QMIHVBCPGWLDNG-ONNFQVAWSA-N -1 3 219.284 2.995 20 0 BFADHM CC1=CC[C@@](C)(C(=O)Nc2ncccc2[O-])CC1 ZINC000613426985 363211359 /nfs/dbraw/zinc/21/13/59/363211359.db2.gz MEBUCXMLNKMFGG-CQSZACIVSA-N -1 3 246.310 2.862 20 0 BFADHM O=C([N-]OC/C=C/Cl)C1=CCCCCC1 ZINC000291813304 188211916 /nfs/dbraw/zinc/21/19/16/188211916.db2.gz LWUWLSJNAVLUNI-VMPITWQZSA-N -1 3 229.707 2.677 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2=CCCCCC2)n1 ZINC000332329659 188227035 /nfs/dbraw/zinc/22/70/35/188227035.db2.gz NQCILJUYEOHRII-UHFFFAOYSA-N -1 3 246.310 2.925 20 0 BFADHM CC(C)[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000179152094 366211745 /nfs/dbraw/zinc/21/17/45/366211745.db2.gz KCHGUXXLVZTYKA-MRVPVSSYSA-N -1 3 225.263 2.762 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1[O-] ZINC000335091038 354626874 /nfs/dbraw/zinc/62/68/74/354626874.db2.gz BNJRXEZBCRRMDO-QWHCGFSZSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1ccc(C(=O)N2CC(C)(C)C[C@H]2C)c([O-])c1 ZINC000412757698 191311154 /nfs/dbraw/zinc/31/11/54/191311154.db2.gz BXUXMBDRBAYNDP-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1noc(C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000040419025 358490247 /nfs/dbraw/zinc/49/02/47/358490247.db2.gz OFRUVSKULNXFBD-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)CC1(F)F ZINC000335173402 354939699 /nfs/dbraw/zinc/93/96/99/354939699.db2.gz PBLMLVTXCOFUOD-SNVBAGLBSA-N -1 3 245.200 2.515 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccco1 ZINC000608349047 355361453 /nfs/dbraw/zinc/36/14/53/355361453.db2.gz RZOUQYSAQKMOIX-SECBINFHSA-N -1 3 231.251 2.727 20 0 BFADHM CC(C)c1occc1C(=O)Nc1ncccc1[O-] ZINC000335843971 355587213 /nfs/dbraw/zinc/58/72/13/355587213.db2.gz WTHAVADXBDWQFK-UHFFFAOYSA-N -1 3 246.266 2.756 20 0 BFADHM C[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000350150991 355616767 /nfs/dbraw/zinc/61/67/67/355616767.db2.gz WSWGULJMDFPUFT-SECBINFHSA-N -1 3 241.281 2.902 20 0 BFADHM [O-]c1cc(F)cc(CN2C[C@H]3CCC[C@H]32)c1 ZINC000335886438 355676545 /nfs/dbraw/zinc/67/65/45/355676545.db2.gz JCDPULUYKYSEPA-ZWNOBZJWSA-N -1 3 221.275 2.516 20 0 BFADHM [O-]c1cc(F)cc(CN2C[C@H]3CCC[C@@H]32)c1 ZINC000335886437 355677217 /nfs/dbraw/zinc/67/72/17/355677217.db2.gz JCDPULUYKYSEPA-MFKMUULPSA-N -1 3 221.275 2.516 20 0 BFADHM C[C@@H](c1ccco1)N(C)CC1(CC(=O)[O-])CC1 ZINC000584356138 356174463 /nfs/dbraw/zinc/17/44/63/356174463.db2.gz AAKHOBSKGZAFDU-JTQLQIEISA-N -1 3 237.299 2.527 20 0 BFADHM [O-]c1cccnc1CN1CC[C@@H]1c1ccccc1 ZINC000580362890 356435771 /nfs/dbraw/zinc/43/57/71/356435771.db2.gz JEROXEZKVGAWBM-CQSZACIVSA-N -1 3 240.306 2.734 20 0 BFADHM CCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1F ZINC000216588448 357329338 /nfs/dbraw/zinc/32/93/38/357329338.db2.gz HDVLLLIYQOGTGS-LBPRGKRZSA-N -1 3 239.290 2.511 20 0 BFADHM CCCCN(CC)Cc1ccc(C(=O)[O-])o1 ZINC000011800891 357454509 /nfs/dbraw/zinc/45/45/09/357454509.db2.gz JVRKNKVOVPSGOU-UHFFFAOYSA-N -1 3 225.288 2.600 20 0 BFADHM CC(C)OC(=O)c1cc([O-])ccc1Cl ZINC000232671513 357682394 /nfs/dbraw/zinc/68/23/94/357682394.db2.gz WWPFWYYVFUIVQA-UHFFFAOYSA-N -1 3 214.648 2.611 20 0 BFADHM CC[C@@H](C)N(C)C(=O)c1cc([O-])ccc1Cl ZINC000233857007 357757294 /nfs/dbraw/zinc/75/72/94/357757294.db2.gz ZTYFSARTSUTFRN-MRVPVSSYSA-N -1 3 241.718 2.916 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC[C@@H]1C ZINC000217985136 357918301 /nfs/dbraw/zinc/91/83/01/357918301.db2.gz WLXQCVDWQPCFQN-DTWKUNHWSA-N -1 3 223.272 2.523 20 0 BFADHM CC[C@@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000035433026 357992115 /nfs/dbraw/zinc/99/21/15/357992115.db2.gz YBTRCHSLKJJWQR-SNVBAGLBSA-N -1 3 237.299 2.742 20 0 BFADHM CC[C@@H](C)CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432273 357992145 /nfs/dbraw/zinc/99/21/45/357992145.db2.gz NPUVCHXXRFLDFJ-SECBINFHSA-N -1 3 239.315 2.764 20 0 BFADHM CC[C@H]1CCCN(Cc2ccoc2C(=O)[O-])C1 ZINC000036170043 358011913 /nfs/dbraw/zinc/01/19/13/358011913.db2.gz MNBKZNMFEVNDFS-JTQLQIEISA-N -1 3 237.299 2.600 20 0 BFADHM CC[C@@H](C)CN(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812858 358052580 /nfs/dbraw/zinc/05/25/80/358052580.db2.gz QGFVMKNECXGRMT-SECBINFHSA-N -1 3 239.315 2.764 20 0 BFADHM CCC[C@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000037505118 358077969 /nfs/dbraw/zinc/07/79/69/358077969.db2.gz QNMFFDWDVCATRJ-VIFPVBQESA-N -1 3 225.288 2.598 20 0 BFADHM CC(C)CN(Cc1ccc(C(=O)[O-])o1)C1CC1 ZINC000042557937 358351891 /nfs/dbraw/zinc/35/18/91/358351891.db2.gz RQOYJKUDJUOECH-UHFFFAOYSA-N -1 3 237.299 2.598 20 0 BFADHM CC(C)N(CC1CC1)C(=O)c1cccc([O-])c1 ZINC000042592699 358353420 /nfs/dbraw/zinc/35/34/20/358353420.db2.gz XPYUDNVRCLUIBK-UHFFFAOYSA-N -1 3 233.311 2.653 20 0 BFADHM CCC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000042447360 358523656 /nfs/dbraw/zinc/52/36/56/358523656.db2.gz IHKOZSKGGULTIP-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)C1CC1 ZINC000133863802 358770604 /nfs/dbraw/zinc/77/06/04/358770604.db2.gz MJNHPVPRXLZULH-SSDOTTSWSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1nc(C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000073138794 359096801 /nfs/dbraw/zinc/09/68/01/359096801.db2.gz GUXJCEDQPMUABT-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM C[C@H]1CCN(c2ccncc2C(=O)[O-])C[C@H](C)C1 ZINC000578511465 366584349 /nfs/dbraw/zinc/58/43/49/366584349.db2.gz RDNHWUIANUZRSA-WDEREUQCSA-N -1 3 248.326 2.652 20 0 BFADHM CCCN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000578635032 366614351 /nfs/dbraw/zinc/61/43/51/366614351.db2.gz SPQGXXIWDATNED-VIFPVBQESA-N -1 3 225.288 2.689 20 0 BFADHM Cc1ccc(NC(=O)c2cncc(C)c2)c([O-])c1 ZINC000088450241 359954343 /nfs/dbraw/zinc/95/43/43/359954343.db2.gz OASDCAYXGUDDBM-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000092599625 360185430 /nfs/dbraw/zinc/18/54/30/360185430.db2.gz CPLZUFMFQJWFMP-PHIMTYICSA-N -1 3 247.338 2.968 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000613028750 360293366 /nfs/dbraw/zinc/29/33/66/360293366.db2.gz UKENQGWSJNXUGF-BRPSZJMVSA-N -1 3 235.258 2.516 20 0 BFADHM CC1(C)CC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000613111139 360365088 /nfs/dbraw/zinc/36/50/88/360365088.db2.gz ZQOHTGNDXFQJNW-MRVPVSSYSA-N -1 3 237.274 2.906 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H]2CC2(C)C)c1 ZINC000428198291 201002448 /nfs/dbraw/zinc/00/24/48/201002448.db2.gz JIFKIVDAQNQGRS-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM O=C(c1ccccc1[O-])N1CCCC2(CC2)CC1 ZINC000629656055 361561254 /nfs/dbraw/zinc/56/12/54/361561254.db2.gz ZXTIKDXVNJLMIM-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C)c([O-])c1C ZINC000436484570 201328786 /nfs/dbraw/zinc/32/87/86/201328786.db2.gz MXIAICKGWAHKNH-ZWNOBZJWSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C)c([O-])c1C ZINC000436484554 201328984 /nfs/dbraw/zinc/32/89/84/201328984.db2.gz MXIAICKGWAHKNH-GWCFXTLKSA-N -1 3 247.338 2.927 20 0 BFADHM Cc1ccc(C(=O)NCC2(C)CC2)c([O-])c1C ZINC000436578317 201331777 /nfs/dbraw/zinc/33/17/77/201331777.db2.gz WJBYGQAFXYRFEB-UHFFFAOYSA-N -1 3 233.311 2.539 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@@H]2C)c([O-])c1C ZINC000436708373 201334480 /nfs/dbraw/zinc/33/44/80/201334480.db2.gz JODMQKKTVQYSFX-CABZTGNLSA-N -1 3 233.311 2.537 20 0 BFADHM CCc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000436831383 201337853 /nfs/dbraw/zinc/33/78/53/201337853.db2.gz FWNGNHQWSIILTC-QWRGUYRKSA-N -1 3 247.338 2.825 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@@H]2CC2(C)C)c([O-])c1C ZINC000436814779 201338721 /nfs/dbraw/zinc/33/87/21/201338721.db2.gz LVLPODJXGSSWOT-GFCCVEGCSA-N -1 3 247.338 2.880 20 0 BFADHM CCCCCNC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436847712 201339122 /nfs/dbraw/zinc/33/91/22/201339122.db2.gz KZPPXRTYUDFPJB-UHFFFAOYSA-N -1 3 249.310 2.515 20 0 BFADHM Cc1cccc(C(=O)NCCC2(C)CC2)c1[O-] ZINC000436843754 201339449 /nfs/dbraw/zinc/33/94/49/201339449.db2.gz ANNLFJFHMFYDAE-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1nc(NC(=O)c2cccc(C)c2[O-])cs1 ZINC000436897120 201341135 /nfs/dbraw/zinc/34/11/35/201341135.db2.gz WFGQPZHWPKXYCN-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM O=C(NC[C@H]1CCCC12CC2)c1ccccc1[O-] ZINC000629837131 361732874 /nfs/dbraw/zinc/73/28/74/361732874.db2.gz UHYHFKFBZTWGKN-LLVKDONJSA-N -1 3 245.322 2.702 20 0 BFADHM CCN(CC(C)C)C(=O)c1cccc(C)c1[O-] ZINC000037023447 363854645 /nfs/dbraw/zinc/85/46/45/363854645.db2.gz CAZQLJRQYNXBPU-UHFFFAOYSA-N -1 3 235.327 2.819 20 0 BFADHM C[C@H]1CC[C@H]1NCc1cccc([O-])c1Cl ZINC000328236625 363863079 /nfs/dbraw/zinc/86/30/79/363863079.db2.gz PYWSGWPPMJMYTJ-WCBMZHEXSA-N -1 3 225.719 2.934 20 0 BFADHM CC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC000618953224 363914938 /nfs/dbraw/zinc/91/49/38/363914938.db2.gz KXHHONIIVVRCOM-CQSZACIVSA-N -1 3 233.311 2.701 20 0 BFADHM CCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000079720966 364475720 /nfs/dbraw/zinc/47/57/20/364475720.db2.gz AULAFIRGOGXJRN-UHFFFAOYSA-N -1 3 221.300 2.655 20 0 BFADHM CC(C)CC1(C(=O)Nc2ncccc2[O-])CC1 ZINC000442889307 193001156 /nfs/dbraw/zinc/00/11/56/193001156.db2.gz DQJRKBSDFXPQOC-UHFFFAOYSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H](C1CC1)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000575322569 365288869 /nfs/dbraw/zinc/28/88/69/365288869.db2.gz MBQXWHHZGJMLHJ-SECBINFHSA-N -1 3 249.310 2.741 20 0 BFADHM C[C@@H](C1CC1)N(Cc1cc(C(=O)[O-])co1)C1CC1 ZINC000575322570 365289505 /nfs/dbraw/zinc/28/95/05/365289505.db2.gz MBQXWHHZGJMLHJ-VIFPVBQESA-N -1 3 249.310 2.741 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1C[C@H]1C1CC1 ZINC000183285497 367010951 /nfs/dbraw/zinc/01/09/51/367010951.db2.gz VVWKZGLISCQNKB-VHSXEESVSA-N -1 3 235.258 2.516 20 0 BFADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000185783325 367143545 /nfs/dbraw/zinc/14/35/45/367143545.db2.gz WPQMWAQIEQKMHJ-RKDXNWHRSA-N -1 3 237.274 2.762 20 0 BFADHM C[C@@H]1CN(Cc2cc(C(=O)[O-])co2)C(C)(C)C1 ZINC000380375808 367194406 /nfs/dbraw/zinc/19/44/06/367194406.db2.gz HPCIIFBUHMKWFF-VIFPVBQESA-N -1 3 237.299 2.598 20 0 BFADHM CC(=O)c1cccc(NC(=O)C[C@H]2C[C@@H]2C)c1[O-] ZINC000581014311 367235320 /nfs/dbraw/zinc/23/53/20/367235320.db2.gz KXJGLWXXQKCRSY-WCBMZHEXSA-N -1 3 247.294 2.579 20 0 BFADHM CC(=O)c1cccc(NC(=O)C[C@H]2C[C@H]2C)c1[O-] ZINC000581014307 367235603 /nfs/dbraw/zinc/23/56/03/367235603.db2.gz KXJGLWXXQKCRSY-PSASIEDQSA-N -1 3 247.294 2.579 20 0 BFADHM CC1=CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000382535084 367534753 /nfs/dbraw/zinc/53/47/53/367534753.db2.gz MSUAXKDSUUFROQ-JTQLQIEISA-N -1 3 235.283 2.691 20 0 BFADHM Cc1ccoc1C(=O)Nc1ccccc1[O-] ZINC000045621610 368428638 /nfs/dbraw/zinc/42/86/38/368428638.db2.gz PJMAMANGHGHBFT-UHFFFAOYSA-N -1 3 217.224 2.546 20 0 BFADHM C[C@H]1CCCCN1Cc1ccsc1C(=O)[O-] ZINC000082501595 368689636 /nfs/dbraw/zinc/68/96/36/368689636.db2.gz YCOOXNFUIRSZFV-VIFPVBQESA-N -1 3 239.340 2.821 20 0 BFADHM C[C@@H]1CCC(C)(C)N1C(=O)c1cccc([O-])c1 ZINC000616179305 369012322 /nfs/dbraw/zinc/01/23/22/369012322.db2.gz UDBSIDIWMMNIBG-SNVBAGLBSA-N -1 3 233.311 2.795 20 0 BFADHM O=C(NCCCC1CCC1)c1cccc([O-])c1 ZINC000618619331 369188478 /nfs/dbraw/zinc/18/84/78/369188478.db2.gz RCUQNHMOLXFGSG-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM Cc1cccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000458270878 203152687 /nfs/dbraw/zinc/15/26/87/203152687.db2.gz FNMHIFIMLQEWSV-WXHSDQCUSA-N -1 3 245.322 2.619 20 0 BFADHM CCC[C@H](C)NC(=O)c1c(C)cccc1[O-] ZINC000623685107 369403677 /nfs/dbraw/zinc/40/36/77/369403677.db2.gz FBWOECHEJROZAD-JTQLQIEISA-N -1 3 221.300 2.619 20 0 BFADHM CCc1cc(C(=O)N[C@]2(C)CC2(C)C)ccc1[O-] ZINC000620075922 369711036 /nfs/dbraw/zinc/71/10/36/369711036.db2.gz GDDUTZQLJOFNTM-OAHLLOKOSA-N -1 3 247.338 2.873 20 0 BFADHM Cc1cccc([O-])c1C(=O)NC1(C(C)C)CC1 ZINC000627536929 370072069 /nfs/dbraw/zinc/07/20/69/370072069.db2.gz LCZSBTLSNPHYQG-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CN(C[C@@H]1CC1(C)C)C(=O)c1cccc([O-])c1 ZINC000621057464 370088974 /nfs/dbraw/zinc/08/89/74/370088974.db2.gz QLUTXDYXNUFIMN-NSHDSACASA-N -1 3 233.311 2.510 20 0 BFADHM Cc1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2C)c1[O-] ZINC000112640855 370337215 /nfs/dbraw/zinc/33/72/15/370337215.db2.gz JJVCXKAORXJZCJ-HZGVNTEJSA-N -1 3 239.702 2.949 20 0 BFADHM Cc1ccc(-c2nc(=O)c3c(C)csc3[n-]2)o1 ZINC000077251593 370404395 /nfs/dbraw/zinc/40/43/95/370404395.db2.gz FGSXEPPLIGUXBW-UHFFFAOYSA-N -1 3 246.291 2.861 20 0 BFADHM CCCN(CC)C(=O)c1c(C)cccc1[O-] ZINC000623931600 371160643 /nfs/dbraw/zinc/16/06/43/371160643.db2.gz CBCZQUHCYMNRNR-UHFFFAOYSA-N -1 3 221.300 2.573 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000627777776 371971357 /nfs/dbraw/zinc/97/13/57/371971357.db2.gz PBTAWIFYLRMAEV-TUAOUCFPSA-N -1 3 247.338 2.817 20 0 BFADHM O=C(CCC1CC1)[N-]OCc1ccc(F)cc1 ZINC000273311268 181901847 /nfs/dbraw/zinc/90/18/47/181901847.db2.gz PBMJBGRWSFSQQT-UHFFFAOYSA-N -1 3 237.274 2.564 20 0 BFADHM O=C(C[C@@H]1C=CCCC1)[N-]OCc1ccccc1 ZINC000188942068 182014644 /nfs/dbraw/zinc/01/46/44/182014644.db2.gz ROPCVWDEQHUTCN-CYBMUJFWSA-N -1 3 245.322 2.981 20 0 BFADHM O=C(NCC1CCCCC1)c1cccc([O-])c1 ZINC000037247341 182146376 /nfs/dbraw/zinc/14/63/76/182146376.db2.gz MLMZLLTUWAXEQF-UHFFFAOYSA-N -1 3 233.311 2.702 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CCCC23CC3)ccc1[O-] ZINC000633774518 373742433 /nfs/dbraw/zinc/74/24/33/373742433.db2.gz DMHIWKIMXVLVKL-CYBMUJFWSA-N -1 3 245.322 2.763 20 0 BFADHM C[C@@H]1CCCCCN1C(=O)c1cccc([O-])c1 ZINC000070410738 374141425 /nfs/dbraw/zinc/14/14/25/374141425.db2.gz XJFAPDWNYRUHHI-LLVKDONJSA-N -1 3 233.311 2.797 20 0 BFADHM C[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000070410749 374142043 /nfs/dbraw/zinc/14/20/43/374142043.db2.gz WOLWNSZISDATKN-NSHDSACASA-N -1 3 233.311 2.797 20 0 BFADHM O=C([N-]OC1CCCC1)c1c(F)cccc1F ZINC000135356463 182281897 /nfs/dbraw/zinc/28/18/97/182281897.db2.gz GFQARRZIURABTG-UHFFFAOYSA-N -1 3 241.237 2.569 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccoc1Cl ZINC000192412203 259586303 /nfs/dbraw/zinc/58/63/03/259586303.db2.gz OHJJGLGUWWDIML-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM CCCCn1c(=O)[n-]nc1SCCC1CC1 ZINC000358891060 169035841 /nfs/dbraw/zinc/03/58/41/169035841.db2.gz XJYVHLCOGHCKGY-UHFFFAOYSA-N -1 3 241.360 2.676 20 0 BFADHM CCCN(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000299414118 169117346 /nfs/dbraw/zinc/11/73/46/169117346.db2.gz RREXJXUDGYAMQU-UHFFFAOYSA-N -1 3 235.327 2.881 20 0 BFADHM [O-]c1cc(-c2ccc(O)cc2)ccc1F ZINC000065340701 183264818 /nfs/dbraw/zinc/26/48/18/183264818.db2.gz VMQVMESQVZSBJJ-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1ccc(-c2noc(C3(CCF)CC3)n2)cc1 ZINC000289760760 183265541 /nfs/dbraw/zinc/26/55/41/183265541.db2.gz KALUTQJFQYCILE-UHFFFAOYSA-N -1 3 248.257 2.833 20 0 BFADHM [O-]c1ccc(-c2noc([C@H]3CCSC3)n2)cc1 ZINC000070437129 183265719 /nfs/dbraw/zinc/26/57/19/183265719.db2.gz NOSVAHYWTZLBRT-VIFPVBQESA-N -1 3 248.307 2.663 20 0 BFADHM [O-]c1ccc(F)c(CNCC2CCCC2)c1F ZINC000294111532 183274147 /nfs/dbraw/zinc/27/41/47/183274147.db2.gz FWRXSQUJIMLONV-UHFFFAOYSA-N -1 3 241.281 2.950 20 0 BFADHM CCCN(CC1CC1)C(=O)c1cc(C)ccc1[O-] ZINC000042208486 169136432 /nfs/dbraw/zinc/13/64/32/169136432.db2.gz NUACSCQINQSZTD-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCCN(CC1CC1)C(=O)c1ccc([O-])c(C)c1 ZINC000226952329 169136704 /nfs/dbraw/zinc/13/67/04/169136704.db2.gz JINXPXXBORRTDW-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1cc(F)cc(CN2CC3(C2)CCCC3)c1 ZINC000362313620 183258560 /nfs/dbraw/zinc/25/85/60/183258560.db2.gz VQUTYASXRFQMSY-UHFFFAOYSA-N -1 3 235.302 2.907 20 0 BFADHM [O-]c1ccc(-c2ccc3c(c2)OCO3)c(F)c1 ZINC000065340866 183264152 /nfs/dbraw/zinc/26/41/52/183264152.db2.gz RLRLBWTWNGFWDH-UHFFFAOYSA-N -1 3 232.210 2.927 20 0 BFADHM [O-]c1cccc(CNC2CC(F)(F)C2)c1Cl ZINC000293167317 183290080 /nfs/dbraw/zinc/29/00/80/183290080.db2.gz GGKFSGUBLTZZEO-UHFFFAOYSA-N -1 3 247.672 2.933 20 0 BFADHM O=c1[n-]c(-c2cncs2)nc2cc(F)ccc12 ZINC000342240860 183306555 /nfs/dbraw/zinc/30/65/55/183306555.db2.gz GJQBLXIPJNTQGK-UHFFFAOYSA-N -1 3 247.254 2.598 20 0 BFADHM O=c1[n-]c(-c2cccc3ccccc32)no1 ZINC000037926827 183307739 /nfs/dbraw/zinc/30/77/39/183307739.db2.gz LJMQARNCMZDAJE-UHFFFAOYSA-N -1 3 212.208 2.595 20 0 BFADHM CCCSCC(=O)Nc1cc(F)ccc1[O-] ZINC000174888085 169338482 /nfs/dbraw/zinc/33/84/82/169338482.db2.gz MPIZMZHJWYFEJI-UHFFFAOYSA-N -1 3 243.303 2.613 20 0 BFADHM CCC[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000227037072 259624481 /nfs/dbraw/zinc/62/44/81/259624481.db2.gz CWDMNCNPUZITHF-ZYHUDNBSSA-N -1 3 233.311 2.619 20 0 BFADHM C[C@@H](NCCCC(=O)[O-])c1ccccc1Cl ZINC000037417672 383974711 /nfs/dbraw/zinc/97/47/11/383974711.db2.gz CWAZZDOKWHGGIT-SECBINFHSA-N -1 3 241.718 2.855 20 0 BFADHM Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)ccc1[O-] ZINC000336505843 384029663 /nfs/dbraw/zinc/02/96/63/384029663.db2.gz ZCJJNBFCXAVMDI-PHIMTYICSA-N -1 3 233.311 2.714 20 0 BFADHM CCN(CC1CC1)C(=O)c1ccc(C)cc1[O-] ZINC000069238620 384036244 /nfs/dbraw/zinc/03/62/44/384036244.db2.gz RWLCWSGTWDZUTB-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CCc1cccc(C(=O)NCCCC2CC2)c1[O-] ZINC000530957671 384158200 /nfs/dbraw/zinc/15/82/00/384158200.db2.gz HNMTWEKMHRJMMZ-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000335947635 384162905 /nfs/dbraw/zinc/16/29/05/384162905.db2.gz MSOACPNANNKDGC-WCQYABFASA-N -1 3 245.322 2.715 20 0 BFADHM COC(C)(C)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000092141706 384164585 /nfs/dbraw/zinc/16/45/85/384164585.db2.gz JSGGBNHYPLLZMV-UHFFFAOYSA-N -1 3 248.282 2.632 20 0 BFADHM CCC[C@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000133206421 384276778 /nfs/dbraw/zinc/27/67/78/384276778.db2.gz QBPXQEXTZLQALN-VIFPVBQESA-N -1 3 239.290 2.584 20 0 BFADHM CC(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000174065733 384297510 /nfs/dbraw/zinc/29/75/10/384297510.db2.gz WRHAHJOWFAAFTE-LBPRGKRZSA-N -1 3 247.338 2.900 20 0 BFADHM C/C=C/C=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000082551583 384431759 /nfs/dbraw/zinc/43/17/59/384431759.db2.gz GQMFZUMPOKOUDR-ICWBMWKASA-N -1 3 217.268 2.771 20 0 BFADHM CC(C)CO[N-]C(=O)Cc1ccccc1Cl ZINC000135321642 384433631 /nfs/dbraw/zinc/43/36/31/384433631.db2.gz HWBNMZYALDEWHB-UHFFFAOYSA-N -1 3 241.718 2.586 20 0 BFADHM C[C@@H](N(C)C(=O)c1ccccc1[O-])C1(C)CC1 ZINC000175630214 384461845 /nfs/dbraw/zinc/46/18/45/384461845.db2.gz AQSNGUGYOWWLJQ-SNVBAGLBSA-N -1 3 233.311 2.653 20 0 BFADHM O=[S@@](CC1CCCC1)c1cccc([O-])c1 ZINC000184062303 384558553 /nfs/dbraw/zinc/55/85/53/384558553.db2.gz TWLVTTRIGJMMEQ-HNNXBMFYSA-N -1 3 224.325 2.690 20 0 BFADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000518017537 384621824 /nfs/dbraw/zinc/62/18/24/384621824.db2.gz OJIOUQXPJLSKTN-MNOVXSKESA-N -1 3 248.326 2.942 20 0 BFADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ncccc1[O-] ZINC000518017540 384623332 /nfs/dbraw/zinc/62/33/32/384623332.db2.gz OJIOUQXPJLSKTN-WDEREUQCSA-N -1 3 248.326 2.942 20 0 BFADHM Cc1ccc(C(=O)NC[C@@H]2CC=CCC2)c([O-])c1 ZINC000044569567 384658880 /nfs/dbraw/zinc/65/88/80/384658880.db2.gz PDWNCDGNEDGYSH-GFCCVEGCSA-N -1 3 245.322 2.787 20 0 BFADHM Cc1ccc([O-])c(CNCc2ccccc2C)n1 ZINC000103340916 384763545 /nfs/dbraw/zinc/76/35/45/384763545.db2.gz BTBZCQVTAHUIKZ-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM CC1(Cc2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000335000080 384766888 /nfs/dbraw/zinc/76/68/88/384766888.db2.gz PCRQYAWFLCZKJT-UHFFFAOYSA-N -1 3 230.267 2.785 20 0 BFADHM C[C@H](CC(=O)[O-])N(C)Cc1ccc(Cl)s1 ZINC000042489050 384808645 /nfs/dbraw/zinc/80/86/45/384808645.db2.gz SSVSXOXUXZJHKP-SSDOTTSWSA-N -1 3 247.747 2.697 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)c1ccoc1 ZINC000557182308 384864936 /nfs/dbraw/zinc/86/49/36/384864936.db2.gz PXDXKPVVSQFOFZ-UHFFFAOYSA-N -1 3 237.642 2.891 20 0 BFADHM Cc1cccc(C(=O)NC2(C3(C)CC3)CC2)c1[O-] ZINC000398306250 384900562 /nfs/dbraw/zinc/90/05/62/384900562.db2.gz MLNLEWQUQPMCOW-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC[C@@H](C)C2)c1 ZINC000187106629 384912307 /nfs/dbraw/zinc/91/23/07/384912307.db2.gz HEGCLUPIBHJVSG-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM [O-]c1cccc(CNCCC2CC2)c1Cl ZINC000293566060 384994791 /nfs/dbraw/zinc/99/47/91/384994791.db2.gz MPBZCFCARHDFID-UHFFFAOYSA-N -1 3 225.719 2.935 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@H](C)C2)c([O-])c1 ZINC000188421799 385049977 /nfs/dbraw/zinc/04/99/77/385049977.db2.gz RTHSYLHLIIZEFZ-NSHDSACASA-N -1 3 247.338 2.827 20 0 BFADHM Cc1ccnc(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000019844292 385123912 /nfs/dbraw/zinc/12/39/12/385123912.db2.gz TVFQFVGBKMCOBK-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccnc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000019844297 385124272 /nfs/dbraw/zinc/12/42/72/385124272.db2.gz LQIVNIILCYESKE-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(CC1=CCCCC1)[N-]OCc1cccnc1 ZINC000152665932 385201820 /nfs/dbraw/zinc/20/18/20/385201820.db2.gz HGCZQBKZGUKAFP-UHFFFAOYSA-N -1 3 246.310 2.520 20 0 BFADHM Cc1nc(C[N-]c2nc(C(C)C)no2)cs1 ZINC000178371104 385237925 /nfs/dbraw/zinc/23/79/25/385237925.db2.gz IBNKWPPVEMEZCF-UHFFFAOYSA-N -1 3 238.316 2.570 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](C)C2)c1 ZINC000153772936 385278166 /nfs/dbraw/zinc/27/81/66/385278166.db2.gz WVQVRHAUUHXRBT-NWDGAFQWSA-N -1 3 247.338 2.819 20 0 BFADHM CCCCC[S@](=O)c1ccc([O-])cc1 ZINC000178821743 385332222 /nfs/dbraw/zinc/33/22/22/385332222.db2.gz WCNVJSKLANFCTQ-AWEZNQCLSA-N -1 3 212.314 2.690 20 0 BFADHM Cc1cc(C(=O)N2CC[C@H](C)[C@H]2C)ccc1[O-] ZINC000272707189 385327457 /nfs/dbraw/zinc/32/74/57/385327457.db2.gz XHXKHGGEUDOIHZ-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM CC1(C)CC(Cc2nc3cccnc3c(=O)[n-]2)C1 ZINC000359842098 385414737 /nfs/dbraw/zinc/41/47/37/385414737.db2.gz FUSXGCXCKHCAGV-UHFFFAOYSA-N -1 3 243.310 2.709 20 0 BFADHM C[C@@H]1CCC[C@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000182203165 385433986 /nfs/dbraw/zinc/43/39/86/385433986.db2.gz QFGHEVBVFQBYPP-NEPJUHHUSA-N -1 3 247.338 2.948 20 0 BFADHM CCO[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000179698641 385483044 /nfs/dbraw/zinc/48/30/44/385483044.db2.gz LVQZLLILJLCOBK-LBPRGKRZSA-N -1 3 235.327 2.713 20 0 BFADHM CCC[C@H](OC)c1noc(-c2ccccc2[O-])n1 ZINC000157392709 385499606 /nfs/dbraw/zinc/49/96/06/385499606.db2.gz HZMBUYVWOXPLEG-NSHDSACASA-N -1 3 248.282 2.930 20 0 BFADHM Cc1ccc(NC(=O)CCC2CC2)c([O-])c1 ZINC000115707971 385566527 /nfs/dbraw/zinc/56/65/27/385566527.db2.gz XKIJYOPXOAZWDD-UHFFFAOYSA-N -1 3 219.284 2.829 20 0 BFADHM CC[C@@H](C)OCc1nc(-c2ccc([O-])cc2)no1 ZINC000269674319 385623108 /nfs/dbraw/zinc/62/31/08/385623108.db2.gz CLFONPGVWMFRQV-SECBINFHSA-N -1 3 248.282 2.757 20 0 BFADHM CC[C@@H](COC)NCc1cccc([O-])c1Cl ZINC000293513859 385627605 /nfs/dbraw/zinc/62/76/05/385627605.db2.gz IGFNTMOAQXSFGV-JTQLQIEISA-N -1 3 243.734 2.560 20 0 BFADHM CCO[N-]C(=O)Nc1cccc(C(C)C)c1 ZINC000182896701 385718171 /nfs/dbraw/zinc/71/81/71/385718171.db2.gz FLXDWHBLJDWKRE-UHFFFAOYSA-N -1 3 222.288 2.883 20 0 BFADHM CC(C)c1ccc(C(=O)N(C)C(C)C)c([O-])c1 ZINC000271240445 385808098 /nfs/dbraw/zinc/80/80/98/385808098.db2.gz YLMZHXULKPDJKX-UHFFFAOYSA-N -1 3 235.327 2.996 20 0 BFADHM CC1(C)C[C@H]1NCc1c(F)ccc([O-])c1F ZINC000294161666 385815617 /nfs/dbraw/zinc/81/56/17/385815617.db2.gz INSGCRLFJSOQAW-SNVBAGLBSA-N -1 3 227.254 2.559 20 0 BFADHM CCN(Cc1cc(C(=O)[O-])c(C)o1)CC1CC1 ZINC000069238532 385852783 /nfs/dbraw/zinc/85/27/83/385852783.db2.gz RZIBNHKQPUUWPO-UHFFFAOYSA-N -1 3 237.299 2.518 20 0 BFADHM O=C(/C=C/c1cccs1)[N-]OC1CCCC1 ZINC000271835991 385855363 /nfs/dbraw/zinc/85/53/63/385855363.db2.gz XPEHWXXWGRACII-BQYQJAHWSA-N -1 3 237.324 2.752 20 0 BFADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)CC1(F)F ZINC000335019101 385977455 /nfs/dbraw/zinc/97/74/55/385977455.db2.gz ZQPQQOKHCUBXHJ-SNVBAGLBSA-N -1 3 245.200 2.515 20 0 BFADHM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C)cc1[O-] ZINC000187424037 386035579 /nfs/dbraw/zinc/03/55/79/386035579.db2.gz KUQMYVKYGDMQOG-AAEUAGOBSA-N -1 3 247.338 2.961 20 0 BFADHM COC(=O)c1cnc(S[C@H](C)CC(C)C)[n-]1 ZINC000295458112 386037560 /nfs/dbraw/zinc/03/75/60/386037560.db2.gz WXUMHWBQXOAAIY-MRVPVSSYSA-N -1 3 242.344 2.723 20 0 BFADHM CN(C(=O)c1ccc(O)cc1[O-])C1(C)CCCC1 ZINC000334442068 386059633 /nfs/dbraw/zinc/05/96/33/386059633.db2.gz CCAGNLNNERXGGV-UHFFFAOYSA-N -1 3 249.310 2.503 20 0 BFADHM C[C@H]1C[C@H](C)N1Cc1c(F)ccc([O-])c1F ZINC000334441410 386071548 /nfs/dbraw/zinc/07/15/48/386071548.db2.gz ZUXXKNNBOSQWOW-YUMQZZPRSA-N -1 3 227.254 2.653 20 0 BFADHM Cc1cc(C)nc(NC([O-])=NOC2CCCC2)c1 ZINC000274154783 386077068 /nfs/dbraw/zinc/07/70/68/386077068.db2.gz GKRXVJHZCLWFHR-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM Cc1cc(C)nc(NC(=O)[N-]OC2CCCC2)c1 ZINC000274154783 386077074 /nfs/dbraw/zinc/07/70/74/386077074.db2.gz GKRXVJHZCLWFHR-UHFFFAOYSA-N -1 3 249.314 2.694 20 0 BFADHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cccc(C)c1[O-] ZINC000187433268 386158196 /nfs/dbraw/zinc/15/81/96/386158196.db2.gz VIOCUGHSNJDERW-GXFFZTMASA-N -1 3 247.338 2.961 20 0 BFADHM CSc1cccc(NC([O-])=NOC(C)C)c1 ZINC000296104306 386138661 /nfs/dbraw/zinc/13/86/61/386138661.db2.gz GGTGMNLYKKWBLQ-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM CSc1cccc(NC(=O)[N-]OC(C)C)c1 ZINC000296104306 386138667 /nfs/dbraw/zinc/13/86/67/386138667.db2.gz GGTGMNLYKKWBLQ-UHFFFAOYSA-N -1 3 240.328 2.870 20 0 BFADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(F)c(F)c1 ZINC000288539936 386213122 /nfs/dbraw/zinc/21/31/22/386213122.db2.gz KTJVZTYPSSMLTC-ZCFIWIBFSA-N -1 3 249.207 2.797 20 0 BFADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(F)cc1F ZINC000288644918 386225830 /nfs/dbraw/zinc/22/58/30/386225830.db2.gz USNXRVNKMVUOEA-ZCFIWIBFSA-N -1 3 249.207 2.797 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccsc2)n1 ZINC000339116335 386258172 /nfs/dbraw/zinc/25/81/72/386258172.db2.gz LAHHSRZLTGSVNH-IHWYPQMZSA-N -1 3 218.281 2.723 20 0 BFADHM Cc1ccc(C(=O)N2CCCC[C@@H](C)C2)c([O-])c1 ZINC000187085069 386308629 /nfs/dbraw/zinc/30/86/29/386308629.db2.gz FZCZOAQILCQNLW-GFCCVEGCSA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)(CF)NC(=O)c1cc([O-])ccc1Cl ZINC000334482291 386310435 /nfs/dbraw/zinc/31/04/35/386310435.db2.gz WMKUPDUKNLOGHI-UHFFFAOYSA-N -1 3 245.681 2.524 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424982793 386274950 /nfs/dbraw/zinc/27/49/50/386274950.db2.gz ORRZWIQERARQQC-WCQYABFASA-N -1 3 245.322 2.619 20 0 BFADHM Cc1cccc(C(=O)N[C@@H]2C[C@H]2C2CCC2)c1[O-] ZINC000424980523 386275818 /nfs/dbraw/zinc/27/58/18/386275818.db2.gz KPXCZVAWDLYITL-QWHCGFSZSA-N -1 3 245.322 2.619 20 0 BFADHM CC(C)c1csc(C[N-]C(=O)C(C)(F)F)n1 ZINC000289274163 386280299 /nfs/dbraw/zinc/28/02/99/386280299.db2.gz RUGMOWNQIAVTEW-UHFFFAOYSA-N -1 3 248.298 2.538 20 0 BFADHM Cc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000226717881 386369256 /nfs/dbraw/zinc/36/92/56/386369256.db2.gz OUFOEQUAYRJCPL-PWSUYJOCSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c([O-])c1 ZINC000276503294 386335740 /nfs/dbraw/zinc/33/57/40/386335740.db2.gz JSTHAJNUGMLNJG-QWRGUYRKSA-N -1 3 247.338 2.683 20 0 BFADHM CCN(C)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276512938 386339059 /nfs/dbraw/zinc/33/90/59/386339059.db2.gz YJFOZGHAYDQTQD-UHFFFAOYSA-N -1 3 247.216 2.503 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2CC=CCC2)ccc1[O-] ZINC000227022955 386447373 /nfs/dbraw/zinc/44/73/73/386447373.db2.gz MZERSSHEOMIICS-GFCCVEGCSA-N -1 3 245.322 2.787 20 0 BFADHM CC(F)(F)CC(=O)Nc1cc(F)ccc1[O-] ZINC000277335627 386428761 /nfs/dbraw/zinc/42/87/61/386428761.db2.gz MOZHDQLCUXOYHM-UHFFFAOYSA-N -1 3 233.189 2.515 20 0 BFADHM Cc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000016645007 386481571 /nfs/dbraw/zinc/48/15/71/386481571.db2.gz DDQNVFRBZRVDPQ-UHFFFAOYSA-N -1 3 241.290 2.631 20 0 BFADHM CCc1cc(C(=O)NOC2CCCC2)ccc1[O-] ZINC000291764256 386579052 /nfs/dbraw/zinc/57/90/52/386579052.db2.gz VUHXVZSMYBWTOR-UHFFFAOYSA-N -1 3 249.310 2.559 20 0 BFADHM CC[C@@H]([N-]C(=O)C(F)F)c1ccc(F)cc1F ZINC000279246793 386655470 /nfs/dbraw/zinc/65/54/70/386655470.db2.gz TZJOSPFEZTUZMM-SECBINFHSA-N -1 3 249.207 2.797 20 0 BFADHM O=C(Nc1ccccc1[O-])C1CC2(CCC2)C1 ZINC000335514739 386652064 /nfs/dbraw/zinc/65/20/64/386652064.db2.gz LCJIZKKAXVNEGJ-UHFFFAOYSA-N -1 3 231.295 2.911 20 0 BFADHM CC[C@@H](CC(=O)Nc1ncccc1[O-])C(C)C ZINC000104824916 386606285 /nfs/dbraw/zinc/60/62/85/386606285.db2.gz OQQJYYRPADRFFU-JTQLQIEISA-N -1 3 236.315 2.798 20 0 BFADHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1cccs1 ZINC000292078571 386616266 /nfs/dbraw/zinc/61/62/66/386616266.db2.gz DJENKZAFBPMFIA-VQCYPWCPSA-N -1 3 239.340 2.855 20 0 BFADHM CCc1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292673694 386707861 /nfs/dbraw/zinc/70/78/61/386707861.db2.gz MHXXUHXZSPBRRL-UHFFFAOYSA-N -1 3 234.299 2.712 20 0 BFADHM O=C(N[C@H](C1CC1)C1CCC1)c1ccccc1[O-] ZINC000325297309 386773899 /nfs/dbraw/zinc/77/38/99/386773899.db2.gz OPADRNOYUHGQDR-AWEZNQCLSA-N -1 3 245.322 2.701 20 0 BFADHM CCc1cc(C(=O)NCC=C(C)C)ccc1[O-] ZINC000293085069 386776628 /nfs/dbraw/zinc/77/66/28/386776628.db2.gz YMWJGZMTVBFJDI-UHFFFAOYSA-N -1 3 233.311 2.651 20 0 BFADHM Cc1ccc(C(=O)N(C)[C@H](C)C2CCC2)c([O-])c1 ZINC000325314964 386782519 /nfs/dbraw/zinc/78/25/19/386782519.db2.gz BHTJLKYOBVHVQR-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@@]1(NC(=O)c2ccccc2[O-])CC=CCC1 ZINC000398387816 386818362 /nfs/dbraw/zinc/81/83/62/386818362.db2.gz PVHDLOGXSZSUSR-CQSZACIVSA-N -1 3 231.295 2.621 20 0 BFADHM CO[C@H]1CCCC[C@H]1[N-]c1nc(C(C)C)no1 ZINC000301457536 386844631 /nfs/dbraw/zinc/84/46/31/386844631.db2.gz NGUBBTNAKYFJNK-ZJUUUORDSA-N -1 3 239.319 2.563 20 0 BFADHM CC(C)[C@H]1N(C(=O)c2ccccc2[O-])CC1(C)C ZINC000293822158 386884486 /nfs/dbraw/zinc/88/44/86/386884486.db2.gz HOTQOTZJPSIZAY-CYBMUJFWSA-N -1 3 247.338 2.899 20 0 BFADHM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000293836648 386886259 /nfs/dbraw/zinc/88/62/59/386886259.db2.gz QGGVXBQAQOFFAE-MFKMUULPSA-N -1 3 249.310 2.536 20 0 BFADHM Cc1o[n-]c(=NC(=O)c2ccc(C)c(C)c2)c1C ZINC000334857465 386908660 /nfs/dbraw/zinc/90/86/60/386908660.db2.gz YIJIZUVIEBVGHS-UHFFFAOYSA-N -1 3 244.294 2.582 20 0 BFADHM CCc1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000335767807 386911762 /nfs/dbraw/zinc/91/17/62/386911762.db2.gz VWFJVGYIBXJMKL-AOOOYVTPSA-N -1 3 233.311 2.578 20 0 BFADHM CC1(C)CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000094273028 386941108 /nfs/dbraw/zinc/94/11/08/386941108.db2.gz AFEGFKZMYPZDEC-LBPRGKRZSA-N -1 3 233.311 2.701 20 0 BFADHM CCC[C@](C)(CC)C(=O)Nc1ncccc1[O-] ZINC000331056883 386952157 /nfs/dbraw/zinc/95/21/57/386952157.db2.gz LLVYVXNLOYSMEN-ZDUSSCGKSA-N -1 3 236.315 2.942 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2nc(C)ccc2[O-])o1 ZINC000334984024 387071361 /nfs/dbraw/zinc/07/13/61/387071361.db2.gz QYTONYPMSNTZRO-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CCc1ccc(C(=O)Nc2ccncc2)c([O-])c1 ZINC000188663107 387076826 /nfs/dbraw/zinc/07/68/26/387076826.db2.gz LBECLWRFAVVELH-UHFFFAOYSA-N -1 3 242.278 2.602 20 0 BFADHM Cc1nc(C(=O)Nc2c(C)cccc2[O-])c(C)o1 ZINC000336240943 387079441 /nfs/dbraw/zinc/07/94/41/387079441.db2.gz WPJQMRHKOFLAEI-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM [O-]c1ccc(-c2noc(C3CC=CC3)n2)cc1 ZINC000334995735 387085926 /nfs/dbraw/zinc/08/59/26/387085926.db2.gz IDSKOACSXRCBFM-UHFFFAOYSA-N -1 3 228.251 2.876 20 0 BFADHM C[C@@H](CC1CCCC1)C(=O)Nc1ncccc1[O-] ZINC000114536693 387125951 /nfs/dbraw/zinc/12/59/51/387125951.db2.gz IDANOTDQKOPSEJ-JTQLQIEISA-N -1 3 248.326 2.942 20 0 BFADHM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000229426687 387166464 /nfs/dbraw/zinc/16/64/64/387166464.db2.gz VOBJJRLHSKFWLO-IJLUTSLNSA-N -1 3 247.338 2.899 20 0 BFADHM Cc1ccc(C(=O)NCC2(C3CC3)CC2)c([O-])c1 ZINC000120551490 387190566 /nfs/dbraw/zinc/19/05/66/387190566.db2.gz LXISFLVAPKTSMC-UHFFFAOYSA-N -1 3 245.322 2.621 20 0 BFADHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cccs1 ZINC000572168624 387255095 /nfs/dbraw/zinc/25/50/95/387255095.db2.gz FJKMWWJJNWFQQK-NSHDSACASA-N -1 3 241.356 2.679 20 0 BFADHM Cc1cscc1NC(=O)[N-]c1cnns1 ZINC000336461121 387290427 /nfs/dbraw/zinc/29/04/27/387290427.db2.gz CGSBBHPHHMRSRX-UHFFFAOYSA-N -1 3 240.313 2.552 20 0 BFADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000424763174 387356261 /nfs/dbraw/zinc/35/62/61/387356261.db2.gz PEELNOMPJKFUNH-NXEZZACHSA-N -1 3 234.299 2.552 20 0 BFADHM CC(=O)c1cccc(NC(=O)C2(C)CCC2)c1[O-] ZINC000336512422 387336219 /nfs/dbraw/zinc/33/62/19/387336219.db2.gz HXOROMLXZBSRPX-UHFFFAOYSA-N -1 3 247.294 2.724 20 0 BFADHM C[C@@H](F)CCNCc1c(F)ccc([O-])c1F ZINC000354199686 387344532 /nfs/dbraw/zinc/34/45/32/387344532.db2.gz HCVWENBIQQFEBD-SSDOTTSWSA-N -1 3 233.233 2.508 20 0 BFADHM Cc1cc(CN(C(C)C)C2CC2)oc1C(=O)[O-] ZINC000521446498 387446323 /nfs/dbraw/zinc/44/63/23/387446323.db2.gz CJQDZMVWTOIFKI-UHFFFAOYSA-N -1 3 237.299 2.659 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)n1 ZINC000361611046 387510557 /nfs/dbraw/zinc/51/05/57/387510557.db2.gz OXRDXAPBUFOKKF-IINYFYTJSA-N -1 3 248.326 2.716 20 0 BFADHM C[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000516116578 387465758 /nfs/dbraw/zinc/46/57/58/387465758.db2.gz OHUSUUSRXJQKFP-LLVKDONJSA-N -1 3 228.295 2.638 20 0 BFADHM CC(C)(C)CCNC(=O)c1ccccc1[O-] ZINC000031760572 387488966 /nfs/dbraw/zinc/48/89/66/387488966.db2.gz SPQNDXIFHDEKAD-UHFFFAOYSA-N -1 3 221.300 2.558 20 0 BFADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)oc1C ZINC000124615162 387625332 /nfs/dbraw/zinc/62/53/32/387625332.db2.gz BAWNWNLBGWVNLK-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000397156486 387548436 /nfs/dbraw/zinc/54/84/36/387548436.db2.gz OPCAHBXMHPLBHX-GXTWGEPZSA-N -1 3 233.311 2.557 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cccc(C)c1[O-] ZINC000399704824 387568343 /nfs/dbraw/zinc/56/83/43/387568343.db2.gz XDAVVKAVYXFNOT-ZYHUDNBSSA-N -1 3 247.338 2.961 20 0 BFADHM CCc1cc(C(=O)N(C)CC2CCC2)ccc1[O-] ZINC000362782354 387657764 /nfs/dbraw/zinc/65/77/64/387657764.db2.gz QLZNXVLNGUHIOG-UHFFFAOYSA-N -1 3 247.338 2.827 20 0 BFADHM CCO[N-]C(=O)Cc1c2ccccc2oc1CC ZINC000527784301 387712999 /nfs/dbraw/zinc/71/29/99/387712999.db2.gz CVYHFGVZZHKTIB-UHFFFAOYSA-N -1 3 247.294 2.605 20 0 BFADHM Cc1cc(C(=O)Nc2ccccc2[O-])c(C)o1 ZINC000048392170 387780675 /nfs/dbraw/zinc/78/06/75/387780675.db2.gz SIPBJBNFSCTNIV-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM CC[C@@H](C)C[S@@](=O)c1ccc([O-])cc1 ZINC000151372335 387832018 /nfs/dbraw/zinc/83/20/18/387832018.db2.gz KRXVPBMAADPCNV-OTYXRUKQSA-N -1 3 212.314 2.546 20 0 BFADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])ccn1 ZINC000105790258 387930988 /nfs/dbraw/zinc/93/09/88/387930988.db2.gz DDDXVIAWRISPTK-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1ccc([O-])cc1F)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245999213 388000837 /nfs/dbraw/zinc/00/08/37/388000837.db2.gz ODUFKWWZPBMQJE-GDGBQDQQSA-N -1 3 235.258 2.516 20 0 BFADHM O=C(C[C@H]1C=CCC1)Nc1ccc([O-])cc1F ZINC000085203839 388085278 /nfs/dbraw/zinc/08/52/78/388085278.db2.gz HGIRKVIGXARYJW-VIFPVBQESA-N -1 3 235.258 2.826 20 0 BFADHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)c(C)o1 ZINC000085203875 388085479 /nfs/dbraw/zinc/08/54/79/388085479.db2.gz OBUVAOZAGAUJKP-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2C[C@H]2C(C)C)ccc1[O-] ZINC000456307215 388194231 /nfs/dbraw/zinc/19/42/31/388194231.db2.gz ZDLQXMLMTFPDNE-STQMWFEESA-N -1 3 247.338 2.723 20 0 BFADHM CC[C@@H]1C[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000449484202 388216490 /nfs/dbraw/zinc/21/64/90/388216490.db2.gz LOEAKYXEEOVNFB-BDAKNGLRSA-N -1 3 241.281 2.806 20 0 BFADHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc[nH]1 ZINC000491971315 388329974 /nfs/dbraw/zinc/32/99/74/388329974.db2.gz GPYAOPASIPSUAO-FPLPWBNLSA-N -1 3 242.278 2.681 20 0 BFADHM O=C(/C=C\c1ccc[nH]1)Nc1cc(F)ccc1[O-] ZINC000491989040 388330784 /nfs/dbraw/zinc/33/07/84/388330784.db2.gz HUTAYHJLKXXKBJ-XQRVVYSFSA-N -1 3 246.241 2.511 20 0 BFADHM C/C=C(/C=C\C(=O)Nc1ncccc1[O-])CC ZINC000492423726 388344151 /nfs/dbraw/zinc/34/41/51/388344151.db2.gz YESQOONAJCFLBT-REHGSKIZSA-N -1 3 232.283 2.638 20 0 BFADHM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[O-] ZINC000226713577 388354493 /nfs/dbraw/zinc/35/44/93/388354493.db2.gz PWLQOLIHENHBHU-UHFFFAOYSA-N -1 3 233.311 2.573 20 0 BFADHM CC1(C)C[C@@H]1NCc1cccc([O-])c1Cl ZINC000293673536 388390483 /nfs/dbraw/zinc/39/04/83/388390483.db2.gz UYZCKWMSMMQZCV-JTQLQIEISA-N -1 3 225.719 2.934 20 0 BFADHM CCC1(CC)CN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000294581833 388402617 /nfs/dbraw/zinc/40/26/17/388402617.db2.gz YGCFYDFXVVUTGR-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM C/C=C(/C=C\C(=O)[N-]OCC(F)(F)F)CC ZINC000492118843 388335710 /nfs/dbraw/zinc/33/57/10/388335710.db2.gz NGIZEHHDXCYUSI-YUIXOEGZSA-N -1 3 237.221 2.509 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1CC=CCC1 ZINC000649233944 388465275 /nfs/dbraw/zinc/46/52/75/388465275.db2.gz LKMYFGWNUGYHME-LLVKDONJSA-N -1 3 247.342 2.558 20 0 BFADHM Cc1ccoc1CNC(=O)c1cc(C)ccc1[O-] ZINC000336792221 388471577 /nfs/dbraw/zinc/47/15/77/388471577.db2.gz RCCUHBLKYAZCHQ-UHFFFAOYSA-N -1 3 245.278 2.532 20 0 BFADHM CO[C@@H](C)[C@@H](C)NCc1cccc([O-])c1Cl ZINC000339369264 388483070 /nfs/dbraw/zinc/48/30/70/388483070.db2.gz DLDRDYFDVJLNKS-BDAKNGLRSA-N -1 3 243.734 2.559 20 0 BFADHM C[C@H](F)CCNCc1cccc([O-])c1Cl ZINC000339485604 388483610 /nfs/dbraw/zinc/48/36/10/388483610.db2.gz QHAOWPPXBJYTCG-QMMMGPOBSA-N -1 3 231.698 2.883 20 0 BFADHM C[C@@H](CCC1CC1)NC(=O)c1cccc([O-])c1 ZINC000347828284 388524030 /nfs/dbraw/zinc/52/40/30/388524030.db2.gz NHAKTKYOWNHIKD-JTQLQIEISA-N -1 3 233.311 2.701 20 0 BFADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)C(C)(F)F ZINC000328223527 388587137 /nfs/dbraw/zinc/58/71/37/388587137.db2.gz ZHVMAJHMJZZWOS-ZCFIWIBFSA-N -1 3 247.216 2.761 20 0 BFADHM CC/C=C/CCN1CCc2occc2[C@H]1C(=O)[O-] ZINC000530165918 388618308 /nfs/dbraw/zinc/61/83/08/388618308.db2.gz KCWDQEWFZVGRLB-OOPCZODUSA-N -1 3 249.310 2.620 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1[C@H](C)[C@H]1C1CC1 ZINC000528952018 388586019 /nfs/dbraw/zinc/58/60/19/388586019.db2.gz ZRKSJOSRJUPEGC-JIMOISOXSA-N -1 3 245.322 2.931 20 0 BFADHM CC/C=C/CCN1CCc2occc2[C@@H]1C(=O)[O-] ZINC000530165917 388618529 /nfs/dbraw/zinc/61/85/29/388618529.db2.gz KCWDQEWFZVGRLB-ITDFMYJTSA-N -1 3 249.310 2.620 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@@H]1CC2CCC1CC2 ZINC000551947782 388648348 /nfs/dbraw/zinc/64/83/48/388648348.db2.gz SBKFRFRGNHLZOL-VQXHTEKXSA-N -1 3 246.310 2.552 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])C1=CCCC1 ZINC000126563327 388697584 /nfs/dbraw/zinc/69/75/84/388697584.db2.gz YLUFXBHPNQHIEO-UHFFFAOYSA-N -1 3 221.231 2.580 20 0 BFADHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccs1 ZINC000195213946 388700563 /nfs/dbraw/zinc/70/05/63/388700563.db2.gz WPTPESJVAOQYLX-VIFPVBQESA-N -1 3 247.385 2.605 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1[O-] ZINC000226714169 388727809 /nfs/dbraw/zinc/72/78/09/388727809.db2.gz VARDHFCBXNEBPT-GHMZBOCLSA-N -1 3 247.338 2.819 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@@H]2CC)c1[O-] ZINC000554299054 388806366 /nfs/dbraw/zinc/80/63/66/388806366.db2.gz UOCPRGJIWNIDTH-NSHDSACASA-N -1 3 233.311 2.579 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2cccc([O-])c2F)o1 ZINC000129177763 388823424 /nfs/dbraw/zinc/82/34/24/388823424.db2.gz FTFCRAFHASBTIS-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000230687958 388828891 /nfs/dbraw/zinc/82/88/91/388828891.db2.gz NGASQKXAPWBNPG-GHMZBOCLSA-N -1 3 233.311 2.558 20 0 BFADHM C[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000230687967 388829637 /nfs/dbraw/zinc/82/96/37/388829637.db2.gz NGASQKXAPWBNPG-QWRGUYRKSA-N -1 3 233.311 2.558 20 0 BFADHM O=C([O-])[C@@H]1CC12CCN(CC1=CCCCC1)CC2 ZINC000564738866 388884809 /nfs/dbraw/zinc/88/48/09/388884809.db2.gz SYDYCLUWFPFTCQ-ZDUSSCGKSA-N -1 3 249.354 2.674 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)CC2(C)C)c1 ZINC000271455410 389021144 /nfs/dbraw/zinc/02/11/44/389021144.db2.gz XXZMBFQOQKLJOK-LLVKDONJSA-N -1 3 247.338 2.961 20 0 BFADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000272745670 389035991 /nfs/dbraw/zinc/03/59/91/389035991.db2.gz MZMFWZVINKHVNW-GWCFXTLKSA-N -1 3 233.311 2.701 20 0 BFADHM CC(C)[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000070125034 132391162 /nfs/dbraw/zinc/39/11/62/132391162.db2.gz RXZGIDBRUUFMDB-LLVKDONJSA-N -1 3 247.338 2.964 20 0 BFADHM CCC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000335934805 134012007 /nfs/dbraw/zinc/01/20/07/134012007.db2.gz GDAKUAXMAFEPOD-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CC1(C)CC(C(=O)Nc2ccccc2[O-])C1 ZINC000335941269 134017902 /nfs/dbraw/zinc/01/79/02/134017902.db2.gz JRKFIHCHIHIWBF-UHFFFAOYSA-N -1 3 219.284 2.767 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1cc([O-])cc(F)c1 ZINC000352021944 134037413 /nfs/dbraw/zinc/03/74/13/134037413.db2.gz NFZCIQGUKPBPNQ-ZDUSSCGKSA-N -1 3 223.291 2.762 20 0 BFADHM Cc1cc(=O)[n-]c(C=CC=Cc2ccccc2)n1 ZINC000352029147 134044073 /nfs/dbraw/zinc/04/40/73/134044073.db2.gz XTAZVNBZBXXROE-NXZHAISVSA-N -1 3 238.290 2.805 20 0 BFADHM C[C@H]1C[C@@H]1CC(=O)Nc1ccc([O-])cc1F ZINC000336016262 134053420 /nfs/dbraw/zinc/05/34/20/134053420.db2.gz RZUUYOXJOGLYHE-JGVFFNPUSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1C ZINC000336157922 134106602 /nfs/dbraw/zinc/10/66/02/134106602.db2.gz LIQSZYIQCADMRZ-UWVGGRQHSA-N -1 3 233.311 2.632 20 0 BFADHM O=C(c1cccc([O-])c1)N1CCC2(CCCC2)C1 ZINC000182526055 134345533 /nfs/dbraw/zinc/34/55/33/134345533.db2.gz WTWOJXLOGUPMDD-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM Cc1cccc([O-])c1NC(=O)CCc1ccco1 ZINC000183020635 134350294 /nfs/dbraw/zinc/35/02/94/134350294.db2.gz ZGFNBYPVEPIOJG-UHFFFAOYSA-N -1 3 245.278 2.865 20 0 BFADHM [O-]c1cc(F)cc(CNCc2ccc(F)cc2)c1 ZINC000184132087 134358860 /nfs/dbraw/zinc/35/88/60/134358860.db2.gz DPYUBRWWQDDSIV-UHFFFAOYSA-N -1 3 249.260 2.960 20 0 BFADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccn1 ZINC000184133193 134358896 /nfs/dbraw/zinc/35/88/96/134358896.db2.gz BASYHZZXKUTXAO-SNVBAGLBSA-N -1 3 246.285 2.777 20 0 BFADHM [O-]c1cc(F)cc(CNc2cccc(CO)c2)c1 ZINC000184137650 134359074 /nfs/dbraw/zinc/35/90/74/134359074.db2.gz CWOPETOONLHAMC-UHFFFAOYSA-N -1 3 247.269 2.636 20 0 BFADHM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2C)ccc1[O-] ZINC000227033336 134373590 /nfs/dbraw/zinc/37/35/90/134373590.db2.gz GJCZLBDTQQTUQA-KOLCDFICSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)cn1 ZINC000227041424 134373613 /nfs/dbraw/zinc/37/36/13/134373613.db2.gz YNIFNDSEVCPLIL-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2C)ccc1[O-] ZINC000227033324 134373721 /nfs/dbraw/zinc/37/37/21/134373721.db2.gz GJCZLBDTQQTUQA-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000227038967 134373878 /nfs/dbraw/zinc/37/38/78/134373878.db2.gz HNEQUIGZYKVDJU-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM Cc1cccc(C(=O)NC[C@@H]2CC=CCC2)c1[O-] ZINC000044569359 322842656 /nfs/dbraw/zinc/84/26/56/322842656.db2.gz RLIHZYAEPUAQAA-GFCCVEGCSA-N -1 3 245.322 2.787 20 0 BFADHM O=C(Nc1ccccc1[O-])c1ccc(Cl)cn1 ZINC000334226682 135330347 /nfs/dbraw/zinc/33/03/47/135330347.db2.gz AJGZHQFERYIDTN-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C([O-])c1cccc(CN2CCCC3(CC3)C2)c1 ZINC000263431016 135353410 /nfs/dbraw/zinc/35/34/10/135353410.db2.gz SAYHRMPVOQRLLQ-UHFFFAOYSA-N -1 3 245.322 2.761 20 0 BFADHM Cc1cc(C)nc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263438538 135354709 /nfs/dbraw/zinc/35/47/09/135354709.db2.gz VKJBGINMUTXGCP-UHFFFAOYSA-N -1 3 248.326 2.754 20 0 BFADHM Cc1csc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000080127312 135367351 /nfs/dbraw/zinc/36/73/51/135367351.db2.gz DGRQVNCDBIMZKQ-UHFFFAOYSA-N -1 3 232.264 2.553 20 0 BFADHM [O-]c1cccnc1CNC/C=C/c1ccccc1 ZINC000348015478 136021517 /nfs/dbraw/zinc/02/15/17/136021517.db2.gz XTLIMKITWPZQLS-XBXARRHUSA-N -1 3 240.306 2.590 20 0 BFADHM CC1(F)CC(NCc2c(F)ccc([O-])c2F)C1 ZINC000335374823 136084967 /nfs/dbraw/zinc/08/49/67/136084967.db2.gz UQPGESDVLHYIFY-UHFFFAOYSA-N -1 3 245.244 2.651 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC=C(C)C2)c1 ZINC000335385309 136088502 /nfs/dbraw/zinc/08/85/02/136088502.db2.gz IELQPQPDEGUSTF-UHFFFAOYSA-N -1 3 245.322 2.747 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC12CC2 ZINC000335551743 136098341 /nfs/dbraw/zinc/09/83/41/136098341.db2.gz VHSZSYRPFPLGOT-QMMMGPOBSA-N -1 3 237.686 2.784 20 0 BFADHM Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)c([O-])c1 ZINC000050566645 322851733 /nfs/dbraw/zinc/85/17/33/322851733.db2.gz GQRCWMABEIZHRW-RYUDHWBXSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)NCCCC(C)C)c1[O-] ZINC000063242593 322860094 /nfs/dbraw/zinc/86/00/94/322860094.db2.gz WCTVXGQIFQTJAV-UHFFFAOYSA-N -1 3 235.327 2.867 20 0 BFADHM CCc1cc(C(=O)NC(C)(C)CC)ccc1[O-] ZINC000291550868 398094798 /nfs/dbraw/zinc/09/47/98/398094798.db2.gz WPNLPVJEMMOSRX-UHFFFAOYSA-N -1 3 235.327 2.873 20 0 BFADHM CCCN(C)Cc1c(Cl)cccc1C(=O)[O-] ZINC000566074725 398095196 /nfs/dbraw/zinc/09/51/96/398095196.db2.gz QUCSVDUIEUJVPM-UHFFFAOYSA-N -1 3 241.718 2.880 20 0 BFADHM CCc1cccc(C(=O)N2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000530986267 398087713 /nfs/dbraw/zinc/08/77/13/398087713.db2.gz CZSVAYWRFQPNGZ-QWRGUYRKSA-N -1 3 247.338 2.683 20 0 BFADHM 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CC(C)ON=C([O-])Nc1ncc(C(C)C)s1 ZINC000298485714 167277072 /nfs/dbraw/zinc/27/70/72/167277072.db2.gz QFHPSBDUXQUXQO-UHFFFAOYSA-N -1 3 243.332 2.728 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ncc(C(C)C)s1 ZINC000298485714 167277074 /nfs/dbraw/zinc/27/70/74/167277074.db2.gz QFHPSBDUXQUXQO-UHFFFAOYSA-N -1 3 243.332 2.728 20 0 BFADHM CC(C)CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000058010691 487601044 /nfs/dbraw/zinc/60/10/44/487601044.db2.gz XKKLCACOCSRUNP-UHFFFAOYSA-N -1 3 233.311 2.747 20 0 BFADHM Cc1cccc(-c2nc(C3CC3)no2)c1[O-] ZINC000082644407 410079760 /nfs/dbraw/zinc/07/97/60/410079760.db2.gz BVELVLHHQLLUTL-UHFFFAOYSA-N -1 3 216.240 2.628 20 0 BFADHM CC(C)OCCCC(=O)Nc1ccccc1[O-] ZINC000182311617 167205065 /nfs/dbraw/zinc/20/50/65/167205065.db2.gz YOZSJBUCYLRLLO-UHFFFAOYSA-N -1 3 237.299 2.536 20 0 BFADHM CC(C)O[N-]C(=O)C/C=C/c1ccc(F)cc1 ZINC000297374022 167274706 /nfs/dbraw/zinc/27/47/06/167274706.db2.gz ZYJQSVGKIXSZSO-ONEGZZNKSA-N -1 3 237.274 2.685 20 0 BFADHM CC(C)O[N-]C(=O)C[C@@H](C)c1ccccc1F ZINC000295707532 167275595 /nfs/dbraw/zinc/27/55/95/167275595.db2.gz OZKKDSBKCDOTLG-SNVBAGLBSA-N -1 3 239.290 2.776 20 0 BFADHM CC(C)ON=C([O-])Nc1cc(F)c(F)cc1F ZINC000296316170 167276237 /nfs/dbraw/zinc/27/62/37/167276237.db2.gz AUJMGEWJQBNYLW-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM CC(C)O[N-]C(=O)Nc1cc(F)c(F)cc1F ZINC000296316170 167276239 /nfs/dbraw/zinc/27/62/39/167276239.db2.gz AUJMGEWJQBNYLW-UHFFFAOYSA-N -1 3 248.204 2.565 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN1[C@@H](C)CC[C@@H]1C ZINC000652440603 411243063 /nfs/dbraw/zinc/24/30/63/411243063.db2.gz KGJQAAGVTJFRIT-IUCAKERBSA-N -1 3 237.299 2.659 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2(C)CC=CC2)c1 ZINC000654006837 411311173 /nfs/dbraw/zinc/31/11/73/411311173.db2.gz GWSOJWJZJHOABC-UHFFFAOYSA-N -1 3 231.295 2.539 20 0 BFADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1[O-] ZINC000403689669 411354219 /nfs/dbraw/zinc/35/42/19/411354219.db2.gz YGQGWANZUIUJAT-RAIGVLPGSA-N -1 3 245.322 2.619 20 0 BFADHM CC(C)c1noc([N-]Cc2nccn2C(C)C)n1 ZINC000656773154 411354607 /nfs/dbraw/zinc/35/46/07/411354607.db2.gz WAUXVLFPRULBHU-UHFFFAOYSA-N -1 3 249.318 2.583 20 0 BFADHM CC1=C(C)CN(C(=O)c2ccccc2[O-])CC1 ZINC000334359324 168082454 /nfs/dbraw/zinc/08/24/54/168082454.db2.gz VXBCLNFHYZMFGQ-UHFFFAOYSA-N -1 3 231.295 2.575 20 0 BFADHM Cc1ccc(C(=O)N2CC=C(C)CC2)c([O-])c1C ZINC000270286236 168108226 /nfs/dbraw/zinc/10/82/26/168108226.db2.gz XVRZTQQXGDQLIV-UHFFFAOYSA-N -1 3 245.322 2.801 20 0 BFADHM CCC(C)(C)C(=O)[N-]OCc1ccc(F)cc1 ZINC000184261029 168266139 /nfs/dbraw/zinc/26/61/39/168266139.db2.gz GPUOQGRRPMLFDU-UHFFFAOYSA-N -1 3 239.290 2.810 20 0 BFADHM CCC(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000112206714 168267066 /nfs/dbraw/zinc/26/70/66/168267066.db2.gz PGHZZCPYNWAIKP-UHFFFAOYSA-N -1 3 221.300 2.671 20 0 BFADHM CCC(C)(C)NC(=O)c1cccc(C)c1[O-] ZINC000019836967 168298071 /nfs/dbraw/zinc/29/80/71/168298071.db2.gz JJMJVHAWYJKKHO-UHFFFAOYSA-N -1 3 221.300 2.619 20 0 BFADHM Cc1cc(C)c(CC(=O)[N-]OC(C)C)c(C)c1 ZINC000295516927 411478688 /nfs/dbraw/zinc/47/86/88/411478688.db2.gz IDMNHSKHCBBZAT-UHFFFAOYSA-N -1 3 235.327 2.611 20 0 BFADHM CCO[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000155464713 170462479 /nfs/dbraw/zinc/46/24/79/170462479.db2.gz FAZPFIMUIFVURA-GFCCVEGCSA-N -1 3 235.327 2.946 20 0 BFADHM CCCCCNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC000660747313 411620923 /nfs/dbraw/zinc/62/09/23/411620923.db2.gz SFOKNVQLOYSUDU-UHFFFAOYSA-N -1 3 237.347 2.506 20 0 BFADHM CC(C)=CCCOc1ccc2c([O-])coc2c1 ZINC000664136718 411868688 /nfs/dbraw/zinc/86/86/88/411868688.db2.gz VEWANOJOLOFWNI-UHFFFAOYSA-N -1 3 232.279 2.997 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)NC2(CC(C)C)CC2)n1 ZINC000662066903 411969459 /nfs/dbraw/zinc/96/94/59/411969459.db2.gz TVZZPACFHLDEIO-LLVKDONJSA-N -1 3 249.358 2.720 20 0 BFADHM CC[C@@H]1CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000131816778 171007498 /nfs/dbraw/zinc/00/74/98/171007498.db2.gz ZYVSNZAQLSPATP-LLVKDONJSA-N -1 3 233.311 2.573 20 0 BFADHM CC[C@@](C)(OC)c1noc(-c2ccccc2[O-])n1 ZINC000227832894 171191812 /nfs/dbraw/zinc/19/18/12/171191812.db2.gz HSALLVOHQSBSLC-CYBMUJFWSA-N -1 3 248.282 2.714 20 0 BFADHM CC[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000082879377 171255206 /nfs/dbraw/zinc/25/52/06/171255206.db2.gz AJONUCBDHSQILR-ZETCQYMHSA-N -1 3 211.236 2.516 20 0 BFADHM CC[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000233987482 171336740 /nfs/dbraw/zinc/33/67/40/171336740.db2.gz VOGHUSRTGGHEMD-ZETCQYMHSA-N -1 3 227.691 2.574 20 0 BFADHM CC(C)C[C@H](CNCc1ccco1)CC(=O)[O-] ZINC000665352010 412282668 /nfs/dbraw/zinc/28/26/68/412282668.db2.gz UUARQVVQZIUQJO-NSHDSACASA-N -1 3 239.315 2.506 20 0 BFADHM CCc1nc([C@@H](C)[N-]C(=O)C(C)(F)F)cs1 ZINC000289252702 172001347 /nfs/dbraw/zinc/00/13/47/172001347.db2.gz PVAXVWCYYTXFKS-ZCFIWIBFSA-N -1 3 248.298 2.538 20 0 BFADHM CCc1nc([C@H](C)[N-]C(=O)C(C)(F)F)cs1 ZINC000289252700 172003995 /nfs/dbraw/zinc/00/39/95/172003995.db2.gz PVAXVWCYYTXFKS-LURJTMIESA-N -1 3 248.298 2.538 20 0 BFADHM CNC(=O)c1cccc(-c2cc([O-])cc(F)c2)c1 ZINC000065340986 173311438 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20 0 BFADHM CCCN(C(=O)c1cc(C)ccc1[O-])C(C)C ZINC000037096479 488027064 /nfs/dbraw/zinc/02/70/64/488027064.db2.gz JPJONLKDLPZJDL-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM Cc1csc(C(=O)[N-]c2cnoc2)c1Cl ZINC000682889174 488060236 /nfs/dbraw/zinc/06/02/36/488060236.db2.gz WAXSIGQPFFXSRB-UHFFFAOYSA-N -1 3 242.687 2.950 20 0 BFADHM C[C@H](c1ccccc1)N(C)Cc1ncccc1[O-] ZINC000685408149 487516467 /nfs/dbraw/zinc/51/64/67/487516467.db2.gz BWESFIIQCSZNFX-GFCCVEGCSA-N -1 3 242.322 2.980 20 0 BFADHM CC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])o1 ZINC000519426070 488173090 /nfs/dbraw/zinc/17/30/90/488173090.db2.gz DCJINWVUGRJSKP-FGWVZKOKSA-N -1 3 249.310 2.741 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccs2)n1 ZINC000167606400 488190757 /nfs/dbraw/zinc/19/07/57/488190757.db2.gz KUZBQTBRKHDVGE-SNAWJCMRSA-N -1 3 218.281 2.723 20 0 BFADHM CCCCCN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432271 488235947 /nfs/dbraw/zinc/23/59/47/488235947.db2.gz UVDMHTDNNWJLTC-UHFFFAOYSA-N -1 3 239.315 2.908 20 0 BFADHM 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588870120 /nfs/dbraw/zinc/87/01/20/588870120.db2.gz WQCAHCNADFAMTL-SNVBAGLBSA-N -1 3 247.285 2.660 20 0 BFADHM CC[C@H](C)CCC(=O)[N-]OCC1CCC1 ZINC000856352017 588870234 /nfs/dbraw/zinc/87/02/34/588870234.db2.gz UMNXBQJYCWCVAT-JTQLQIEISA-N -1 3 213.321 2.661 20 0 BFADHM CC(C)(CC(=O)[N-]OCC1CCC1)C1CC1 ZINC000856351750 588870301 /nfs/dbraw/zinc/87/03/01/588870301.db2.gz MPJNFPNVTXBQJU-UHFFFAOYSA-N -1 3 225.332 2.661 20 0 BFADHM Cc1cc(C(=O)[N-]c2ncsc2C2CC2)on1 ZINC000893279379 583083465 /nfs/dbraw/zinc/08/34/65/583083465.db2.gz DWQYNTXVPDLZOO-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1cc(C)cc(CC(=O)[N-]OCC2CCC2)c1 ZINC000856341814 588868226 /nfs/dbraw/zinc/86/82/26/588868226.db2.gz IDQNBWISZYXAHI-UHFFFAOYSA-N -1 3 247.338 2.694 20 0 BFADHM O=C([N-]OCC1CCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000856344045 588868401 /nfs/dbraw/zinc/86/84/01/588868401.db2.gz HYVAWSNPWVUXAV-KGLIPLIRSA-N -1 3 245.322 2.638 20 0 BFADHM Cc1ccc(CC(=O)[N-]OCC2CCC2)cc1C ZINC000856343478 588868511 /nfs/dbraw/zinc/86/85/11/588868511.db2.gz LOUXSAMSIBQLBH-UHFFFAOYSA-N -1 3 247.338 2.694 20 0 BFADHM O=C([N-]OCC1CCC1)C1(C2CCC2)CCC1 ZINC000856345384 588868592 /nfs/dbraw/zinc/86/85/92/588868592.db2.gz XPPBACDOYXLUJZ-UHFFFAOYSA-N -1 3 237.343 2.805 20 0 BFADHM CCCCCCC(=O)[N-]OCC1CCC1 ZINC000856344910 588868726 /nfs/dbraw/zinc/86/87/26/588868726.db2.gz AWAGDMBDZGVLRS-UHFFFAOYSA-N -1 3 213.321 2.805 20 0 BFADHM CCC(C)(C)CC(=O)[N-]OCC1CCC1 ZINC000856348194 588869368 /nfs/dbraw/zinc/86/93/68/588869368.db2.gz UDYNXIGRNVFROH-UHFFFAOYSA-N -1 3 213.321 2.661 20 0 BFADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCC1CCC1 ZINC000856349792 588869473 /nfs/dbraw/zinc/86/94/73/588869473.db2.gz KBPJGEHMKYXKGG-JQWIXIFHSA-N -1 3 225.332 2.661 20 0 BFADHM CCc1ccccc1CC(=O)[N-]OCC1CCC1 ZINC000856350881 588869951 /nfs/dbraw/zinc/86/99/51/588869951.db2.gz UURLIFKCVJSWAO-UHFFFAOYSA-N -1 3 247.338 2.639 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC[C@@H]1C1CCCC1 ZINC000889392411 583170222 /nfs/dbraw/zinc/17/02/22/583170222.db2.gz 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DOLFJRDKNJVBOO-UHFFFAOYSA-N -1 3 237.290 2.906 20 0 BFADHM O=C([O-])c1coc(CNCC2(CC3CC3)CC2)c1 ZINC000902444566 584599119 /nfs/dbraw/zinc/59/91/19/584599119.db2.gz PLUSTKJUDSLTEH-UHFFFAOYSA-N -1 3 249.310 2.648 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1C[C@H]1C1CCC1 ZINC000902465575 584613980 /nfs/dbraw/zinc/61/39/80/584613980.db2.gz FJYASCSLCSNPPD-NWDGAFQWSA-N -1 3 249.310 2.564 20 0 BFADHM C[C@@H]1CCCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902507346 584622022 /nfs/dbraw/zinc/62/20/22/584622022.db2.gz KPLQMLGDTLHKNZ-WSKFYRRCSA-N -1 3 249.310 2.752 20 0 BFADHM CCc1oc(CN(CC)C(C)C)cc1C(=O)[O-] ZINC000902523280 584632130 /nfs/dbraw/zinc/63/21/30/584632130.db2.gz HWZZLYDOIVOFOT-UHFFFAOYSA-N -1 3 239.315 2.771 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CCC[C@@H](F)C2)c1 ZINC000902992069 584710020 /nfs/dbraw/zinc/71/00/20/584710020.db2.gz GLWWMEIXMUUGCH-SNVBAGLBSA-N -1 3 243.709 2.980 20 0 BFADHM C[C@H](NC/C=C\Cl)c1cccc([O-])c1F ZINC000903445758 584770295 /nfs/dbraw/zinc/77/02/95/584770295.db2.gz VLEXQHUHLPMSPO-LBLVLHIFSA-N -1 3 229.682 2.934 20 0 BFADHM Cc1cc([C@@H](C)N(C)CCCF)oc1C(=O)[O-] ZINC000903625160 584787600 /nfs/dbraw/zinc/78/76/00/584787600.db2.gz HFIUWSJAPYOERN-SECBINFHSA-N -1 3 243.278 2.639 20 0 BFADHM [O-]c1cccc2ccc(/C=C/c3ncc[nH]3)nc12 ZINC000731156781 584922716 /nfs/dbraw/zinc/92/27/16/584922716.db2.gz LTEYGFJQLOQABO-VOTSOKGWSA-N -1 3 237.262 2.834 20 0 BFADHM CCCCCCOC(=O)c1cncc([O-])c1 ZINC000732394242 584936801 /nfs/dbraw/zinc/93/68/01/584936801.db2.gz JCLWQPZNSUPGQO-UHFFFAOYSA-N -1 3 223.272 2.524 20 0 BFADHM O=C(OCC1CC(F)(F)C1)c1ccc([O-])cc1 ZINC000837336677 584937999 /nfs/dbraw/zinc/93/79/99/584937999.db2.gz FFVORIULUXTHRR-UHFFFAOYSA-N -1 3 242.221 2.594 20 0 BFADHM CCCC1(C(=O)[N-]OC[C@@H](C)CC)CC1 ZINC000816977056 584982327 /nfs/dbraw/zinc/98/23/27/584982327.db2.gz PMOFEDILDMIEED-JTQLQIEISA-N -1 3 213.321 2.661 20 0 BFADHM C/C=C/CSCc1cccc(-c2nnn[n-]2)c1 ZINC000736301786 584996849 /nfs/dbraw/zinc/99/68/49/584996849.db2.gz BFONBURCYZGFEK-NSCUHMNNSA-N -1 3 246.339 2.676 20 0 BFADHM C/C=C/CSCc1cccc(-c2nn[n-]n2)c1 ZINC000736301786 584996850 /nfs/dbraw/zinc/99/68/50/584996850.db2.gz BFONBURCYZGFEK-NSCUHMNNSA-N -1 3 246.339 2.676 20 0 BFADHM CCC(CC)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000736345181 584998391 /nfs/dbraw/zinc/99/83/91/584998391.db2.gz FUWPLHBNMCPMPW-UHFFFAOYSA-N -1 3 249.293 2.606 20 0 BFADHM CCC(CC)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000736345181 584998392 /nfs/dbraw/zinc/99/83/92/584998392.db2.gz FUWPLHBNMCPMPW-UHFFFAOYSA-N -1 3 249.293 2.606 20 0 BFADHM Cc1cccc2c1CCN(CCCCC(=O)[O-])C2 ZINC000738319066 585042597 /nfs/dbraw/zinc/04/25/97/585042597.db2.gz DZMXMBICOHOBGL-UHFFFAOYSA-N -1 3 247.338 2.608 20 0 BFADHM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000867007429 585098954 /nfs/dbraw/zinc/09/89/54/585098954.db2.gz ZITWWRUSKSDUCW-PXIYARARSA-N -1 3 249.285 2.762 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000742221481 585123225 /nfs/dbraw/zinc/12/32/25/585123225.db2.gz KYRXJPHRBYKRFO-WAYWQWQTSA-N -1 3 226.279 2.969 20 0 BFADHM CCOc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000742221072 585123466 /nfs/dbraw/zinc/12/34/66/585123466.db2.gz XMGBLPSQYZPSDG-SREVYHEPSA-N -1 3 242.278 2.751 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000742221480 585123549 /nfs/dbraw/zinc/12/35/49/585123549.db2.gz KYRXJPHRBYKRFO-AATRIKPKSA-N -1 3 226.279 2.969 20 0 BFADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)s1 ZINC000742219594 585123551 /nfs/dbraw/zinc/12/35/51/585123551.db2.gz CAFHTRJEBCRABF-SNAWJCMRSA-N -1 3 218.281 2.723 20 0 BFADHM Cc1noc(C)c1NC(=O)c1cc2occc2[n-]1 ZINC000750857126 585220676 /nfs/dbraw/zinc/22/06/76/585220676.db2.gz RWNWWVZANSMYFJ-UHFFFAOYSA-N -1 3 245.238 2.618 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2cccnc2Cl)n1 ZINC000752888529 585251223 /nfs/dbraw/zinc/25/12/23/585251223.db2.gz ZQMHDXJSQUJRCS-SNAWJCMRSA-N -1 3 247.685 2.709 20 0 BFADHM CC(C)CO[N-]C(=O)Cc1cccc(C2CC2)c1 ZINC000839707972 585337761 /nfs/dbraw/zinc/33/77/61/585337761.db2.gz BZLNOCLXMKFVDE-UHFFFAOYSA-N -1 3 247.338 2.810 20 0 BFADHM O=C(Cc1cccc(C2CC2)c1)[N-]OCC1CC1 ZINC000839779749 585341704 /nfs/dbraw/zinc/34/17/04/585341704.db2.gz SBDVXJUTWULGIP-UHFFFAOYSA-N -1 3 245.322 2.564 20 0 BFADHM CC1(CC(=O)[N-]OCc2ccc(F)cc2)CC1 ZINC000758036193 585348536 /nfs/dbraw/zinc/34/85/36/585348536.db2.gz WTRJNUBTABOGKU-UHFFFAOYSA-N -1 3 237.274 2.564 20 0 BFADHM CC[C@@H](C)OC(=O)c1ccc([O-])cc1C ZINC000758535907 585356946 /nfs/dbraw/zinc/35/69/46/585356946.db2.gz KSGYKWDIRHKXGF-SECBINFHSA-N -1 3 208.257 2.656 20 0 BFADHM CC(C)(C(=O)[N-]OCC(F)F)C1CCCC1 ZINC000759331053 585368137 /nfs/dbraw/zinc/36/81/37/585368137.db2.gz MOROLAKJDWZSJP-UHFFFAOYSA-N -1 3 235.274 2.516 20 0 BFADHM CCCCC[C@H](C)CC(=O)[N-]OCC(F)F ZINC000759331942 585368309 /nfs/dbraw/zinc/36/83/09/585368309.db2.gz WDHQQXLBKGESBY-VIFPVBQESA-N -1 3 237.290 2.906 20 0 BFADHM Cc1ccc(NC([O-])=NOCC(F)F)c(C)c1 ZINC000759929620 585382757 /nfs/dbraw/zinc/38/27/57/585382757.db2.gz YEWZKQHIAOBZDT-UHFFFAOYSA-N -1 3 244.241 2.622 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC(F)F)c(C)c1 ZINC000759929620 585382758 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/nfs/dbraw/zinc/20/88/21/591208821.db2.gz CMKKLUMNBFVHQY-QWRGUYRKSA-N -1 3 249.285 2.672 20 0 BFADHM Cc1ccc([O-])c(CNc2cnc(C)c(C)c2)n1 ZINC000883342349 591622097 /nfs/dbraw/zinc/62/20/97/591622097.db2.gz TZIIXFRMOURCJX-UHFFFAOYSA-N -1 3 243.310 2.720 20 0 BFADHM CCCCCCC(=O)[N-]OCC(C)C ZINC000134145964 591893590 /nfs/dbraw/zinc/89/35/90/591893590.db2.gz RPSVGYAVEUYAPS-UHFFFAOYSA-N -1 3 201.310 2.661 20 0 BFADHM CC(C)CCCCNCc1ccc(C(=O)[O-])o1 ZINC000134285437 591912031 /nfs/dbraw/zinc/91/20/31/591912031.db2.gz ATWQPCIONMEJCZ-UHFFFAOYSA-N -1 3 239.315 2.894 20 0 BFADHM Cc1cccc(CCC(=O)[N-]OCC(C)C)c1 ZINC000135326524 592007389 /nfs/dbraw/zinc/00/73/89/592007389.db2.gz JNCDQDSHIUSLJD-UHFFFAOYSA-N -1 3 235.327 2.631 20 0 BFADHM CCc1cccc(NC(=O)C(=O)C(C)(C)C)c1[O-] ZINC000885640955 592089131 /nfs/dbraw/zinc/08/91/31/592089131.db2.gz MLGZITVPTFJGNB-UHFFFAOYSA-N -1 3 249.310 2.508 20 0 BFADHM CCC(F)(F)C[S@](=O)c1cccc([O-])c1 ZINC000887367740 592493314 /nfs/dbraw/zinc/49/33/14/592493314.db2.gz 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BFADHM O=C(/C=C/c1cccs1)Nc1ncccc1[O-] ZINC000192734193 644179070 /nfs/dbraw/zinc/17/90/70/644179070.db2.gz XBKUWWPSYXLVBM-AATRIKPKSA-N -1 3 246.291 2.501 20 0 BFADHM CC1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000084099800 644417994 /nfs/dbraw/zinc/41/79/94/644417994.db2.gz DESSNNAPIKPNOH-SNAWJCMRSA-N -1 3 249.310 2.609 20 0 BFADHM O=C(CCC1CCCCC1)[N-]OC1CCC1 ZINC000812787638 644933208 /nfs/dbraw/zinc/93/32/08/644933208.db2.gz BIUBOASDZVZIRN-UHFFFAOYSA-N -1 3 225.332 2.947 20 0 BFADHM CC[C@H](CC(=O)[N-]OCCC1CC1)C(C)C ZINC000817442163 644981609 /nfs/dbraw/zinc/98/16/09/644981609.db2.gz WGLXYAQEMOOOKC-GFCCVEGCSA-N -1 3 227.348 2.907 20 0 BFADHM CC(C)O[N-]C(=O)Cc1cccc(C(C)C)c1 ZINC000837681856 645203037 /nfs/dbraw/zinc/20/30/37/645203037.db2.gz ZDZAMFGHPHRZGM-UHFFFAOYSA-N -1 3 235.327 2.809 20 0 BFADHM CCn1cc(N[C@@H](C)c2cc([O-])cc(F)c2)cn1 ZINC000925943999 646546910 /nfs/dbraw/zinc/54/69/10/646546910.db2.gz WLCSQHXAVMJFNA-VIFPVBQESA-N -1 3 249.289 2.921 20 0 BFADHM 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O=C([O-])c1ccc(CNCC2=CCCCC2)o1 ZINC000379579615 712389314 /nfs/dbraw/zinc/38/93/14/712389314.db2.gz FJYFHGMIMIXRKQ-UHFFFAOYSA-N -1 3 235.283 2.568 20 0 BFADHM CC[C@H](C)[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1 ZINC000037102007 712538967 /nfs/dbraw/zinc/53/89/67/712538967.db2.gz UDSNIDHUTUDANS-VHSXEESVSA-N -1 3 245.330 2.713 20 0 BFADHM CC[C@H](C)[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1 ZINC000037102007 712538969 /nfs/dbraw/zinc/53/89/69/712538969.db2.gz UDSNIDHUTUDANS-VHSXEESVSA-N -1 3 245.330 2.713 20 0 BFADHM CN(CCCF)Cc1cccc([O-])c1Cl ZINC000716628163 712568016 /nfs/dbraw/zinc/56/80/16/712568016.db2.gz MDWXFEXCKJKUNY-UHFFFAOYSA-N -1 3 231.698 2.837 20 0 BFADHM [O-]c1cc(Cl)cnc1Nc1nccs1 ZINC001210989628 957972081 /nfs/dbraw/zinc/97/20/81/957972081.db2.gz LLGVXTIRQNQEJV-UHFFFAOYSA-N -1 3 227.676 2.641 20 0 BFADHM CN(CCC1CC1)Cc1ccc([O-])c(F)c1F ZINC001140893629 960675903 /nfs/dbraw/zinc/67/59/03/960675903.db2.gz WLOFUUIKYXUSDO-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM 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2.910 20 0 BFADHM Cc1cc(-c2c([O-])cccc2F)ccc1C(N)=O ZINC001245656017 987037066 /nfs/dbraw/zinc/03/70/66/987037066.db2.gz OIRRCWIYNDQWSB-UHFFFAOYSA-N -1 3 245.253 2.606 20 0 BFADHM COc1cc(-c2c([O-])cccc2F)cc(C)n1 ZINC001245655956 987037158 /nfs/dbraw/zinc/03/71/58/987037158.db2.gz RGLSBRHRMPKAGC-UHFFFAOYSA-N -1 3 233.242 2.910 20 0 BFADHM Cc1nc2c(cncc2-c2c([O-])cccc2F)[nH]1 ZINC001245657157 987046396 /nfs/dbraw/zinc/04/63/96/987046396.db2.gz UXXULUXFVIHYMQ-UHFFFAOYSA-N -1 3 243.241 2.778 20 0 BFADHM O=C([N-]c1cnoc1)c1cc(Cl)cs1 ZINC000758213859 987177707 /nfs/dbraw/zinc/17/77/07/987177707.db2.gz LJAJMNTVHKDVGQ-UHFFFAOYSA-N -1 3 228.660 2.642 20 0 BFADHM CC(C)(C)O[N-]C(=O)C[C@@H]1C=CCCC1 ZINC001324244386 988760218 /nfs/dbraw/zinc/76/02/18/988760218.db2.gz JGZFUHXPKNYWLI-SNVBAGLBSA-N -1 3 211.305 2.579 20 0 BFADHM CCc1[n-]n(CCC(C)C)c(=O)c1C(C)C ZINC001119065933 988826029 /nfs/dbraw/zinc/82/60/29/988826029.db2.gz PWTJKPWTZIZAKQ-GFCCVEGCSA-N -1 3 224.348 2.913 20 0 BFADHM 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ZINC001557055111 990871880 /nfs/dbraw/zinc/87/18/80/990871880.db2.gz FCYXJPAOKPOZTN-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM CC(C)[C@@H]1CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001591094073 991668571 /nfs/dbraw/zinc/66/85/71/991668571.db2.gz GTZCZAHYMYBQCG-GFUIURDCSA-N -1 3 249.310 2.608 20 0 BFADHM [O-]c1ccc(F)c(CNC/C=C\Cl)c1F ZINC001561037317 991697532 /nfs/dbraw/zinc/69/75/32/991697532.db2.gz DCLAQIXRYYGTLL-RJRFIUFISA-N -1 3 233.645 2.513 20 0 BFADHM C[C@@H]1[C@@H](C(=O)[N-]OC(C)(C)C)[C@@H]1c1ccccc1 ZINC001321298104 992512294 /nfs/dbraw/zinc/51/22/94/992512294.db2.gz BJRZNNWJPZQJOZ-WCFLWFBJSA-N -1 3 247.338 2.882 20 0 BFADHM S=c1ccc(-c2ccnc3ccccc32)n[n-]1 ZINC000384397334 993583652 /nfs/dbraw/zinc/58/36/52/993583652.db2.gz OOIVMWBFEDUUFO-UHFFFAOYSA-N -1 3 239.303 2.981 20 0 BFADHM C[C@@H](NCC(C)(C)F)c1cc(C(=O)[O-])cs1 ZINC001593239069 994420064 /nfs/dbraw/zinc/42/00/64/994420064.db2.gz ASARBEDYJAJYII-SSDOTTSWSA-N -1 3 245.319 2.845 20 0 BFADHM CCn1cccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001295978571 994793661 /nfs/dbraw/zinc/79/36/61/994793661.db2.gz IOAAZUANIWLDQM-UHFFFAOYSA-N -1 3 248.257 2.605 20 0 BFADHM C/C=C\C(=O)Nc1c([O-])cccc1Cl ZINC001298550369 994933104 /nfs/dbraw/zinc/93/31/04/994933104.db2.gz IUIYOGLVYZFBDQ-RQOWECAXSA-N -1 3 211.648 2.560 20 0 BFADHM C[C@@H]1C[C@H](C)N1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001594233715 998891341 /nfs/dbraw/zinc/89/13/41/998891341.db2.gz ZKRGDZXOHQMAKL-DTORHVGOSA-N -1 3 248.326 2.573 20 0 BFADHM Cc1ccoc1C(=O)Nc1cccc([O-])c1F ZINC000129259820 398193497 /nfs/dbraw/zinc/19/34/97/398193497.db2.gz RFSIPHAWFRGENK-UHFFFAOYSA-N -1 3 235.214 2.685 20 0 BFADHM Cc1cc(NC(=O)[N-]OCC2CC2)ccc1F ZINC000292911235 178141181 /nfs/dbraw/zinc/14/11/81/178141181.db2.gz KWKQPQHFKDPRLH-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cc([N-]C(=O)c2cc(C3CC3)no2)sn1 ZINC000281872180 178149750 /nfs/dbraw/zinc/14/97/50/178149750.db2.gz HHEMQROEEYDEPR-UHFFFAOYSA-N -1 3 249.295 2.569 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCCC[C@H](C)C2)n1 ZINC000192790899 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/nfs/dbraw/zinc/26/22/99/136262299.db2.gz HNQPUECKUQHEDI-GFCCVEGCSA-N -1 3 239.274 2.671 20 0 BFADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ncccc1[O-] ZINC000187737370 259345627 /nfs/dbraw/zinc/34/56/27/259345627.db2.gz FANVQHPVIBZFDW-ZJUUUORDSA-N -1 3 234.299 2.552 20 0 BFADHM O=c1[n-]c(-c2cccs2)nc2cccc(F)c12 ZINC000142006192 343103080 /nfs/dbraw/zinc/10/30/80/343103080.db2.gz YNNYGTYPAVFDKW-UHFFFAOYSA-N -1 3 246.266 2.791 20 0 BFADHM Cc1cc(OC[C@H]2C[C@@H]2C)cc2occ([O-])c21 ZINC000634560328 362048753 /nfs/dbraw/zinc/04/87/53/362048753.db2.gz DWUXKEBLVOTSDJ-WCBMZHEXSA-N -1 3 232.279 2.605 20 0 BFADHM Cc1c2occ([O-])c2ccc1OCCCCF ZINC000634560402 362049232 /nfs/dbraw/zinc/04/92/32/362049232.db2.gz HJROCCLVDYIYGJ-UHFFFAOYSA-N -1 3 238.258 2.699 20 0 BFADHM Cc1cc(OC[C@@H]2C[C@@H]2C)cc2occ([O-])c21 ZINC000634560329 362049382 /nfs/dbraw/zinc/04/93/82/362049382.db2.gz DWUXKEBLVOTSDJ-WPRPVWTQSA-N -1 3 232.279 2.605 20 0 BFADHM CCc1ccc([O-])c(C(=O)NC2(C(C)C)CC2)c1 ZINC000508537174 529691602 /nfs/dbraw/zinc/69/16/02/529691602.db2.gz GOFJHHIOOKDTAJ-UHFFFAOYSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@@H]1CCCN(Cc2ccoc2C(=O)[O-])[C@@H]1C ZINC000050565481 343163413 /nfs/dbraw/zinc/16/34/13/343163413.db2.gz YKBYOKDGEKMKDI-NXEZZACHSA-N -1 3 237.299 2.598 20 0 BFADHM CCCCCN1CCc2c(cccc2C(=O)[O-])C1 ZINC000128578460 343174838 /nfs/dbraw/zinc/17/48/38/343174838.db2.gz QYKUDWGINIZJFR-UHFFFAOYSA-N -1 3 247.338 2.933 20 0 BFADHM CCC(C)(C)C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000576931511 365724227 /nfs/dbraw/zinc/72/42/27/365724227.db2.gz LDCHQTZMQAGWIE-UHFFFAOYSA-N -1 3 249.310 2.970 20 0 BFADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC000088302081 259353601 /nfs/dbraw/zinc/35/36/01/259353601.db2.gz HYVMUJYZWXIDMK-QWRGUYRKSA-N -1 3 235.327 2.947 20 0 BFADHM Cc1cc(CN2C[C@@H]3CCC[C@H]3C2)oc1C(=O)[O-] ZINC000159988289 343203158 /nfs/dbraw/zinc/20/31/58/343203158.db2.gz GAIYIXVOSAKNCK-QWRGUYRKSA-N -1 3 249.310 2.518 20 0 BFADHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000051330418 343256330 /nfs/dbraw/zinc/25/63/30/343256330.db2.gz XXWDDECFOMBVOP-SNVBAGLBSA-N -1 3 237.299 2.600 20 0 BFADHM CCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])co1 ZINC000051330411 343256339 /nfs/dbraw/zinc/25/63/39/343256339.db2.gz HPTVOYAPHGJOAJ-SECBINFHSA-N -1 3 225.288 2.598 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)C[C@H]2C)c1[O-] ZINC000134989794 343352308 /nfs/dbraw/zinc/35/23/08/343352308.db2.gz XVDBILXXJMNWIW-GXSJLCMTSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000335673456 136317436 /nfs/dbraw/zinc/31/74/36/136317436.db2.gz IKWVSECLESTISU-UWVGGRQHSA-N -1 3 219.284 2.685 20 0 BFADHM O=C(Nc1ncccc1[O-])c1ccoc1C1CC1 ZINC000335735857 136350039 /nfs/dbraw/zinc/35/00/39/136350039.db2.gz BJKSJICRZDUKIC-UHFFFAOYSA-N -1 3 244.250 2.510 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(CC(C)C)C2CC2)c1 ZINC000047846330 343567108 /nfs/dbraw/zinc/56/71/08/343567108.db2.gz VPDVLWLVGRXVMM-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM CC1(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000379840808 343638762 /nfs/dbraw/zinc/63/87/62/343638762.db2.gz GPRNFVFBOBJTBQ-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM [O-]c1ccc(Cl)c(CN2CC[C@@H](F)C2)c1 ZINC000625458028 343859978 /nfs/dbraw/zinc/85/99/78/343859978.db2.gz RVOKOKLFUAULSI-SECBINFHSA-N -1 3 229.682 2.589 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCCCC1CC1 ZINC000625720597 344055166 /nfs/dbraw/zinc/05/51/66/344055166.db2.gz HZWMUIJNFBYXFI-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2CC(C)(C)C2)c1 ZINC000395402212 344268038 /nfs/dbraw/zinc/26/80/38/344268038.db2.gz HFFGUVBCYURHKI-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H]1CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000626057761 344706209 /nfs/dbraw/zinc/70/62/09/344706209.db2.gz ASWJMUAKKBXTMP-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM Cc1ncoc1C(=O)[N-]c1cccc(F)c1F ZINC000081596139 345480661 /nfs/dbraw/zinc/48/06/61/345480661.db2.gz CICKXAPSTJSYHJ-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM O=C(Nc1ccc([O-])cc1Cl)C1CC=CC1 ZINC000082879776 345790230 /nfs/dbraw/zinc/79/02/30/345790230.db2.gz LLHYTFUHURMTLL-UHFFFAOYSA-N -1 3 237.686 2.950 20 0 BFADHM CC[C@H](C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000144734997 345924456 /nfs/dbraw/zinc/92/44/56/345924456.db2.gz ASACBUFMHGEFLL-SECBINFHSA-N -1 3 245.244 2.859 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H](C)[C@@H]2C)c1[O-] ZINC000177092316 179011512 /nfs/dbraw/zinc/01/15/12/179011512.db2.gz DEEVLWVGTMENLG-ONGXEEELSA-N -1 3 233.311 2.571 20 0 BFADHM Cc1cccc(C(=O)N2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000088707570 179012112 /nfs/dbraw/zinc/01/21/12/179012112.db2.gz ACTPDIAGMOHJFB-JQWIXIFHSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1[O-] ZINC000336147351 179012369 /nfs/dbraw/zinc/01/23/69/179012369.db2.gz ZIKZMFHWKFCEHA-YPMHNXCESA-N -1 3 245.322 2.715 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000382035291 347089985 /nfs/dbraw/zinc/08/99/85/347089985.db2.gz SHEBGSGLRNPFFY-UHFFFAOYSA-N -1 3 239.290 2.754 20 0 BFADHM Cc1cccc(CNCc2nc(C)ccc2[O-])c1 ZINC000103341443 179095929 /nfs/dbraw/zinc/09/59/29/179095929.db2.gz ZQIOBGKIIUGVPZ-UHFFFAOYSA-N -1 3 242.322 2.694 20 0 BFADHM O=C(NCC1=CCCCC1)c1ccccc1[O-] ZINC000380034592 365816494 /nfs/dbraw/zinc/81/64/94/365816494.db2.gz HKAKKYMXLMSTJI-UHFFFAOYSA-N -1 3 231.295 2.622 20 0 BFADHM Cc1cc(C(=O)N2CC(CC3CC3)C2)ccc1[O-] ZINC000623041624 347099557 /nfs/dbraw/zinc/09/95/57/347099557.db2.gz SLKYSBWRMJWLJJ-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cccc(NC([O-])=NOCC2CC2)c1F ZINC000296873419 179134527 /nfs/dbraw/zinc/13/45/27/179134527.db2.gz LIOPHYGNMOKYSH-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cccc(NC(=O)[N-]OCC2CC2)c1F ZINC000296873419 179134528 /nfs/dbraw/zinc/13/45/28/179134528.db2.gz LIOPHYGNMOKYSH-UHFFFAOYSA-N -1 3 238.262 2.597 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCS1 ZINC000272400025 179159704 /nfs/dbraw/zinc/15/97/04/179159704.db2.gz DRPIQRWXPJDPAV-JTQLQIEISA-N -1 3 237.324 2.535 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCCCO1 ZINC000183029867 179160519 /nfs/dbraw/zinc/16/05/19/179160519.db2.gz DZSKPOKFNDAPGI-NSHDSACASA-N -1 3 249.310 2.598 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC1(C)C ZINC000183050373 179160929 /nfs/dbraw/zinc/16/09/29/179160929.db2.gz XNUGSYWKBZRGHR-SECBINFHSA-N -1 3 219.284 2.685 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC3CCC2CC3)c1 ZINC000378391052 346792000 /nfs/dbraw/zinc/79/20/00/346792000.db2.gz QVGADCZJQQZWBM-UHFFFAOYSA-N -1 3 245.322 2.715 20 0 BFADHM CCCCCNC(=O)c1cc(C)ccc1[O-] ZINC000019837995 347294180 /nfs/dbraw/zinc/29/41/80/347294180.db2.gz ZMVRWEWJTBLFFK-UHFFFAOYSA-N -1 3 221.300 2.621 20 0 BFADHM Cc1ccc(F)c(CNCc2ncccc2[O-])c1 ZINC000355294418 187374869 /nfs/dbraw/zinc/37/48/69/187374869.db2.gz TXWGSLBAQBYEHS-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM O=C(CCCF)Nc1ccc([O-])cc1Cl ZINC000616943097 347511113 /nfs/dbraw/zinc/51/11/13/347511113.db2.gz OQPKHBAPWLFCCY-UHFFFAOYSA-N -1 3 231.654 2.734 20 0 BFADHM C[C@H](F)CCN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000577286935 365917788 /nfs/dbraw/zinc/91/77/88/365917788.db2.gz XIFHOERVVYGOBZ-JTQLQIEISA-N -1 3 239.290 2.565 20 0 BFADHM CCOC(=O)c1cc(-c2ccc(C)s2)[n-]n1 ZINC000603561486 349994877 /nfs/dbraw/zinc/99/48/77/349994877.db2.gz DNBOLZFFVDDHFP-UHFFFAOYSA-N -1 3 236.296 2.623 20 0 BFADHM CCOC(=O)c1cc(-c2ccc(C)s2)n[n-]1 ZINC000603561486 349994880 /nfs/dbraw/zinc/99/48/80/349994880.db2.gz DNBOLZFFVDDHFP-UHFFFAOYSA-N -1 3 236.296 2.623 20 0 BFADHM CCC[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000082879355 348918332 /nfs/dbraw/zinc/91/83/32/348918332.db2.gz BXTOFWOOWAJEII-MRVPVSSYSA-N -1 3 225.263 2.906 20 0 BFADHM O=C([N-]CC1CCCCCC1)C(F)(F)F ZINC000306883239 351287355 /nfs/dbraw/zinc/28/73/55/351287355.db2.gz ORLLSGLHDWHSHE-UHFFFAOYSA-N -1 3 223.238 2.635 20 0 BFADHM CCC[C@@H](C(=O)[O-])N(C)Cc1ccc(C)s1 ZINC000571648106 351382893 /nfs/dbraw/zinc/38/28/93/351382893.db2.gz BXRCSYHQRWITFO-NSHDSACASA-N -1 3 241.356 2.742 20 0 BFADHM CC1(C)CCC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291758943 352288075 /nfs/dbraw/zinc/28/80/75/352288075.db2.gz HQRPKSVBLVRMDH-ILFKPUCNSA-N -1 3 231.723 2.613 20 0 BFADHM C[C@@H](CC(F)F)C(=O)Nc1ccccc1[O-] ZINC000411198976 191169432 /nfs/dbraw/zinc/16/94/32/191169432.db2.gz JKUJWMXGADUORV-ZETCQYMHSA-N -1 3 229.226 2.622 20 0 BFADHM CC1(C)CC[C@@H]1NCc1c(F)ccc([O-])c1F ZINC000294073934 352368972 /nfs/dbraw/zinc/36/89/72/352368972.db2.gz YPZYXNFPABTYPB-NSHDSACASA-N -1 3 241.281 2.949 20 0 BFADHM Cc1ccc(/C=C/C(=O)[N-]OC2CCCC2)o1 ZINC000135146217 187811291 /nfs/dbraw/zinc/81/12/91/187811291.db2.gz BUPZCOKCUNLGAD-CMDGGOBGSA-N -1 3 235.283 2.592 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCCC23CCC3)c1 ZINC000334192082 352782760 /nfs/dbraw/zinc/78/27/60/352782760.db2.gz JAJJUFWZRFDQBS-UHFFFAOYSA-N -1 3 245.322 2.859 20 0 BFADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CC[C@H](C)C2)c1 ZINC000334248339 352840485 /nfs/dbraw/zinc/84/04/85/352840485.db2.gz XHRPRRHHYZEHPV-CMPLNLGQSA-N -1 3 247.338 2.961 20 0 BFADHM C[C@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000334293634 352930601 /nfs/dbraw/zinc/93/06/01/352930601.db2.gz QSTVRKRFVXUTAE-IUCAKERBSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@@H]1C[C@@H](C)N1C(=O)c1cc([O-])ccc1Cl ZINC000334355913 352995681 /nfs/dbraw/zinc/99/56/81/352995681.db2.gz LSWDZMUWKOCLJU-HTQZYQBOSA-N -1 3 239.702 2.669 20 0 BFADHM O=C(Nc1ncccc1[O-])C1CCC2(CC2)CC1 ZINC000613425556 363208639 /nfs/dbraw/zinc/20/86/39/363208639.db2.gz BEIOMKDHLKJQGE-UHFFFAOYSA-N -1 3 246.310 2.696 20 0 BFADHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000186012724 188170743 /nfs/dbraw/zinc/17/07/43/188170743.db2.gz QIADTJZEHDOHRS-UWVGGRQHSA-N -1 3 219.284 2.623 20 0 BFADHM CC(=O)[N-]OCCc1cccc(Cl)c1Cl ZINC000278721931 188203670 /nfs/dbraw/zinc/20/36/70/188203670.db2.gz SUZGGGMJSWTDMV-UHFFFAOYSA-N -1 3 248.109 2.604 20 0 BFADHM CC(C)([N-]C(=O)C(F)F)c1cccc(Cl)c1 ZINC000279051392 188204143 /nfs/dbraw/zinc/20/41/43/188204143.db2.gz PFSMXIOKCHBJCH-UHFFFAOYSA-N -1 3 247.672 2.956 20 0 BFADHM CC(C)=CCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000288424336 188209687 /nfs/dbraw/zinc/20/96/87/188209687.db2.gz CUZVENANTCZJCN-UHFFFAOYSA-N -1 3 233.311 2.552 20 0 BFADHM COc1ccc(NC(=O)c2ccc(C)o2)c([O-])c1 ZINC000135418761 538115195 /nfs/dbraw/zinc/11/51/95/538115195.db2.gz AVMNEXCNZRLUIH-UHFFFAOYSA-N -1 3 247.250 2.555 20 0 BFADHM CC[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000037915248 358480013 /nfs/dbraw/zinc/48/00/13/358480013.db2.gz XDUVJLGPHZQZMI-NSHDSACASA-N -1 3 233.311 2.715 20 0 BFADHM O=C(CC1CCC1)Nc1ccccc1[O-] ZINC000266513713 188551228 /nfs/dbraw/zinc/55/12/28/188551228.db2.gz BWSDPPYNLCOEKT-UHFFFAOYSA-N -1 3 205.257 2.521 20 0 BFADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)C1CCC1 ZINC000334573125 354102523 /nfs/dbraw/zinc/10/25/23/354102523.db2.gz JCSOVMKWPFOKQE-MRVPVSSYSA-N -1 3 237.274 2.906 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CC[C@@H]2CC)c1 ZINC000334590627 354220898 /nfs/dbraw/zinc/22/08/98/354220898.db2.gz KPJSFTRJSJTQFK-NSHDSACASA-N -1 3 233.311 2.579 20 0 BFADHM O=C(CCc1ccco1)Nc1cccc([O-])c1F ZINC000179154118 366212865 /nfs/dbraw/zinc/21/28/65/366212865.db2.gz MAECFLFNLCNTMQ-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)C1CCC1 ZINC000334750969 354476341 /nfs/dbraw/zinc/47/63/41/354476341.db2.gz LYKZQVQGILVFJT-QMMMGPOBSA-N -1 3 237.274 2.906 20 0 BFADHM O=C(NC12CCC(CC1)CC2)c1cccc([O-])c1 ZINC000334716932 354515668 /nfs/dbraw/zinc/51/56/68/354515668.db2.gz DTGHMSKXQUCHSJ-UHFFFAOYSA-N -1 3 245.322 2.845 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC(C3CCC3)C2)c1 ZINC000335085644 354619468 /nfs/dbraw/zinc/61/94/68/354619468.db2.gz SZKWIKBNNUXTOC-UHFFFAOYSA-N -1 3 245.322 2.573 20 0 BFADHM CC[C@@H](NCc1nc(C)ccc1[O-])C(F)(F)F ZINC000345432603 354667401 /nfs/dbraw/zinc/66/74/01/354667401.db2.gz KFNALMPJXYVKQW-SNVBAGLBSA-N -1 3 248.248 2.526 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H](C)C2)n1 ZINC000345990321 354833476 /nfs/dbraw/zinc/83/34/76/354833476.db2.gz PLUDJZZJGRIGRK-GXSJLCMTSA-N -1 3 248.326 2.860 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@H](C)C(C)(C)C)n1 ZINC000345936381 354812554 /nfs/dbraw/zinc/81/25/54/354812554.db2.gz VCAGACIGTKIFLR-SECBINFHSA-N -1 3 236.315 2.716 20 0 BFADHM Cc1ccoc1C(=O)Nc1ccc(C)cc1[O-] ZINC000040421468 358491651 /nfs/dbraw/zinc/49/16/51/358491651.db2.gz SJEDBPUQUZZDJC-UHFFFAOYSA-N -1 3 231.251 2.854 20 0 BFADHM CSCCN(C)Cc1cccc([O-])c1Cl ZINC000351624050 356033233 /nfs/dbraw/zinc/03/32/33/356033233.db2.gz LYFHGOJRBWEYLU-UHFFFAOYSA-N -1 3 245.775 2.840 20 0 BFADHM Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)ccc1[O-] ZINC000336157643 134106806 /nfs/dbraw/zinc/10/68/06/134106806.db2.gz UQRCTPYYJKXAAU-ZWNOBZJWSA-N -1 3 247.338 2.961 20 0 BFADHM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)cc1 ZINC000350566295 366297887 /nfs/dbraw/zinc/29/78/87/366297887.db2.gz NRSJANVSVTWOJP-NWDGAFQWSA-N -1 3 242.278 2.956 20 0 BFADHM CC(=O)c1[n-]c(=N[C@H]2CC[C@@H](C)C2)sc1C ZINC000450470027 202174645 /nfs/dbraw/zinc/17/46/45/202174645.db2.gz SKFJSQYVNJMAOZ-XCBNKYQSSA-N -1 3 238.356 2.677 20 0 BFADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000356733854 356803255 /nfs/dbraw/zinc/80/32/55/356803255.db2.gz UNHKVKPHFCTVBP-MNOVXSKESA-N -1 3 248.326 2.942 20 0 BFADHM CC(=O)c1[n-]c(=N[C@@H]2CCC2(C)C)sc1C ZINC000450534572 202190105 /nfs/dbraw/zinc/19/01/05/202190105.db2.gz GDEBDZFJKOETAQ-SECBINFHSA-N -1 3 238.356 2.677 20 0 BFADHM CC1(C)CC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000359571183 356890913 /nfs/dbraw/zinc/89/09/13/356890913.db2.gz MPDNBMAVXZZWOX-SECBINFHSA-N -1 3 234.299 2.552 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CCCC[C@@H](C)C1 ZINC000626502105 357134156 /nfs/dbraw/zinc/13/41/56/357134156.db2.gz ZDYACCXBQDFILY-LLVKDONJSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1oc(CN2[C@H](C)CC[C@H]2C)cc1C(=O)[O-] ZINC000583698733 357272493 /nfs/dbraw/zinc/27/24/93/357272493.db2.gz NACPHBUPLDHTRC-RKDXNWHRSA-N -1 3 237.299 2.659 20 0 BFADHM CCC[C@H](C(=O)[O-])N(C)Cc1ccccc1F ZINC000216588488 357329133 /nfs/dbraw/zinc/32/91/33/357329133.db2.gz HDVLLLIYQOGTGS-GFCCVEGCSA-N -1 3 239.290 2.511 20 0 BFADHM CCCCN(C)Cc1cc(C(=O)[O-])oc1C ZINC000011801089 357453902 /nfs/dbraw/zinc/45/39/02/357453902.db2.gz PXFAFHBQJAUWLB-UHFFFAOYSA-N -1 3 225.288 2.518 20 0 BFADHM Cc1ccc([O-])c(CN[C@@H](C)CC(F)(F)F)n1 ZINC000231751321 357625406 /nfs/dbraw/zinc/62/54/06/357625406.db2.gz GLCIUKOWWCPDOA-QMMMGPOBSA-N -1 3 248.248 2.526 20 0 BFADHM CCN(C(=O)c1cc([O-])ccc1Cl)C(C)C ZINC000233436154 357723893 /nfs/dbraw/zinc/72/38/93/357723893.db2.gz JOJXNNSMSGRGCS-UHFFFAOYSA-N -1 3 241.718 2.916 20 0 BFADHM CCC(C)(C)NC(=O)c1cc([O-])ccc1Cl ZINC000232854848 357685154 /nfs/dbraw/zinc/68/51/54/357685154.db2.gz IWGAAWPYRYEJGB-UHFFFAOYSA-N -1 3 241.718 2.964 20 0 BFADHM C[C@@H]1CC[C@H](c2noc(-c3ccccc3[O-])n2)O1 ZINC000398336283 357883671 /nfs/dbraw/zinc/88/36/71/357883671.db2.gz IFXVKEPUSWNAJO-LDYMZIIASA-N -1 3 246.266 2.682 20 0 BFADHM CCCN(CC)Cc1cc(C)c(C(=O)[O-])o1 ZINC000036812838 358052987 /nfs/dbraw/zinc/05/29/87/358052987.db2.gz ILBBJRRYHIXCBA-UHFFFAOYSA-N -1 3 225.288 2.518 20 0 BFADHM CCCN(C(=O)c1ccc(C)cc1[O-])C(C)C ZINC000037096472 358064990 /nfs/dbraw/zinc/06/49/90/358064990.db2.gz YMVLKHIOTDBPQK-UHFFFAOYSA-N -1 3 235.327 2.961 20 0 BFADHM CCC[C@@H](C)N(C)Cc1occc1C(=O)[O-] ZINC000037505117 358077759 /nfs/dbraw/zinc/07/77/59/358077759.db2.gz QNMFFDWDVCATRJ-SECBINFHSA-N -1 3 225.288 2.598 20 0 BFADHM CCN(CC)C(=O)c1cc(SC)ccc1[O-] ZINC000584646164 358331222 /nfs/dbraw/zinc/33/12/22/358331222.db2.gz PMWXOKVHCVLOON-UHFFFAOYSA-N -1 3 239.340 2.596 20 0 BFADHM C[C@H](CC(=O)[O-])N(C)Cc1ccccc1Cl ZINC000042437556 358348845 /nfs/dbraw/zinc/34/88/45/358348845.db2.gz VTZKRCRWPCSYQI-SECBINFHSA-N -1 3 241.718 2.635 20 0 BFADHM Cc1oc(CN2C[C@H](C)C[C@H]2C)cc1C(=O)[O-] ZINC000229313722 358401928 /nfs/dbraw/zinc/40/19/28/358401928.db2.gz OGEYXNZDRSNMFO-RKDXNWHRSA-N -1 3 237.299 2.517 20 0 BFADHM CC(C)c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000045894754 358419722 /nfs/dbraw/zinc/41/97/22/358419722.db2.gz APGGNDOSHVKLHQ-UHFFFAOYSA-N -1 3 244.254 2.843 20 0 BFADHM CC(C)c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000045894754 358419724 /nfs/dbraw/zinc/41/97/24/358419724.db2.gz APGGNDOSHVKLHQ-UHFFFAOYSA-N -1 3 244.254 2.843 20 0 BFADHM CN(CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC000045089482 358558179 /nfs/dbraw/zinc/55/81/79/358558179.db2.gz OXBUMQGZLNKZIC-UHFFFAOYSA-N -1 3 221.300 2.510 20 0 BFADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)C1CC1 ZINC000133863563 358770485 /nfs/dbraw/zinc/77/04/85/358770485.db2.gz MJNHPVPRXLZULH-ZETCQYMHSA-N -1 3 223.247 2.516 20 0 BFADHM Cc1cccc(N(C)C(=O)c2cccc([O-])c2)c1 ZINC000049990909 358707540 /nfs/dbraw/zinc/70/75/40/358707540.db2.gz CAXIRULDEHSXMS-UHFFFAOYSA-N -1 3 241.290 2.977 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2cnccc2C)c1 ZINC000071414409 359079411 /nfs/dbraw/zinc/07/94/11/359079411.db2.gz ZVFJZCSMXRWUHJ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H]1CC[C@@H](NC(=O)c2cccc([O-])c2)C[C@H]1C ZINC000247045887 359190287 /nfs/dbraw/zinc/19/02/87/359190287.db2.gz WMOQVVBCSIROBR-NQBHXWOUSA-N -1 3 247.338 2.947 20 0 BFADHM [O-]c1cccnc1CNc1ncc(Cl)s1 ZINC000308950344 491140915 /nfs/dbraw/zinc/14/09/15/491140915.db2.gz UVGKKBPOORGKEC-UHFFFAOYSA-N -1 3 241.703 2.509 20 0 BFADHM Cc1cccc([O-])c1C(=O)N1CC(C)=C[C@H](C)C1 ZINC000626816839 359732182 /nfs/dbraw/zinc/73/21/82/359732182.db2.gz RNMZIUBTHISHNS-JTQLQIEISA-N -1 3 245.322 2.739 20 0 BFADHM Cc1ccc([O-])c(-c2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000088055526 359934186 /nfs/dbraw/zinc/93/41/86/359934186.db2.gz QEHDZXSKGMGNBS-RKDXNWHRSA-N -1 3 230.267 2.874 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2cccc(C)n2)c1 ZINC000019839164 359967594 /nfs/dbraw/zinc/96/75/94/359967594.db2.gz WLXMZBWXBIVNKC-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613111044 360364666 /nfs/dbraw/zinc/36/46/66/360364666.db2.gz XWJNHMBYSXLTKZ-BBBLOLIVSA-N -1 3 249.285 2.906 20 0 BFADHM O=C([O-])c1cccc(CN(C2CC2)C2CC2)c1 ZINC000629498472 361099199 /nfs/dbraw/zinc/09/91/99/361099199.db2.gz LWJGMZZCSGYDKZ-UHFFFAOYSA-N -1 3 231.295 2.512 20 0 BFADHM CCCC[C@H](CC)C(=O)Nc1ncccc1[O-] ZINC000180997479 366778955 /nfs/dbraw/zinc/77/89/55/366778955.db2.gz OIPSKEZYULRAHD-JTQLQIEISA-N -1 3 236.315 2.942 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2C=CCCC2)c([O-])c1C ZINC000436587651 201331373 /nfs/dbraw/zinc/33/13/73/201331373.db2.gz PWWLUZRUEKTZOL-GFCCVEGCSA-N -1 3 245.322 2.848 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC=CCC2)c([O-])c1C ZINC000436531819 201331469 /nfs/dbraw/zinc/33/14/69/201331469.db2.gz PTYHQPWRUWIPHD-GFCCVEGCSA-N -1 3 245.322 2.848 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@@H]2C)c([O-])c1C ZINC000436708374 201334350 /nfs/dbraw/zinc/33/43/50/201334350.db2.gz JODMQKKTVQYSFX-JOYOIKCWSA-N -1 3 233.311 2.537 20 0 BFADHM Cc1ccc(C(=O)NCC(C)(C)C)c([O-])c1C ZINC000436674073 201334764 /nfs/dbraw/zinc/33/47/64/201334764.db2.gz GUHHVIHHNCGDEZ-UHFFFAOYSA-N -1 3 235.327 2.785 20 0 BFADHM CCC(CC)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436754457 201335925 /nfs/dbraw/zinc/33/59/25/201335925.db2.gz HLISZUOTBWJCKN-UHFFFAOYSA-N -1 3 235.327 2.927 20 0 BFADHM CCc1ccc(C(=O)N(C)[C@H]2CC2(C)C)c([O-])c1 ZINC000436816345 201337574 /nfs/dbraw/zinc/33/75/74/201337574.db2.gz RRRCKHFRYBUXGX-ZDUSSCGKSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1ccc(C(=O)N[C@H]2C=CCCC2)c([O-])c1 ZINC000436831544 201338531 /nfs/dbraw/zinc/33/85/31/201338531.db2.gz QCRVBJXEWWMSLX-LBPRGKRZSA-N -1 3 245.322 2.793 20 0 BFADHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccccc1[O-] ZINC000436914590 201340418 /nfs/dbraw/zinc/34/04/18/201340418.db2.gz KECVWWVANDXNAG-YABSGUDNSA-N -1 3 247.338 2.947 20 0 BFADHM CC(C)(C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC000436896710 201340973 /nfs/dbraw/zinc/34/09/73/201340973.db2.gz ZPDSNSDYDGXVSU-UHFFFAOYSA-N -1 3 247.338 2.947 20 0 BFADHM O=C(NC1CCC1)c1ccc2c(c1[O-])CCCC2 ZINC000436959445 201342235 /nfs/dbraw/zinc/34/22/35/201342235.db2.gz HNMOYVUZMAWEMD-UHFFFAOYSA-N -1 3 245.322 2.553 20 0 BFADHM O=C(NC[C@@H]1CCCC12CC2)c1ccccc1[O-] ZINC000629837132 361733154 /nfs/dbraw/zinc/73/31/54/361733154.db2.gz UHYHFKFBZTWGKN-NSHDSACASA-N -1 3 245.322 2.702 20 0 BFADHM CC(C)[C@@H]1CCCN(c2ccncc2C(=O)[O-])C1 ZINC000573449172 364836637 /nfs/dbraw/zinc/83/66/37/364836637.db2.gz QDINETSCISUEMX-LLVKDONJSA-N -1 3 248.326 2.652 20 0 BFADHM Cc1cc([C@@H](C)N2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000573808197 364920968 /nfs/dbraw/zinc/92/09/68/364920968.db2.gz HZJRARRMCFHGRG-VHSXEESVSA-N -1 3 237.299 2.832 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)c([O-])c1C ZINC000444473987 193047800 /nfs/dbraw/zinc/04/78/00/193047800.db2.gz DIIXBCMBFYYIQJ-CABZTGNLSA-N -1 3 247.338 2.927 20 0 BFADHM O=C(CCc1ccco1)Nc1cc(F)ccc1[O-] ZINC000174903517 365519284 /nfs/dbraw/zinc/51/92/84/365519284.db2.gz ACCBNZIVCSFPQI-UHFFFAOYSA-N -1 3 249.241 2.696 20 0 BFADHM CCCC[C@H](C)c1nc(-c2cc(=O)[n-]cn2)no1 ZINC000579591334 366895263 /nfs/dbraw/zinc/89/52/63/366895263.db2.gz JUEXHSJTFIFUDY-QMMMGPOBSA-N -1 3 248.286 2.526 20 0 BFADHM O=[S@@](Cc1ccccc1)c1cccc([O-])c1 ZINC000184036460 367060118 /nfs/dbraw/zinc/06/01/18/367060118.db2.gz OKDNEBWLWFJYML-INIZCTEOSA-N -1 3 232.304 2.700 20 0 BFADHM CCCc1cc(C(=O)Nc2ccccc2[O-])no1 ZINC000622322395 370848700 /nfs/dbraw/zinc/84/87/00/370848700.db2.gz OCNWLZYVLAYXGJ-UHFFFAOYSA-N -1 3 246.266 2.585 20 0 BFADHM CC1=CCN([C@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000382535086 367534451 /nfs/dbraw/zinc/53/44/51/367534451.db2.gz MSUAXKDSUUFROQ-SNVBAGLBSA-N -1 3 235.283 2.691 20 0 BFADHM CCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000382558220 367539966 /nfs/dbraw/zinc/53/99/66/367539966.db2.gz JLPLYAYYWJJRGJ-UHFFFAOYSA-N -1 3 233.311 2.845 20 0 BFADHM Cc1oc(C(=O)[O-])cc1CN(C)C(C)(C)C ZINC000382295264 367505198 /nfs/dbraw/zinc/50/51/98/367505198.db2.gz QOOQDRHFLBUQFM-UHFFFAOYSA-N -1 3 225.288 2.517 20 0 BFADHM CCN(CCC1CC1)C(=O)c1cc(C)ccc1[O-] ZINC000385686457 367854253 /nfs/dbraw/zinc/85/42/53/367854253.db2.gz BUMDPYQGSOKEKJ-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCN(CCC1CC1)C(=O)c1ccc([O-])c(C)c1 ZINC000385848079 367869471 /nfs/dbraw/zinc/86/94/71/367869471.db2.gz DRMPYHZBVAZNDI-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCN(CCC1CC1)C(=O)c1cccc(C)c1[O-] ZINC000385876440 367873578 /nfs/dbraw/zinc/87/35/78/367873578.db2.gz OTFDSOOGZCLAIA-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)[N-]c2cc(F)ccc2F)on1 ZINC000036783896 368268065 /nfs/dbraw/zinc/26/80/65/368268065.db2.gz NLVRYPXSDRSZSK-UHFFFAOYSA-N -1 3 238.193 2.514 20 0 BFADHM CCc1ccc([O-])c(C(=O)NCC2(CC)CC2)c1 ZINC000622416512 370909507 /nfs/dbraw/zinc/90/95/07/370909507.db2.gz DNBPWWKSPJDFDP-UHFFFAOYSA-N -1 3 247.338 2.875 20 0 BFADHM CCCCOc1cc2occ([O-])c2c(C)c1 ZINC000642609957 368934305 /nfs/dbraw/zinc/93/43/05/368934305.db2.gz HUTKKCGMBGHZFF-UHFFFAOYSA-N -1 3 220.268 2.749 20 0 BFADHM Cc1cccc(C(=O)NCCC(C)(C)F)c1[O-] ZINC000618405065 369138293 /nfs/dbraw/zinc/13/82/93/369138293.db2.gz SMUOMKBFZYNQPQ-UHFFFAOYSA-N -1 3 239.290 2.569 20 0 BFADHM Cc1ccc(C(=O)NCCC(C)(C)F)c([O-])c1 ZINC000618409303 369139045 /nfs/dbraw/zinc/13/90/45/369139045.db2.gz HBZPOBAEQBLSRX-UHFFFAOYSA-N -1 3 239.290 2.569 20 0 BFADHM CCc1cc(C(=O)N[C@@H]2C[C@H]2C(C)C)ccc1[O-] ZINC000458102427 203131875 /nfs/dbraw/zinc/13/18/75/203131875.db2.gz JHOZNWWVKQAFCK-QWHCGFSZSA-N -1 3 247.338 2.729 20 0 BFADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000458289688 203155262 /nfs/dbraw/zinc/15/52/62/203155262.db2.gz WOOCVYQBBVQTKU-NTZNESFSSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000458261081 203150095 /nfs/dbraw/zinc/15/00/95/203150095.db2.gz QMCWVVZQNCWQCD-WXHSDQCUSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1ccc([O-])c(C(=O)NCC2CC(C)(C)C2)c1 ZINC000622542629 370989654 /nfs/dbraw/zinc/98/96/54/370989654.db2.gz JXZHDMVQAPLDKR-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([O-])c1 ZINC000620437561 369877673 /nfs/dbraw/zinc/87/76/73/369877673.db2.gz OSSJFZSACUSCQX-VGPLMAKISA-N -1 3 245.322 2.795 20 0 BFADHM Cc1ccc(C(=O)N(C)C[C@H]2CC2(C)C)c([O-])c1 ZINC000621049073 370082361 /nfs/dbraw/zinc/08/23/61/370082361.db2.gz DXJBIVVPPXGXLZ-LLVKDONJSA-N -1 3 247.338 2.819 20 0 BFADHM Cc1cccc([O-])c1C(=O)NCC1CCCC1 ZINC000623969617 371205379 /nfs/dbraw/zinc/20/53/79/371205379.db2.gz NGLRUZHLKMNQHQ-UHFFFAOYSA-N -1 3 233.311 2.621 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c([O-])c1 ZINC000162939556 371890838 /nfs/dbraw/zinc/89/08/38/371890838.db2.gz XJIUQIVRXWIGPC-GHMZBOCLSA-N -1 3 233.311 2.571 20 0 BFADHM O=C([N-]CC1=CCCCC1)C(F)(F)C(F)F ZINC000296062032 182134731 /nfs/dbraw/zinc/13/47/31/182134731.db2.gz NOLYVDATGIFNSR-UHFFFAOYSA-N -1 3 239.212 2.503 20 0 BFADHM O=C(NCc1ccc([O-])c(F)c1)C1=CCCCC1 ZINC000188554781 182252107 /nfs/dbraw/zinc/25/21/07/182252107.db2.gz NQTZCOCJVBKJFI-UHFFFAOYSA-N -1 3 249.285 2.648 20 0 BFADHM CCCCOc1ccc2c([O-])coc2c1C ZINC000634559900 374318544 /nfs/dbraw/zinc/31/85/44/374318544.db2.gz LBLXDXWUEJNOJF-UHFFFAOYSA-N -1 3 220.268 2.749 20 0 BFADHM [O-]C(=NOCC1CC1)Nc1ccsc1Cl ZINC000297972464 182282398 /nfs/dbraw/zinc/28/23/98/182282398.db2.gz YWEOYULZVFWCPD-UHFFFAOYSA-N -1 3 246.719 2.865 20 0 BFADHM O=C([N-]OCC1CC1)Nc1ccsc1Cl ZINC000297972464 182282400 /nfs/dbraw/zinc/28/24/00/182282400.db2.gz YWEOYULZVFWCPD-UHFFFAOYSA-N -1 3 246.719 2.865 20 0 BFADHM O=C([N-]OCc1ccccc1)C1[C@@H]2CCCC[C@H]12 ZINC000073415226 182282883 /nfs/dbraw/zinc/28/28/83/182282883.db2.gz WSIUWTFUFGBTJM-PBWFPOADSA-N -1 3 245.322 2.671 20 0 BFADHM CN(Cc1cc([O-])cc(F)c1)[C@H]1CC1(C)C ZINC000426558493 206053021 /nfs/dbraw/zinc/05/30/21/206053021.db2.gz HDSQBWMWGOYBSO-LBPRGKRZSA-N -1 3 223.291 2.762 20 0 BFADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCC1 ZINC000069692981 182348940 /nfs/dbraw/zinc/34/89/40/182348940.db2.gz NIWCPGTWIXNMGR-UHFFFAOYSA-N -1 3 225.675 2.784 20 0 BFADHM O=C(Nc1ccccc1[O-])c1sccc1F ZINC000336466347 182379977 /nfs/dbraw/zinc/37/99/77/182379977.db2.gz MRIZITIMUNSODE-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCCS1 ZINC000272995171 182380792 /nfs/dbraw/zinc/38/07/92/182380792.db2.gz XXFUSCRNIXYRNZ-NSHDSACASA-N -1 3 237.324 2.616 20 0 BFADHM [O-]c1ccc(-c2noc(-c3cscn3)n2)cc1 ZINC000062357784 183266292 /nfs/dbraw/zinc/26/62/92/183266292.db2.gz LNSNQMIPIWCRJS-UHFFFAOYSA-N -1 3 245.263 2.566 20 0 BFADHM CCCN(CCC)C(=O)c1cccc([O-])c1 ZINC000019837732 169145917 /nfs/dbraw/zinc/14/59/17/169145917.db2.gz BDJXOLDNRARUKS-UHFFFAOYSA-N -1 3 221.300 2.654 20 0 BFADHM [O-]c1cc(F)ccc1-c1ccc(O)cc1 ZINC000065339962 183263919 /nfs/dbraw/zinc/26/39/19/183263919.db2.gz ZYHOLJVCWPMXFE-UHFFFAOYSA-N -1 3 204.200 2.904 20 0 BFADHM [O-]c1cccc(CN[C@@H]2CCSC2)c1Cl ZINC000328502058 183290691 /nfs/dbraw/zinc/29/06/91/183290691.db2.gz XVGDTVGOBFDPOQ-SECBINFHSA-N -1 3 243.759 2.641 20 0 BFADHM [O-]c1cncc(-c2cccc(F)c2F)c1 ZINC000065339083 183305369 /nfs/dbraw/zinc/30/53/69/183305369.db2.gz WBWJKBKEACXREU-UHFFFAOYSA-N -1 3 207.179 2.732 20 0 BFADHM CCC[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000019838070 169369174 /nfs/dbraw/zinc/36/91/74/169369174.db2.gz LZYYYDVKKHOJGE-SNVBAGLBSA-N -1 3 221.300 2.619 20 0 BFADHM CC(C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000088845502 383922783 /nfs/dbraw/zinc/92/27/83/383922783.db2.gz IWXVSPDKEZTZJN-ZDUSSCGKSA-N -1 3 233.311 2.653 20 0 BFADHM Cc1ccc(NC(=O)CCC(F)(F)F)c([O-])c1 ZINC000088833878 383923390 /nfs/dbraw/zinc/92/33/90/383923390.db2.gz HHGIWECMKZWEEK-UHFFFAOYSA-N -1 3 247.216 2.982 20 0 BFADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000088302037 383891937 /nfs/dbraw/zinc/89/19/37/383891937.db2.gz JNTAWAJXFKUSTB-GHMZBOCLSA-N -1 3 235.327 2.947 20 0 BFADHM Cc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)ccc1[O-] ZINC000336505844 384030053 /nfs/dbraw/zinc/03/00/53/384030053.db2.gz ZCJJNBFCXAVMDI-QWRGUYRKSA-N -1 3 233.311 2.714 20 0 BFADHM O=[S@](Cc1ccccc1)c1ccc([O-])cc1 ZINC000108083824 384178795 /nfs/dbraw/zinc/17/87/95/384178795.db2.gz FLVKLLIEUPZMQS-INIZCTEOSA-N -1 3 232.304 2.700 20 0 BFADHM Cc1ccc(NC([O-])=NOCC(C)C)c(F)c1 ZINC000158235209 384212676 /nfs/dbraw/zinc/21/26/76/384212676.db2.gz BUJNLXPIOYCVRB-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM Cc1ccc(NC(=O)[N-]OCC(C)C)c(F)c1 ZINC000158235209 384212679 /nfs/dbraw/zinc/21/26/79/384212679.db2.gz BUJNLXPIOYCVRB-UHFFFAOYSA-N -1 3 240.278 2.843 20 0 BFADHM O=C(/C=C/c1cncc([O-])c1)Nc1ccsc1 ZINC000179505605 384298157 /nfs/dbraw/zinc/29/81/57/384298157.db2.gz RYMBXPNWEXOBBP-OWOJBTEDSA-N -1 3 246.291 2.501 20 0 BFADHM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(C)s1 ZINC000083406247 384298848 /nfs/dbraw/zinc/29/88/48/384298848.db2.gz MNZXMNMXEJAYIU-VIFPVBQESA-N -1 3 241.356 2.742 20 0 BFADHM Cc1cc([C@H](C)N2CCCCC2)oc1C(=O)[O-] ZINC000564576835 384353863 /nfs/dbraw/zinc/35/38/63/384353863.db2.gz MMYSXRBFVJXUOI-JTQLQIEISA-N -1 3 237.299 2.833 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000148890319 384475837 /nfs/dbraw/zinc/47/58/37/384475837.db2.gz VSHOIYSVBJGWGB-RYUDHWBXSA-N -1 3 245.322 2.573 20 0 BFADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc([O-])c1 ZINC000136204556 384484200 /nfs/dbraw/zinc/48/42/00/384484200.db2.gz BKTQHKDIBDHUBZ-PWSUYJOCSA-N -1 3 233.311 2.795 20 0 BFADHM O=C(CC1CCC1)[N-]OCc1ccc(F)cc1 ZINC000184257272 384586904 /nfs/dbraw/zinc/58/69/04/384586904.db2.gz FGLWPAGWMBHOQS-UHFFFAOYSA-N -1 3 237.274 2.564 20 0 BFADHM C/C(=C\C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000172416156 384587443 /nfs/dbraw/zinc/58/74/43/384587443.db2.gz HQFKYKWPOGTVHJ-RMKNXTFCSA-N -1 3 249.285 2.504 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@H](C3CC3)C2)c1 ZINC000335901875 384674445 /nfs/dbraw/zinc/67/44/45/384674445.db2.gz QITGWYRLMKYLAC-LBPRGKRZSA-N -1 3 245.322 2.573 20 0 BFADHM Cc1cc(NC(=O)c2cccc(C)c2[O-])sn1 ZINC000176425766 384639629 /nfs/dbraw/zinc/63/96/29/384639629.db2.gz GZCVPBVAGGGLOW-UHFFFAOYSA-N -1 3 248.307 2.718 20 0 BFADHM CCO[N-]C(=O)/C=C(/CC)c1ccc(OC)cc1 ZINC000125378519 384716380 /nfs/dbraw/zinc/71/63/80/384716380.db2.gz OMIZWTAEAVSBQQ-KHPPLWFESA-N -1 3 249.310 2.556 20 0 BFADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000185622233 384748813 /nfs/dbraw/zinc/74/88/13/384748813.db2.gz CUTHOKGDSOIQEY-NXEZZACHSA-N -1 3 237.274 2.762 20 0 BFADHM Cc1ccc([O-])c(C(=O)Nc2cncc(C)c2)c1 ZINC000176725755 384766522 /nfs/dbraw/zinc/76/65/22/384766522.db2.gz RCGPDBGMRBHCFX-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H](CC(=O)[O-])N(C)Cc1ccc(Cl)s1 ZINC000042489049 384807253 /nfs/dbraw/zinc/80/72/53/384807253.db2.gz SSVSXOXUXZJHKP-ZETCQYMHSA-N -1 3 247.747 2.697 20 0 BFADHM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000186012780 384809025 /nfs/dbraw/zinc/80/90/25/384809025.db2.gz QIADTJZEHDOHRS-NXEZZACHSA-N -1 3 219.284 2.623 20 0 BFADHM CO[C@@H](C)CN(C)Cc1cccc([O-])c1Cl ZINC000294078785 384863249 /nfs/dbraw/zinc/86/32/49/384863249.db2.gz YVQSRMWNYAGMBC-VIFPVBQESA-N -1 3 243.734 2.512 20 0 BFADHM C[C@H]1c2ccsc2CCN1CCCC(=O)[O-] ZINC000042771621 384863764 /nfs/dbraw/zinc/86/37/64/384863764.db2.gz NOYICYCESPFUMJ-VIFPVBQESA-N -1 3 239.340 2.532 20 0 BFADHM CCc1ccc(CNCc2ccc([O-])c(F)c2)o1 ZINC000150812100 385062354 /nfs/dbraw/zinc/06/23/54/385062354.db2.gz OEBMJAMQSBHZBP-UHFFFAOYSA-N -1 3 249.285 2.977 20 0 BFADHM CCO[N-]C(=O)/C(C)=C/c1cccc(Cl)c1 ZINC000128760074 385070446 /nfs/dbraw/zinc/07/04/46/385070446.db2.gz UIIJMTFNEDLLDN-VQHVLOKHSA-N -1 3 239.702 2.811 20 0 BFADHM C/C=C(\CC)C(=O)NCc1ccc([O-])c(F)c1 ZINC000190725194 385257675 /nfs/dbraw/zinc/25/76/75/385257675.db2.gz WQBMNSOZEFEANE-XCVCLJGOSA-N -1 3 237.274 2.504 20 0 BFADHM CC[C@H]1CCCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000177917749 385305584 /nfs/dbraw/zinc/30/55/84/385305584.db2.gz UROIQQBCPBPILB-RYUDHWBXSA-N -1 3 249.358 2.674 20 0 BFADHM CCC[C@@H](C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000643924864 385274586 /nfs/dbraw/zinc/27/45/86/385274586.db2.gz CHUWCHBDXVJWGC-SNVBAGLBSA-N -1 3 235.327 2.873 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1 ZINC000153773046 385279240 /nfs/dbraw/zinc/27/92/40/385279240.db2.gz WVQVRHAUUHXRBT-VXGBXAGGSA-N -1 3 247.338 2.819 20 0 BFADHM CC[C@H]1CCN(C(=O)c2cc(C)ccc2[O-])C1 ZINC000131816977 385362114 /nfs/dbraw/zinc/36/21/14/385362114.db2.gz ZYVSNZAQLSPATP-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM CC(C)C[C@@H]1CCN(C(=O)c2cccc([O-])c2)C1 ZINC000272724099 385383369 /nfs/dbraw/zinc/38/33/69/385383369.db2.gz IBYSXNJWLZKMRK-LBPRGKRZSA-N -1 3 247.338 2.900 20 0 BFADHM CCc1cc(C(=O)N[C@H](C)C2CCC2)ccc1[O-] ZINC000644045461 385396258 /nfs/dbraw/zinc/39/62/58/385396258.db2.gz VRBQDUZRXGQKGP-SNVBAGLBSA-N -1 3 247.338 2.873 20 0 BFADHM C[C@H]1CCC[C@@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000182203222 385434509 /nfs/dbraw/zinc/43/45/09/385434509.db2.gz QFGHEVBVFQBYPP-NWDGAFQWSA-N -1 3 247.338 2.948 20 0 BFADHM CCO[N-]C(=O)C[C@H](C)c1ccc(F)cc1F ZINC000179047278 385435998 /nfs/dbraw/zinc/43/59/98/385435998.db2.gz QEDIRPJUELAILD-QMMMGPOBSA-N -1 3 243.253 2.526 20 0 BFADHM CCC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000309394266 385561487 /nfs/dbraw/zinc/56/14/87/385561487.db2.gz GAGFNVWNWNANCX-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CCc1ccc(C[N-]c2nc(C3CC3)no2)o1 ZINC000181862858 385613977 /nfs/dbraw/zinc/61/39/77/385613977.db2.gz OTWIGIYTALWPEJ-UHFFFAOYSA-N -1 3 233.271 2.715 20 0 BFADHM CC(C)c1cc(C(=O)[N-]c2ccncc2F)no1 ZINC000181823477 385608773 /nfs/dbraw/zinc/60/87/73/385608773.db2.gz QJOIMNHHUWLVGB-UHFFFAOYSA-N -1 3 249.245 2.584 20 0 BFADHM CC(C)(C)CCO[N-]C(=O)/C=C/c1cccnc1 ZINC000493749609 385613183 /nfs/dbraw/zinc/61/31/83/385613183.db2.gz DRXYICHKFPUHIN-VOTSOKGWSA-N -1 3 248.326 2.579 20 0 BFADHM Cc1cnc([N-]c2ncnc3ccncc32)s1 ZINC000337389485 385639668 /nfs/dbraw/zinc/63/96/68/385639668.db2.gz KBQASZYWIHCGQD-UHFFFAOYSA-N -1 3 243.295 2.533 20 0 BFADHM CSCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000281929341 385717681 /nfs/dbraw/zinc/71/76/81/385717681.db2.gz DDGHFXSIHNUWNH-UHFFFAOYSA-N -1 3 239.340 2.720 20 0 BFADHM CC[C@H]1C[C@H](C(=O)Nc2ccccc2[O-])CCO1 ZINC000182935539 385722066 /nfs/dbraw/zinc/72/20/66/385722066.db2.gz AGUWJGDDYSCGOK-MNOVXSKESA-N -1 3 249.310 2.536 20 0 BFADHM CCCc1ccccc1NC(=O)[N-]OCC ZINC000183901502 385804669 /nfs/dbraw/zinc/80/46/69/385804669.db2.gz ZYKPPNQQBMFYGB-UHFFFAOYSA-N -1 3 222.288 2.712 20 0 BFADHM O=C(/C=C/c1ccsc1)[N-]OC1CCCC1 ZINC000271841110 385854473 /nfs/dbraw/zinc/85/44/73/385854473.db2.gz YJTIYGCHQXUDME-AATRIKPKSA-N -1 3 237.324 2.752 20 0 BFADHM CC[C@H]1CC[C@H](C(=O)Nc2c(C)cccc2[O-])O1 ZINC000272598821 385917390 /nfs/dbraw/zinc/91/73/90/385917390.db2.gz YGXYUDCVXJCSRD-CMPLNLGQSA-N -1 3 249.310 2.597 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000335015821 385972992 /nfs/dbraw/zinc/97/29/92/385972992.db2.gz CZDREMKPWWYAEQ-AMIZOPFISA-N -1 3 235.258 2.660 20 0 BFADHM C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CC1(F)F ZINC000335016662 385973546 /nfs/dbraw/zinc/97/35/46/385973546.db2.gz FOKWNVAGYKFSDX-JTQLQIEISA-N -1 3 245.200 2.515 20 0 BFADHM COC(=O)c1cnc(S[C@@H](C)CC(C)C)[n-]1 ZINC000295458114 386036409 /nfs/dbraw/zinc/03/64/09/386036409.db2.gz WXUMHWBQXOAAIY-QMMMGPOBSA-N -1 3 242.344 2.723 20 0 BFADHM CCN(CCC(=O)[O-])Cc1ccccc1Cl ZINC000038024826 386113241 /nfs/dbraw/zinc/11/32/41/386113241.db2.gz PZQFNLLFEXVWFH-UHFFFAOYSA-N -1 3 241.718 2.637 20 0 BFADHM CCC[C@H](OC)c1nc(-c2ccc([O-])cc2)no1 ZINC000295970804 386113808 /nfs/dbraw/zinc/11/38/08/386113808.db2.gz QGXGTPLXGYJXFI-NSHDSACASA-N -1 3 248.282 2.930 20 0 BFADHM CCc1ccc(C(=O)N2CCC23CCC3)c([O-])c1 ZINC000334450213 386090246 /nfs/dbraw/zinc/09/02/46/386090246.db2.gz RNANLMACNKZMLB-UHFFFAOYSA-N -1 3 245.322 2.723 20 0 BFADHM O=C(c1cccc([O-])c1)N1CC2(C1)CCCCC2 ZINC000274976447 386167791 /nfs/dbraw/zinc/16/77/91/386167791.db2.gz WQZTWMROHKDYQM-UHFFFAOYSA-N -1 3 245.322 2.799 20 0 BFADHM CC(C)c1ccc(C(=O)N[C@@H](C)CF)c([O-])c1 ZINC000288195405 386175953 /nfs/dbraw/zinc/17/59/53/386175953.db2.gz LWPJNOLXZCWJLR-VIFPVBQESA-N -1 3 239.290 2.603 20 0 BFADHM CC(=O)[N-]OCc1ccc(C2CCCC2)cc1 ZINC000288514385 386209192 /nfs/dbraw/zinc/20/91/92/386209192.db2.gz GLCXKFNBASAHPG-UHFFFAOYSA-N -1 3 233.311 2.912 20 0 BFADHM CC(F)(F)C(=O)[N-]Cc1cccc(Cl)c1 ZINC000288501031 386210532 /nfs/dbraw/zinc/21/05/32/386210532.db2.gz ICINNVADFJSBAV-UHFFFAOYSA-N -1 3 233.645 2.611 20 0 BFADHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1[O-] ZINC000424894980 386217216 /nfs/dbraw/zinc/21/72/16/386217216.db2.gz KDRVRUQOMXHKOZ-AAEUAGOBSA-N -1 3 245.322 2.558 20 0 BFADHM Cc1ccc(C(=O)NC[C@H]2CC23CC3)c([O-])c1C ZINC000416259541 386247746 /nfs/dbraw/zinc/24/77/46/386247746.db2.gz PWHHBTJYMDQGNI-LLVKDONJSA-N -1 3 245.322 2.539 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2F)n1 ZINC000339115076 386254828 /nfs/dbraw/zinc/25/48/28/386254828.db2.gz KHIXUEAIZAMONB-VOTSOKGWSA-N -1 3 230.242 2.800 20 0 BFADHM Cc1ccc(NC([O-])=NOC(C)C)c(F)c1 ZINC000297442914 386257442 /nfs/dbraw/zinc/25/74/42/386257442.db2.gz LPOBCGRUSSRVJW-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1ccc(NC(=O)[N-]OC(C)C)c(F)c1 ZINC000297442914 386257448 /nfs/dbraw/zinc/25/74/48/386257448.db2.gz LPOBCGRUSSRVJW-UHFFFAOYSA-N -1 3 226.251 2.596 20 0 BFADHM Cc1cc(=O)[n-]c(C=Cc2ccsc2)n1 ZINC000339116336 386258334 /nfs/dbraw/zinc/25/83/34/386258334.db2.gz LAHHSRZLTGSVNH-NSCUHMNNSA-N -1 3 218.281 2.723 20 0 BFADHM Cc1cc(C(=O)NC2CCCCC2)ccc1[O-] ZINC000226433266 386302608 /nfs/dbraw/zinc/30/26/08/386302608.db2.gz DKUIHUZHKBGSDV-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM C[C@H]1CC(C)(C)CN1C(=O)c1cccc([O-])c1 ZINC000335262537 386322058 /nfs/dbraw/zinc/32/20/58/386322058.db2.gz NZORBNIFZSAORD-JTQLQIEISA-N -1 3 233.311 2.653 20 0 BFADHM CCC1(C)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC000297526013 386261471 /nfs/dbraw/zinc/26/14/71/386261471.db2.gz YUYJHHVPUBIODR-UHFFFAOYSA-N -1 3 241.281 2.902 20 0 BFADHM Cc1cc(C)cc(NC([O-])=NOC(C)C)c1 ZINC000297601398 386267074 /nfs/dbraw/zinc/26/70/74/386267074.db2.gz ZGUBPKKFUNBCIG-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM Cc1cc(C)cc(NC(=O)[N-]OC(C)C)c1 ZINC000297601398 386267081 /nfs/dbraw/zinc/26/70/81/386267081.db2.gz ZGUBPKKFUNBCIG-UHFFFAOYSA-N -1 3 222.288 2.765 20 0 BFADHM C[C@H]([N-]C(=O)C(C)(F)F)c1cccc(F)c1F ZINC000289265021 386278387 /nfs/dbraw/zinc/27/83/87/386278387.db2.gz QRNDTZQRBATCHG-LURJTMIESA-N -1 3 249.207 2.797 20 0 BFADHM Cc1cc(C(=O)NC(C2CC2)C2CC2)ccc1[O-] ZINC000226715549 386368008 /nfs/dbraw/zinc/36/80/08/386368008.db2.gz SMOWDLFZINFIKS-UHFFFAOYSA-N -1 3 245.322 2.619 20 0 BFADHM Cc1cc(C(=O)N(C)CC2CCCC2)ccc1[O-] ZINC000226717389 386368058 /nfs/dbraw/zinc/36/80/58/386368058.db2.gz AKTFEIXVQZLJED-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CCCCN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000226714816 386369218 /nfs/dbraw/zinc/36/92/18/386369218.db2.gz XKGVYZPHVDSUJL-UHFFFAOYSA-N -1 3 235.327 2.963 20 0 BFADHM Cc1cc(C(=O)N(CC(C)C)C2CC2)ccc1[O-] ZINC000226718746 386372460 /nfs/dbraw/zinc/37/24/60/386372460.db2.gz XXQUPWIAURSZEM-UHFFFAOYSA-N -1 3 247.338 2.961 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)ccc1[O-] ZINC000227022696 386448178 /nfs/dbraw/zinc/44/81/78/386448178.db2.gz JJRADSIOXDRDCB-CYBMUJFWSA-N -1 3 247.338 2.961 20 0 BFADHM CCC1CCN(C(=O)c2ccc([O-])c(C)c2)CC1 ZINC000227019837 386448616 /nfs/dbraw/zinc/44/86/16/386448616.db2.gz XCLTTXDXEXALNY-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM Cc1cc(C(=O)N2CCC[C@H]2C(C)C)ccc1[O-] ZINC000227022704 386448702 /nfs/dbraw/zinc/44/87/02/386448702.db2.gz JJRADSIOXDRDCB-ZDUSSCGKSA-N -1 3 247.338 2.961 20 0 BFADHM CCC1(C)CN(C(=O)c2ccc(C)c(C)c2[O-])C1 ZINC000291002080 386497038 /nfs/dbraw/zinc/49/70/38/386497038.db2.gz BVIWNFLRDMSVIJ-UHFFFAOYSA-N -1 3 247.338 2.881 20 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CCc1cc(C(=O)N2CCC=C(F)C2)ccc1[O-] ZINC000291723265 386572511 /nfs/dbraw/zinc/57/25/11/386572511.db2.gz RFXMUDZBHHBWMU-UHFFFAOYSA-N -1 3 249.285 2.654 20 0 BFADHM O=C(CC1CCCCC1)[N-]OC/C=C/Cl ZINC000291984851 386603992 /nfs/dbraw/zinc/60/39/92/386603992.db2.gz ZMSKWZDDDWJIKD-QPJJXVBHSA-N -1 3 231.723 2.757 20 0 BFADHM CC[C@H](CC(=O)Nc1ncccc1[O-])C(C)C ZINC000104824918 386606949 /nfs/dbraw/zinc/60/69/49/386606949.db2.gz OQQJYYRPADRFFU-SNVBAGLBSA-N -1 3 236.315 2.798 20 0 BFADHM O=C(N[C@@H](C1CC1)C1CCC1)c1cccc([O-])c1 ZINC000325318720 386778499 /nfs/dbraw/zinc/77/84/99/386778499.db2.gz VKTXHZVRJUZFSW-CQSZACIVSA-N -1 3 245.322 2.701 20 0 BFADHM CN(Cc1c(F)ccc([O-])c1F)[C@@H]1CC1(C)C ZINC000353231308 386833035 /nfs/dbraw/zinc/83/30/35/386833035.db2.gz IVEJVIRFQGRLLV-LLVKDONJSA-N -1 3 241.281 2.901 20 0 BFADHM CS[C@@H](C)CNCc1c(F)ccc([O-])c1F ZINC000293628697 386852073 /nfs/dbraw/zinc/85/20/73/386852073.db2.gz NAQRFGLEOIBMIG-ZETCQYMHSA-N -1 3 247.310 2.512 20 0 BFADHM C[C@H]1C[C@H](C)N1Cc1cc([O-])cc(F)c1 ZINC000334842927 386888514 /nfs/dbraw/zinc/88/85/14/386888514.db2.gz BTAOJUDAWSPVAL-IUCAKERBSA-N -1 3 209.264 2.514 20 0 BFADHM C[C@H]1CC[C@H](C(=O)Nc2ccc([O-])cc2F)C1 ZINC000335772744 386919856 /nfs/dbraw/zinc/91/98/56/386919856.db2.gz KUTUEAXOUBXXMZ-IUCAKERBSA-N -1 3 237.274 2.906 20 0 BFADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccccn1 ZINC000334964335 387045430 /nfs/dbraw/zinc/04/54/30/387045430.db2.gz NMQKTPKZCROABF-SNVBAGLBSA-N -1 3 242.278 2.529 20 0 BFADHM O=C(CC1CCCCC1)Nc1ccncc1[O-] ZINC000109889752 387057771 /nfs/dbraw/zinc/05/77/71/387057771.db2.gz ZHSAAADFXHTZFC-UHFFFAOYSA-N -1 3 234.299 2.696 20 0 BFADHM Cc1ccc([O-])c(NC(=O)C2CC3(CCC3)C2)n1 ZINC000572003334 387218797 /nfs/dbraw/zinc/21/87/97/387218797.db2.gz NDKLFNDNMPQMTO-UHFFFAOYSA-N -1 3 246.310 2.614 20 0 BFADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000424763178 387356905 /nfs/dbraw/zinc/35/69/05/387356905.db2.gz PEELNOMPJKFUNH-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C)C2)c1 ZINC000354137209 387333816 /nfs/dbraw/zinc/33/38/16/387333816.db2.gz DCLSZUNHZLKBJL-NSHDSACASA-N -1 3 247.338 2.827 20 0 BFADHM CCc1ccc([O-])c(C(=O)N(C)CC(C)C)c1 ZINC000354174704 387341000 /nfs/dbraw/zinc/34/10/00/387341000.db2.gz DDOCJUPICDWULG-UHFFFAOYSA-N -1 3 235.327 2.683 20 0 BFADHM Cc1noc(C)c1[N-]C(=O)c1ccoc1Cl ZINC000336607688 387451029 /nfs/dbraw/zinc/45/10/29/387451029.db2.gz PVEMURYWPOWHJL-UHFFFAOYSA-N -1 3 240.646 2.790 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)n1 ZINC000361611048 387509930 /nfs/dbraw/zinc/50/99/30/387509930.db2.gz OXRDXAPBUFOKKF-YGRLFVJLSA-N -1 3 248.326 2.716 20 0 BFADHM CCN(CC1CCC1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000361482604 387469921 /nfs/dbraw/zinc/46/99/21/387469921.db2.gz YCOTWTYPAZCVJX-LLVKDONJSA-N -1 3 249.358 2.674 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000399514760 387551636 /nfs/dbraw/zinc/55/16/36/387551636.db2.gz APEUZVAMYYOHSQ-SDDRHHMPSA-N -1 3 247.338 2.817 20 0 BFADHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000399603177 387558558 /nfs/dbraw/zinc/55/85/58/387558558.db2.gz ZKRDGIKKWSAGIT-QJPTWQEYSA-N -1 3 247.338 2.817 20 0 BFADHM CCc1cc(C(=O)N[C@@H](C)CC2CC2)ccc1[O-] ZINC000362771333 387657783 /nfs/dbraw/zinc/65/77/83/387657783.db2.gz XZFQTEGUHOKPOA-JTQLQIEISA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)ccc1[O-] ZINC000362894611 387669163 /nfs/dbraw/zinc/66/91/63/387669163.db2.gz CPPVBPZMNFDHMD-QWRGUYRKSA-N -1 3 247.338 2.968 20 0 BFADHM C[C@@H]1[C@@H](C(=O)[N-]OCc2ccccc2)[C@H]1C1CC1 ZINC000527709986 387669382 /nfs/dbraw/zinc/66/93/82/387669382.db2.gz HXDOLANVGQECGO-ZLKJLUDKSA-N -1 3 245.322 2.527 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC(C)(C)CC2)c1 ZINC000061804083 387846962 /nfs/dbraw/zinc/84/69/62/387846962.db2.gz JTSQPWXWNBTBCB-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CO[C@H](C)[C@H](C)NCc1cccc([O-])c1Cl ZINC000293148175 387890513 /nfs/dbraw/zinc/89/05/13/387890513.db2.gz DLDRDYFDVJLNKS-DTWKUNHWSA-N -1 3 243.734 2.559 20 0 BFADHM CC(C)=CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000437004772 387911079 /nfs/dbraw/zinc/91/10/79/387911079.db2.gz XBEPACYVDRCTIV-UHFFFAOYSA-N -1 3 233.311 2.705 20 0 BFADHM CCCCN(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000221302380 387929480 /nfs/dbraw/zinc/92/94/80/387929480.db2.gz QSHCZWMJCUXXNB-UHFFFAOYSA-N -1 3 249.310 2.503 20 0 BFADHM COc1cccc(-c2nc(C3(C)CC3)no2)c1[O-] ZINC000156475095 387983903 /nfs/dbraw/zinc/98/39/03/387983903.db2.gz YFSWHWSHHPEVSA-UHFFFAOYSA-N -1 3 246.266 2.502 20 0 BFADHM C[C@H]1CC(NC(=O)c2cccc([O-])c2)C[C@H](C)C1 ZINC000084978915 388082000 /nfs/dbraw/zinc/08/20/00/388082000.db2.gz OTJBBVINNYOKTK-GHMZBOCLSA-N -1 3 247.338 2.947 20 0 BFADHM [O-]c1cccc(CN2CC(C3CC3)C2)c1Cl ZINC000646205948 388163883 /nfs/dbraw/zinc/16/38/83/388163883.db2.gz OHJAHDAKXQIYRZ-UHFFFAOYSA-N -1 3 237.730 2.887 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2(C(C)C)CC2)c1 ZINC000379709437 388132230 /nfs/dbraw/zinc/13/22/30/388132230.db2.gz ZOIOLWXNURFVCF-UHFFFAOYSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@@]2(C)CC=CCC2)n1 ZINC000451484289 388277635 /nfs/dbraw/zinc/27/76/35/388277635.db2.gz GTXJGFMVLZENGE-AWEZNQCLSA-N -1 3 246.310 2.781 20 0 BFADHM O=C(/C=C\c1cscn1)Nc1ccccc1[O-] ZINC000492304742 388340886 /nfs/dbraw/zinc/34/08/86/388340886.db2.gz QVDMNAHVMCJXKD-WAYWQWQTSA-N -1 3 246.291 2.501 20 0 BFADHM C[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000646488482 388365870 /nfs/dbraw/zinc/36/58/70/388365870.db2.gz ZUDKPKWKHPTKNU-RNFRBKRXSA-N -1 3 225.675 2.640 20 0 BFADHM CCC1(C(=O)N=c2[nH][n-]c(C(C)C)c2C)CCC1 ZINC000649231322 388464459 /nfs/dbraw/zinc/46/44/59/388464459.db2.gz QESMWIPTTCBRIM-UHFFFAOYSA-N -1 3 249.358 2.782 20 0 BFADHM CCC(CC)C(=O)N=c1[nH][n-]c(C(C)C)c1C ZINC000649233639 388464632 /nfs/dbraw/zinc/46/46/32/388464632.db2.gz YQUPHMWUGUPTSM-UHFFFAOYSA-N -1 3 237.347 2.638 20 0 BFADHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccccc1 ZINC000649234105 388465121 /nfs/dbraw/zinc/46/51/21/388465121.db2.gz SNAAYFLBVBMLDA-UHFFFAOYSA-N -1 3 243.310 2.516 20 0 BFADHM O=C(c1ccccc1[O-])N1CCC(C2CC2)CC1 ZINC000646761140 388484853 /nfs/dbraw/zinc/48/48/53/388484853.db2.gz INFAEINLOWGYLV-UHFFFAOYSA-N -1 3 245.322 2.654 20 0 BFADHM c1ccc(-c2nc(SCCC3CC3)n[n-]2)nc1 ZINC000548146654 388516776 /nfs/dbraw/zinc/51/67/76/388516776.db2.gz RFWLIBVCBOJOON-UHFFFAOYSA-N -1 3 246.339 2.759 20 0 BFADHM Cc1cc(C(=O)[N-]c2nc(C(C)(C)C)co2)on1 ZINC000520834467 388519067 /nfs/dbraw/zinc/51/90/67/388519067.db2.gz CRIRGKMOHHJFAL-UHFFFAOYSA-N -1 3 249.270 2.521 20 0 BFADHM [O-]c1ccc(F)c(/C=C\c2ccncn2)c1F ZINC000517065560 388536844 /nfs/dbraw/zinc/53/68/44/388536844.db2.gz HJEUEJMGOHNZSG-UPHRSURJSA-N -1 3 234.205 2.631 20 0 BFADHM C[C@@H]1[C@H](C(=O)Nc2cc(F)ccc2[O-])[C@H]1C1CC1 ZINC000528901098 388581950 /nfs/dbraw/zinc/58/19/50/388581950.db2.gz JPLMFEMEEOSDGT-YLJLNXRRSA-N -1 3 249.285 2.762 20 0 BFADHM CCc1onc(C)c1[N-]C(=O)c1cocc1C ZINC000528916988 388583149 /nfs/dbraw/zinc/58/31/49/388583149.db2.gz SEBLEPSPONWZHV-UHFFFAOYSA-N -1 3 234.255 2.699 20 0 BFADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@H](C2CC2)[C@@H]1C ZINC000528952020 388585955 /nfs/dbraw/zinc/58/59/55/388585955.db2.gz ZRKSJOSRJUPEGC-TVYUQYBPSA-N -1 3 245.322 2.931 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@@H]2C(C)C)c1[O-] ZINC000538338679 388684826 /nfs/dbraw/zinc/68/48/26/388684826.db2.gz YWLUPIRCNWQQFP-CYBMUJFWSA-N -1 3 247.338 2.825 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1cccs1 ZINC000128276720 388743718 /nfs/dbraw/zinc/74/37/18/388743718.db2.gz VOLDLHIRJKIJKZ-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM CCOC(=O)Cc1ccc(C(F)(F)F)cc1[O-] ZINC000575339178 388749393 /nfs/dbraw/zinc/74/93/93/388749393.db2.gz MIHFXZBYNAAGGY-UHFFFAOYSA-N -1 3 248.200 2.517 20 0 BFADHM O=C(NCC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000088459091 388731966 /nfs/dbraw/zinc/73/19/66/388731966.db2.gz YUAJYKYNYCYVMF-UHFFFAOYSA-N -1 3 245.322 2.558 20 0 BFADHM Cc1cc(C)c(C(=O)Nc2cccc([O-])c2F)[nH]1 ZINC000128444223 388760632 /nfs/dbraw/zinc/76/06/32/388760632.db2.gz NNGQWVJKZZPJCH-UHFFFAOYSA-N -1 3 248.257 2.729 20 0 BFADHM O=C(Nc1cccc([O-])c1F)c1ccsc1 ZINC000128478402 388763085 /nfs/dbraw/zinc/76/30/85/388763085.db2.gz ZQBVOLKWBIWTLW-UHFFFAOYSA-N -1 3 237.255 2.845 20 0 BFADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)o1 ZINC000128495409 388766425 /nfs/dbraw/zinc/76/64/25/388766425.db2.gz XTWJIFDBUSVNQK-UHFFFAOYSA-N -1 3 249.241 2.993 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H]2C)c1 ZINC000539841326 388784716 /nfs/dbraw/zinc/78/47/16/388784716.db2.gz NSUVKWBQJUKQRF-WDEREUQCSA-N -1 3 247.338 2.825 20 0 BFADHM CCc1cccc(C(=O)N2CCC[C@@H]2CC)c1[O-] ZINC000539844895 388785224 /nfs/dbraw/zinc/78/52/24/388785224.db2.gz ZIPMEIJBWDHKIY-LBPRGKRZSA-N -1 3 247.338 2.969 20 0 BFADHM CCc1cccc(C(=O)N(C(C)C)C2CC2)c1[O-] ZINC000539890360 388788011 /nfs/dbraw/zinc/78/80/11/388788011.db2.gz XXMSVBHOMVFELX-UHFFFAOYSA-N -1 3 247.338 2.968 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2CC[C@H](C)C2)ccc1[O-] ZINC000232386272 388849704 /nfs/dbraw/zinc/84/97/04/388849704.db2.gz KOARREJGYHDPKA-CMPLNLGQSA-N -1 3 247.338 2.867 20 0 BFADHM Cc1cc(C(=O)NC[C@H]2CC[C@H](C)C2)ccc1[O-] ZINC000232386273 388849769 /nfs/dbraw/zinc/84/97/69/388849769.db2.gz KOARREJGYHDPKA-JQWIXIFHSA-N -1 3 247.338 2.867 20 0 BFADHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2C)ccc1[O-] ZINC000232386287 388850409 /nfs/dbraw/zinc/85/04/09/388850409.db2.gz LXGRJFVUWMEFBW-MFKMUULPSA-N -1 3 247.338 2.867 20 0 BFADHM Cc1ccc(C(=O)N[C@H](C)CC2CC2)c([O-])c1 ZINC000070104939 388875819 /nfs/dbraw/zinc/87/58/19/388875819.db2.gz KZBZGORPMHOVSO-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)N[C@@H](C)CC2CC2)c([O-])c1 ZINC000070104938 388875826 /nfs/dbraw/zinc/87/58/26/388875826.db2.gz KZBZGORPMHOVSO-JTQLQIEISA-N -1 3 233.311 2.619 20 0 BFADHM Cc1cccc(C(=O)N[C@H](C)CC2CC2)c1[O-] ZINC000070104951 388875831 /nfs/dbraw/zinc/87/58/31/388875831.db2.gz ANDVMKLEYWTBCE-SNVBAGLBSA-N -1 3 233.311 2.619 20 0 BFADHM CC[C@H](C)[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000042435364 322838150 /nfs/dbraw/zinc/83/81/50/322838150.db2.gz MPDMWHUNZWGOAZ-QWRGUYRKSA-N -1 3 235.327 2.865 20 0 BFADHM C[C@H](C(=O)N1CCCc2cccc([O-])c21)C1CC1 ZINC000163683872 132236023 /nfs/dbraw/zinc/23/60/23/132236023.db2.gz KDQBMKLQKWDDPD-JTQLQIEISA-N -1 3 245.322 2.718 20 0 BFADHM CC[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063782 132388921 /nfs/dbraw/zinc/38/89/21/132388921.db2.gz CYEXGNKMUUJPSO-SNVBAGLBSA-N -1 3 233.311 2.718 20 0 BFADHM Cc1cccc([O-])c1NC(=O)C[C@H]1C[C@H]1C ZINC000336099322 134081156 /nfs/dbraw/zinc/08/11/56/134081156.db2.gz JYEIAMZNUGFOQY-NXEZZACHSA-N -1 3 219.284 2.685 20 0 BFADHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C)c1 ZINC000175833710 134289068 /nfs/dbraw/zinc/28/90/68/134289068.db2.gz UXLMTYYGANXXGU-SNVBAGLBSA-N -1 3 233.311 2.579 20 0 BFADHM Cc1ccncc1NC(=O)c1ccc([O-])c(C)c1 ZINC000226996148 134371146 /nfs/dbraw/zinc/37/11/46/134371146.db2.gz ITGKZQSRJUXRJG-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM CC[C@H]1CCN(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000227038972 134373492 /nfs/dbraw/zinc/37/34/92/134373492.db2.gz HNEQUIGZYKVDJU-NSHDSACASA-N -1 3 233.311 2.573 20 0 BFADHM CC1(C)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000061822150 134803169 /nfs/dbraw/zinc/80/31/69/134803169.db2.gz XQEVXPXVWWCXSQ-UHFFFAOYSA-N -1 3 233.311 2.654 20 0 BFADHM O=C(Nc1ccccn1)c1cc([O-])ccc1Cl ZINC000236559143 134830364 /nfs/dbraw/zinc/83/03/64/134830364.db2.gz QXDQKULPQDMZGS-UHFFFAOYSA-N -1 3 248.669 2.693 20 0 BFADHM O=C([O-])c1ccc(CNCC2=CCCCC2)cc1 ZINC000263309745 135345960 /nfs/dbraw/zinc/34/59/60/135345960.db2.gz GDTCHQPLBLVZSO-UHFFFAOYSA-N -1 3 245.322 2.975 20 0 BFADHM O=C([O-])c1ccc(CN2CC(C3CCC3)C2)cc1 ZINC000263429374 135353613 /nfs/dbraw/zinc/35/36/13/135353613.db2.gz RPMUWGZSFXGDHX-UHFFFAOYSA-N -1 3 245.322 2.617 20 0 BFADHM CCc1cc(NCCC(=O)[O-])c2ccccc2n1 ZINC000263535161 135358893 /nfs/dbraw/zinc/35/88/93/135358893.db2.gz YTSIGWVIXTYBRJ-UHFFFAOYSA-N -1 3 244.294 2.684 20 0 BFADHM Cc1cc(CNCc2ncccc2[O-])ccc1F ZINC000347915199 136018430 /nfs/dbraw/zinc/01/84/30/136018430.db2.gz AKDDIDNERZMBJY-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM [O-]c1cccnc1CNCc1ccccc1Cl ZINC000347931517 136018887 /nfs/dbraw/zinc/01/88/87/136018887.db2.gz ZEQMRVCXLBJCOI-UHFFFAOYSA-N -1 3 248.713 2.730 20 0 BFADHM Cc1ccc(C(=O)N2CCC(C)(C)CC2)c([O-])c1 ZINC000061804093 322858204 /nfs/dbraw/zinc/85/82/04/322858204.db2.gz NCNMUBRNHOVRKS-UHFFFAOYSA-N -1 3 247.338 2.963 20 0 BFADHM CC(C)c1scnc1[N-]C(=O)c1ccon1 ZINC000554702155 397964992 /nfs/dbraw/zinc/96/49/92/397964992.db2.gz RJAHJIAMPCVLEZ-UHFFFAOYSA-N -1 3 237.284 2.507 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CC2)c1 ZINC000362015109 397977569 /nfs/dbraw/zinc/97/75/69/397977569.db2.gz VQHRDMBZAPLGMO-ZDUSSCGKSA-N -1 3 245.322 2.715 20 0 BFADHM CCc1cccc(C(=O)N2CC[C@H](C)[C@H]2C)c1[O-] ZINC000530986261 398087653 /nfs/dbraw/zinc/08/76/53/398087653.db2.gz CJNKJIFCURQDNY-WDEREUQCSA-N -1 3 247.338 2.825 20 0 BFADHM CCO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000281161805 398057721 /nfs/dbraw/zinc/05/77/21/398057721.db2.gz HDYDZUBBIJRAJJ-UHFFFAOYSA-N -1 3 233.311 2.638 20 0 BFADHM [O-]c1coc2cc(OCC3CCCC3)ccc12 ZINC000057523904 410179211 /nfs/dbraw/zinc/17/92/11/410179211.db2.gz JZKXPMPFXHBOBQ-UHFFFAOYSA-N -1 3 232.279 2.831 20 0 BFADHM Cc1ccc(C(=O)NC2(C3CCC3)CC2)c([O-])c1 ZINC000650667752 410290508 /nfs/dbraw/zinc/29/05/08/410290508.db2.gz RNGNSRVFYJAURV-UHFFFAOYSA-N -1 3 245.322 2.763 20 0 BFADHM CC(C)OC(=O)Cc1ccc([O-])cc1Cl ZINC000353056088 167161934 /nfs/dbraw/zinc/16/19/34/167161934.db2.gz HUOZGJNZTLPJJT-UHFFFAOYSA-N -1 3 228.675 2.540 20 0 BFADHM CC(C)OC(=O)c1cc2ccsc2[n-]1 ZINC000049453515 167171972 /nfs/dbraw/zinc/17/19/72/167171972.db2.gz RTFIPMOGNDKYED-UHFFFAOYSA-N -1 3 209.270 2.795 20 0 BFADHM CC(C)O[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000294289323 167273379 /nfs/dbraw/zinc/27/33/79/167273379.db2.gz ZBLAREJTZNCFEM-GQCTYLIASA-N -1 3 245.731 2.871 20 0 BFADHM O=C(Nc1ncccc1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000651704978 411137428 /nfs/dbraw/zinc/13/74/28/411137428.db2.gz BOSBBTCFAZJSOS-WDEREUQCSA-N -1 3 246.310 2.552 20 0 BFADHM CC(C)=CCN(CCC(=O)[O-])Cc1ccccc1 ZINC000659790722 411281100 /nfs/dbraw/zinc/28/11/00/411281100.db2.gz XMKGDMIBETZMJF-UHFFFAOYSA-N -1 3 247.338 2.930 20 0 BFADHM Cc1oc(C)c(C(=O)Nc2ncccc2[O-])c1C ZINC000656496974 411287627 /nfs/dbraw/zinc/28/76/27/411287627.db2.gz JSHQXTGTXBYGGT-UHFFFAOYSA-N -1 3 246.266 2.558 20 0 BFADHM CC1(CC(=O)[N-]OC/C=C/Cl)CCCC1 ZINC000291882007 168016556 /nfs/dbraw/zinc/01/65/56/168016556.db2.gz QKTUVWSERLVERJ-QPJJXVBHSA-N -1 3 231.723 2.757 20 0 BFADHM CC1(CCNCc2c(F)ccc([O-])c2F)CC1 ZINC000294543243 168021080 /nfs/dbraw/zinc/02/10/80/168021080.db2.gz DTSZNJJVTASCCR-UHFFFAOYSA-N -1 3 241.281 2.950 20 0 BFADHM CC1(NC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000232874390 168059448 /nfs/dbraw/zinc/05/94/48/168059448.db2.gz HXKZSWZTZFJMER-UHFFFAOYSA-N -1 3 239.702 2.718 20 0 BFADHM CC1=C(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000336544315 168078443 /nfs/dbraw/zinc/07/84/43/168078443.db2.gz GWHKJIVGXMJTRJ-UHFFFAOYSA-N -1 3 249.285 2.648 20 0 BFADHM Cc1ccc([O-])c(C(=O)N2CCC(C)=C(C)C2)c1 ZINC000280330664 168083302 /nfs/dbraw/zinc/08/33/02/168083302.db2.gz ZPEAXMYPEYTPGU-UHFFFAOYSA-N -1 3 245.322 2.883 20 0 BFADHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C)=C(C)C2)n1 ZINC000280741155 168086679 /nfs/dbraw/zinc/08/66/79/168086679.db2.gz MHVUFKNMRDMVFT-GFCCVEGCSA-N -1 3 247.342 2.594 20 0 BFADHM CC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000019839252 168162618 /nfs/dbraw/zinc/16/26/18/168162618.db2.gz FRMNMBVIVYDOPB-UHFFFAOYSA-N -1 3 233.311 2.701 20 0 BFADHM CCC(C)(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132960513 168266069 /nfs/dbraw/zinc/26/60/69/168266069.db2.gz ZELFRVHVDKVXCP-UHFFFAOYSA-N -1 3 239.290 2.584 20 0 BFADHM CCC(C)(C)N(C)C(=O)c1ccccc1[O-] ZINC000069015291 168285102 /nfs/dbraw/zinc/28/51/02/168285102.db2.gz JOOBELJRSOARFR-UHFFFAOYSA-N -1 3 221.300 2.653 20 0 BFADHM O=C(Nc1c([O-])cccc1Cl)[C@H]1CC12CC2 ZINC000655110449 411497103 /nfs/dbraw/zinc/49/71/03/411497103.db2.gz YPUHOGSUNPHVLU-SSDOTTSWSA-N -1 3 237.686 2.784 20 0 BFADHM CCO[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000073083511 170463342 /nfs/dbraw/zinc/46/33/42/170463342.db2.gz BFBBPGGVSREOGR-UHFFFAOYSA-N -1 3 247.294 2.660 20 0 BFADHM CC[C@@H](C)CCC(=O)Nc1nc(C)ccc1[O-] ZINC000355499278 170692903 /nfs/dbraw/zinc/69/29/03/170692903.db2.gz KXFOXYKLIGTNDS-SECBINFHSA-N -1 3 236.315 2.860 20 0 BFADHM C[C@@H]1CC[C@@H](Oc2ccc3c([O-])coc3c2)C1 ZINC000664137281 411867544 /nfs/dbraw/zinc/86/75/44/411867544.db2.gz ZDWOHNLYKWDXMV-NXEZZACHSA-N -1 3 232.279 2.829 20 0 BFADHM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(O)cc1[O-] ZINC000662032682 411949655 /nfs/dbraw/zinc/94/96/55/411949655.db2.gz CRCMBEMIYIEKJV-VIFPVBQESA-N -1 3 249.310 2.501 20 0 BFADHM CC[C@H](C(=O)[O-])N(C)Cc1ccccc1Cl ZINC000042437560 171236024 /nfs/dbraw/zinc/23/60/24/171236024.db2.gz CWMAHBJAQSEODD-LLVKDONJSA-N -1 3 241.718 2.635 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)CCc1ccsc1 ZINC000292131494 171288704 /nfs/dbraw/zinc/28/87/04/171288704.db2.gz PUUNMQRDCQRJTG-JTQLQIEISA-N -1 3 241.356 2.775 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)c1c(F)cccc1F ZINC000293733192 171289789 /nfs/dbraw/zinc/28/97/89/171289789.db2.gz NLGRJXAEARJJJZ-QMMMGPOBSA-N -1 3 243.253 2.672 20 0 BFADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(F)c1 ZINC000291976821 171289865 /nfs/dbraw/zinc/28/98/65/171289865.db2.gz YESJWRVQTVUFNE-VIFPVBQESA-N -1 3 240.278 2.925 20 0 BFADHM CC[C@H](C)N(OC)C(=O)c1cccc(C)c1[O-] ZINC000269133673 171316996 /nfs/dbraw/zinc/31/69/96/171316996.db2.gz MCNUYONBQFIAQY-JTQLQIEISA-N -1 3 237.299 2.503 20 0 BFADHM CCc1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000273480507 172071103 /nfs/dbraw/zinc/07/11/03/172071103.db2.gz SNTIQQVRUNHSJY-UHFFFAOYSA-N -1 3 244.294 2.883 20 0 BFADHM CNC(=O)c1cccc(-c2ccc([O-])cc2F)c1 ZINC000065340985 173311352 /nfs/dbraw/zinc/31/13/52/173311352.db2.gz JELMTSQRCUJQKY-UHFFFAOYSA-N -1 3 245.253 2.558 20 0 BFADHM COCCCN(C)Cc1cccc([O-])c1Cl ZINC000295451697 174218633 /nfs/dbraw/zinc/21/86/33/174218633.db2.gz VGSIZAZKGBUAMX-UHFFFAOYSA-N -1 3 243.734 2.514 20 0 BFADHM CO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000155613634 174663739 /nfs/dbraw/zinc/66/37/39/174663739.db2.gz CDONUJSNALIWJB-LLVKDONJSA-N -1 3 235.327 2.981 20 0 BFADHM COc1ccc(NC(=O)CC2CCC2)c([O-])c1 ZINC000135432273 175141901 /nfs/dbraw/zinc/14/19/01/175141901.db2.gz AMEHAHBINPTKJS-UHFFFAOYSA-N -1 3 235.283 2.530 20 0 BFADHM COc1ccsc1C(=O)Nc1ccccc1[O-] ZINC000106283046 175377089 /nfs/dbraw/zinc/37/70/89/175377089.db2.gz YQTWZNCXBVNTCS-UHFFFAOYSA-N -1 3 249.291 2.715 20 0 BFADHM C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000037251112 176122408 /nfs/dbraw/zinc/12/24/08/176122408.db2.gz LVLLKKINOFSAGV-GHMZBOCLSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC000153744748 176163568 /nfs/dbraw/zinc/16/35/68/176163568.db2.gz HUOGEAJFABXTDW-MNOVXSKESA-N -1 3 233.311 2.510 20 0 BFADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000291761993 176201363 /nfs/dbraw/zinc/20/13/63/176201363.db2.gz HXTCIJUTKBZSAR-CNZCLXAMSA-N -1 3 231.723 2.613 20 0 BFADHM C[C@@H]1CC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000336299703 176207110 /nfs/dbraw/zinc/20/71/10/176207110.db2.gz JXJRHAVNLBHDEI-ZYHUDNBSSA-N -1 3 233.311 2.653 20 0 BFADHM C[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000336554451 176221495 /nfs/dbraw/zinc/22/14/95/176221495.db2.gz RKDLBIATSQTBMP-ZJUUUORDSA-N -1 3 219.284 2.767 20 0 BFADHM C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC000153744961 176262553 /nfs/dbraw/zinc/26/25/53/176262553.db2.gz HUOGEAJFABXTDW-GHMZBOCLSA-N -1 3 233.311 2.510 20 0 BFADHM C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H]1C ZINC000295460164 176301113 /nfs/dbraw/zinc/30/11/13/176301113.db2.gz VUQUPTKRUYLOCY-DTORHVGOSA-N -1 3 241.281 2.758 20 0 BFADHM C[C@H](N(C)Cc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000042770968 176744710 /nfs/dbraw/zinc/74/47/10/176744710.db2.gz LUMUZRLNJYVZIJ-VIFPVBQESA-N -1 3 239.315 2.844 20 0 BFADHM C[C@H]1CCCCN(C(=O)c2cccc([O-])c2)C1 ZINC000186455427 177071607 /nfs/dbraw/zinc/07/16/07/177071607.db2.gz VWHLVNWSYXJDGK-NSHDSACASA-N -1 3 233.311 2.654 20 0 BFADHM C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000019839639 177082692 /nfs/dbraw/zinc/08/26/92/177082692.db2.gz CLWXUFKDPSNRTE-GWCFXTLKSA-N -1 3 233.311 2.701 20 0 BFADHM C[C@H]1CC[C@@H](CC(=O)Nc2ncccc2[O-])C1 ZINC000128656697 177188000 /nfs/dbraw/zinc/18/80/00/177188000.db2.gz NMRJLLVDOQZARR-VHSXEESVSA-N -1 3 234.299 2.552 20 0 BFADHM C[C@H]1CC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000335552822 177195266 /nfs/dbraw/zinc/19/52/66/177195266.db2.gz DQNUKDPRJKLEGJ-CPCISQLKSA-N -1 3 239.702 2.574 20 0 BFADHM C[C@@H]1CCN(C(=O)c2cccc([O-])c2)[C@@H](C)C1 ZINC000051734498 177354986 /nfs/dbraw/zinc/35/49/86/177354986.db2.gz VYGYAKPLTPKKOY-MNOVXSKESA-N -1 3 233.311 2.653 20 0 BFADHM CCc1cc(=O)[n-]c(CN2[C@@H](C)CC[C@@H]2CC)n1 ZINC000271526046 487638276 /nfs/dbraw/zinc/63/82/76/487638276.db2.gz LRNBITXVUHTSOB-JQWIXIFHSA-N -1 3 249.358 2.508 20 0 BFADHM C[C@@H]1C[C@H](C)N(Cc2c(F)ccc([O-])c2F)C1 ZINC000508721425 226373684 /nfs/dbraw/zinc/37/36/84/226373684.db2.gz XJKCXRSGGPUHGE-BDAKNGLRSA-N -1 3 241.281 2.901 20 0 BFADHM Cc1cc(CN(C)CCC(C)C)oc1C(=O)[O-] ZINC000042457349 487750404 /nfs/dbraw/zinc/75/04/04/487750404.db2.gz XSWKMVJISCPZDG-UHFFFAOYSA-N -1 3 239.315 2.764 20 0 BFADHM CN(Cc1ccc(C(=O)[O-])o1)CC1CCCC1 ZINC000110837863 487776460 /nfs/dbraw/zinc/77/64/60/487776460.db2.gz BZYRKTVHPSMAHW-UHFFFAOYSA-N -1 3 237.299 2.600 20 0 BFADHM CCc1ccc(C(=O)N2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000672138480 487821826 /nfs/dbraw/zinc/82/18/26/487821826.db2.gz VPDKSPNOVXJXCS-YPMHNXCESA-N -1 3 245.322 2.579 20 0 BFADHM C[Si](C)(C)CCCC(=O)[N-]OCCC1CC1 ZINC000848128372 588359156 /nfs/dbraw/zinc/35/91/56/588359156.db2.gz ANBIRVRHYQUELG-UHFFFAOYSA-N -1 3 243.423 2.953 20 0 BFADHM CCCCC[C@H](CC)Oc1[n-]c(=O)nnc1C ZINC001226460379 974910558 /nfs/dbraw/zinc/91/05/58/974910558.db2.gz CKWAOVDXZQJSCD-JTQLQIEISA-N -1 3 239.319 2.623 20 0 BFADHM COC1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000681966171 487873416 /nfs/dbraw/zinc/87/34/16/487873416.db2.gz IHMHEEAZHCTDOO-UHFFFAOYSA-N -1 3 249.310 2.536 20 0 BFADHM O=C(Nc1ccccc1[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666920734 487904312 /nfs/dbraw/zinc/90/43/12/487904312.db2.gz BRCFOLOSXRRDRV-HBNTYKKESA-N -1 3 231.295 2.767 20 0 BFADHM CCc1cccc(C(=O)NCCC(C)C)c1[O-] ZINC000531119088 323003855 /nfs/dbraw/zinc/00/38/55/323003855.db2.gz LTIDANKPUSTJJY-UHFFFAOYSA-N -1 3 235.327 2.731 20 0 BFADHM CC(C)(C)[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000160213395 323064214 /nfs/dbraw/zinc/06/42/14/323064214.db2.gz GHUDLGFHQRGNRH-JTQLQIEISA-N -1 3 248.326 2.652 20 0 BFADHM CC[C@@H]1CCN(Cc2cc(C(=O)[O-])oc2C)C1 ZINC000160605183 323073581 /nfs/dbraw/zinc/07/35/81/323073581.db2.gz CROZHNAYSLIWHO-SNVBAGLBSA-N -1 3 237.299 2.518 20 0 BFADHM CC[C@@H]1CCN(Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC000160607440 323073669 /nfs/dbraw/zinc/07/36/69/323073669.db2.gz VKMXDCNJTPNJNK-SNVBAGLBSA-N -1 3 237.299 2.518 20 0 BFADHM CC1C[C@H]2CC[C@@H](C1)N2c1ccncc1C(=O)[O-] ZINC000565256366 323076856 /nfs/dbraw/zinc/07/68/56/323076856.db2.gz YSYDAUBIUQEQGS-FGWVZKOKSA-N -1 3 246.310 2.547 20 0 BFADHM C[C@H]1CC(C)(C)CN1Cc1cc(C(=O)[O-])co1 ZINC000563280149 323107826 /nfs/dbraw/zinc/10/78/26/323107826.db2.gz LNOWJHBWRASDJA-VIFPVBQESA-N -1 3 237.299 2.598 20 0 BFADHM CCC[C@@H]1CCCN(c2ccncc2C(=O)[O-])C1 ZINC000563625430 323132215 /nfs/dbraw/zinc/13/22/15/323132215.db2.gz REDJMXCTNKLFIV-LLVKDONJSA-N -1 3 248.326 2.796 20 0 BFADHM CCC[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000571351758 323142482 /nfs/dbraw/zinc/14/24/82/323142482.db2.gz OICPTULYILHXDT-RKDXNWHRSA-N -1 3 237.274 2.906 20 0 BFADHM Cc1ccc(C(=O)Nc2ccncc2)c([O-])c1C ZINC000048403182 323153445 /nfs/dbraw/zinc/15/34/45/323153445.db2.gz GJCQWVSOSKQFPU-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc([O-])c(C(=O)NC2(C)CCCC2)c1 ZINC000112703338 323171606 /nfs/dbraw/zinc/17/16/06/323171606.db2.gz IMEGHOTWSLVYBE-UHFFFAOYSA-N -1 3 233.311 2.763 20 0 BFADHM CC(C)CC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000070185374 323172356 /nfs/dbraw/zinc/17/23/56/323172356.db2.gz FVVXTOJJWGWMDI-NSHDSACASA-N -1 3 235.327 2.947 20 0 BFADHM C[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC000070308302 323186170 /nfs/dbraw/zinc/18/61/70/323186170.db2.gz BRKKZPZFUPREHC-SNVBAGLBSA-N -1 3 233.311 2.701 20 0 BFADHM CCc1cccc(C(=O)N(C)C2CCC2)c1[O-] ZINC000535789618 323191504 /nfs/dbraw/zinc/19/15/04/323191504.db2.gz DCLLUDMGRQIZHQ-UHFFFAOYSA-N -1 3 233.311 2.579 20 0 BFADHM CCc1cccc(C(=O)N(C)[C@H](C)CC)c1[O-] ZINC000536687236 323201381 /nfs/dbraw/zinc/20/13/81/323201381.db2.gz ZSEDUHMSTRCEQS-SNVBAGLBSA-N -1 3 235.327 2.825 20 0 BFADHM CC[C@@]1(C)CCN(C(=O)c2cccc(C)c2[O-])C1 ZINC000399300425 323203050 /nfs/dbraw/zinc/20/30/50/323203050.db2.gz MTEXMNDNNZYUNC-HNNXBMFYSA-N -1 3 247.338 2.963 20 0 BFADHM CC[C@@H]1C[C@@H](C)CN1Cc1cc(C(=O)[O-])co1 ZINC000399509512 323396333 /nfs/dbraw/zinc/39/63/33/323396333.db2.gz GDHBDEAYMRIJPW-MWLCHTKSSA-N -1 3 237.299 2.598 20 0 BFADHM CCC[C@@H](C)CC(=O)N=c1cc2ccccn2[n-]1 ZINC000520860087 324176494 /nfs/dbraw/zinc/17/64/94/324176494.db2.gz PFWURZCVWXLASD-LLVKDONJSA-N -1 3 245.326 2.521 20 0 BFADHM Cc1ccc([O-])c(NC(=O)[C@H]2CCCC23CC3)n1 ZINC000529203917 324260386 /nfs/dbraw/zinc/26/03/86/324260386.db2.gz YVALUICSONVXEE-SNVBAGLBSA-N -1 3 246.310 2.614 20 0 BFADHM CC(C)ON=C([O-])Nc1ccc2occc2c1 ZINC000529288463 324269995 /nfs/dbraw/zinc/26/99/95/324269995.db2.gz SSZMUULNZPDOID-UHFFFAOYSA-N -1 3 234.255 2.894 20 0 BFADHM CC(C)O[N-]C(=O)Nc1ccc2occc2c1 ZINC000529288463 324269998 /nfs/dbraw/zinc/26/99/98/324269998.db2.gz SSZMUULNZPDOID-UHFFFAOYSA-N -1 3 234.255 2.894 20 0 BFADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000128348904 324827926 /nfs/dbraw/zinc/82/79/26/324827926.db2.gz WCHKLBHJBWCFQJ-AMIZOPFISA-N -1 3 237.274 2.906 20 0 BFADHM Cc1ccc(C(=O)Nc2ccnc(C)c2)c([O-])c1 ZINC000072709924 325168067 /nfs/dbraw/zinc/16/80/67/325168067.db2.gz DVXIKNCNLWSBKP-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000132939468 325254829 /nfs/dbraw/zinc/25/48/29/325254829.db2.gz BWFYAQOTOKOIJO-GXSJLCMTSA-N -1 3 233.311 2.619 20 0 BFADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000132939660 325254892 /nfs/dbraw/zinc/25/48/92/325254892.db2.gz BWFYAQOTOKOIJO-ONGXEEELSA-N -1 3 233.311 2.619 20 0 BFADHM CCc1noc(C)c1[N-]C(=O)c1ccc(C)o1 ZINC000133297984 325284540 /nfs/dbraw/zinc/28/45/40/325284540.db2.gz ZLLLSTBHQNFFPN-UHFFFAOYSA-N -1 3 234.255 2.699 20 0 BFADHM Cc1noc([N-]Cc2cc3ccccc3o2)n1 ZINC000134428414 325358481 /nfs/dbraw/zinc/35/84/81/325358481.db2.gz YDRSQBFKNOHLAS-UHFFFAOYSA-N -1 3 229.239 2.736 20 0 BFADHM Cc1cccc(C(=O)Nc2ccccc2O)c1[O-] ZINC000078787198 325431865 /nfs/dbraw/zinc/43/18/65/325431865.db2.gz IWEUGUJRYNWHGL-UHFFFAOYSA-N -1 3 243.262 2.659 20 0 BFADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246621447 325573886 /nfs/dbraw/zinc/57/38/86/325573886.db2.gz XUAKYXBJOQRXRO-IWIIMEHWSA-N -1 3 249.285 2.906 20 0 BFADHM CCc1cccc(C(=O)N2CCCC[C@H]2C)c1[O-] ZINC000552356400 325624454 /nfs/dbraw/zinc/62/44/54/325624454.db2.gz RDNJCHHFPUJBRI-LLVKDONJSA-N -1 3 247.338 2.969 20 0 BFADHM C[C@@H](NC(=O)c1cc([O-])ccc1F)C(C)(C)C ZINC000565145099 325861918 /nfs/dbraw/zinc/86/19/18/325861918.db2.gz FZHQWELIIXKTTN-MRVPVSSYSA-N -1 3 239.290 2.696 20 0 BFADHM O=C(Nc1cccc([O-])c1F)[C@@H]1C[C@H]1C1CCC1 ZINC000566335981 326034313 /nfs/dbraw/zinc/03/43/13/326034313.db2.gz MJLBDBMZTYBBCY-VHSXEESVSA-N -1 3 249.285 2.906 20 0 BFADHM CC(C)C[C@@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000307818313 326116522 /nfs/dbraw/zinc/11/65/22/326116522.db2.gz NVTYJLOQFXROAT-NSHDSACASA-N -1 3 248.326 2.652 20 0 BFADHM CC(C)C[C@H]1CCN(c2ccncc2C(=O)[O-])C1 ZINC000307818312 326116613 /nfs/dbraw/zinc/11/66/13/326116613.db2.gz NVTYJLOQFXROAT-LLVKDONJSA-N -1 3 248.326 2.652 20 0 BFADHM Cc1ccc(C(=O)Nc2ccc(C)nc2)c([O-])c1 ZINC000154272543 326137584 /nfs/dbraw/zinc/13/75/84/326137584.db2.gz SYKVSDHQSCMZJQ-UHFFFAOYSA-N -1 3 242.278 2.656 20 0 BFADHM C[C@@H](c1ccco1)N(CCCC(=O)[O-])C1CC1 ZINC000567554688 326215287 /nfs/dbraw/zinc/21/52/87/326215287.db2.gz BLQKCAJKOSEGKG-JTQLQIEISA-N -1 3 237.299 2.670 20 0 BFADHM C[C@@H]1CC2(CCC2)CN1c1ccncc1C(=O)[O-] ZINC000567984975 326291386 /nfs/dbraw/zinc/29/13/86/326291386.db2.gz FVIVXSQZGNCGKW-SNVBAGLBSA-N -1 3 246.310 2.549 20 0 BFADHM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cccc([O-])c1F ZINC000568838126 326378874 /nfs/dbraw/zinc/37/88/74/326378874.db2.gz STGRFOMENVACPQ-LPEHRKFASA-N -1 3 249.285 2.906 20 0 BFADHM CCCN(C(=O)c1ccccc1[O-])C(C)C ZINC000037096483 488027149 /nfs/dbraw/zinc/02/71/49/488027149.db2.gz RZELAFPFNQEKNA-UHFFFAOYSA-N -1 3 221.300 2.653 20 0 BFADHM [O-]c1ccc(Cl)cc1-c1cncnc1 ZINC000118060499 488041843 /nfs/dbraw/zinc/04/18/43/488041843.db2.gz GVWIMZPTBOGKCK-UHFFFAOYSA-N -1 3 206.632 2.503 20 0 BFADHM Cc1cc(C(=O)Nc2cccc([O-])c2F)c(C)[nH]1 ZINC000677801587 488124860 /nfs/dbraw/zinc/12/48/60/488124860.db2.gz WPDILHNVAXYMMH-UHFFFAOYSA-N -1 3 248.257 2.729 20 0 BFADHM CSc1ccncc1[N-]C(=O)c1ccc(C)o1 ZINC000674255643 487537855 /nfs/dbraw/zinc/53/78/55/487537855.db2.gz DPCVFBMLHOCSMK-UHFFFAOYSA-N -1 3 248.307 2.957 20 0 BFADHM CC(C)N(Cc1ccco1)Cc1ncccc1[O-] ZINC000685409773 487516413 /nfs/dbraw/zinc/51/64/13/487516413.db2.gz FADCTYZFODOPQT-UHFFFAOYSA-N -1 3 246.310 2.791 20 0 BFADHM CCCn1c(=O)[n-]nc1SCCC1CCC1 ZINC000657232318 488107969 /nfs/dbraw/zinc/10/79/69/488107969.db2.gz VDQKVNHCPWXFAI-UHFFFAOYSA-N -1 3 241.360 2.676 20 0 BFADHM CC[C@H](C)CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000227029679 488194561 /nfs/dbraw/zinc/19/45/61/488194561.db2.gz XUMPSFJMSLPQTF-FZMZJTMJSA-N -1 3 247.338 2.717 20 0 BFADHM C[C@@H]1CCC[C@H](C)N1Cc1occc1C(=O)[O-] ZINC000035432986 488236009 /nfs/dbraw/zinc/23/60/09/488236009.db2.gz WXTLNRPPFNSWQP-AOOOYVTPSA-N -1 3 237.299 2.741 20 0 BFADHM CC[C@@H](C)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000035432262 488236281 /nfs/dbraw/zinc/23/62/81/488236281.db2.gz VMEMIKIAUNZQNL-MRVPVSSYSA-N -1 3 225.288 2.517 20 0 BFADHM Cc1oc(CN2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000035432160 488236358 /nfs/dbraw/zinc/23/63/58/488236358.db2.gz LZQKNIFDVWRUAQ-VIFPVBQESA-N -1 3 237.299 2.518 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C)c1[O-] ZINC000678311097 488239740 /nfs/dbraw/zinc/23/97/40/488239740.db2.gz WPLNBFJBINHODO-GXFFZTMASA-N -1 3 247.338 2.873 20 0 BFADHM CCc1cccc(C(=O)N[C@@H]2CCC[C@H]2C)c1[O-] ZINC000678311099 488239891 /nfs/dbraw/zinc/23/98/91/488239891.db2.gz WPLNBFJBINHODO-ZWNOBZJWSA-N -1 3 247.338 2.873 20 0 BFADHM O=C(CCC(F)F)Nc1ccc([O-])cc1F ZINC000684474064 488319042 /nfs/dbraw/zinc/31/90/42/488319042.db2.gz OLWYQVOECQQVNF-UHFFFAOYSA-N -1 3 233.189 2.515 20 0 BFADHM Cc1cc(C(=O)N2CCC3(CC3)CC2)ccc1[O-] ZINC000679409167 488351571 /nfs/dbraw/zinc/35/15/71/488351571.db2.gz LNRSCEUGLSEZAN-UHFFFAOYSA-N -1 3 245.322 2.717 20 0 BFADHM Cc1ccncc1CNCc1ccc([O-])c(F)c1 ZINC000232423624 490158199 /nfs/dbraw/zinc/15/81/99/490158199.db2.gz SNLZKBUNDIAKOA-UHFFFAOYSA-N -1 3 246.285 2.525 20 0 BFADHM COc1ccc([O-])c(-c2nc([C@H]3C[C@H]3C)no2)c1 ZINC000088055512 491094132 /nfs/dbraw/zinc/09/41/32/491094132.db2.gz RHYCLWYLUSYCHE-APPZFPTMSA-N -1 3 246.266 2.574 20 0 BFADHM O=C([N-]c1cc(F)ccc1F)c1nccs1 ZINC000082269455 491141633 /nfs/dbraw/zinc/14/16/33/491141633.db2.gz CBVKQPBCSWFZFZ-UHFFFAOYSA-N -1 3 240.234 2.674 20 0 BFADHM C[C@@H]1C[C@H](C)CN1Cc1c(F)ccc([O-])c1F ZINC000508721426 533806125 /nfs/dbraw/zinc/80/61/25/533806125.db2.gz XJKCXRSGGPUHGE-DTWKUNHWSA-N -1 3 241.281 2.901 20 0 BFADHM CC(C)(C(=O)Nc1ccc([O-])cc1F)C(F)F ZINC000336061824 534375792 /nfs/dbraw/zinc/37/57/92/534375792.db2.gz LMEJHICVCCVXEX-UHFFFAOYSA-N -1 3 247.216 2.761 20 0 BFADHM CCOC([O-])=NOCC/C=C/c1ccccc1 ZINC000496669052 529082728 /nfs/dbraw/zinc/08/27/28/529082728.db2.gz VJDFFJQWHNZRON-UXBLZVDNSA-N -1 3 235.283 2.768 20 0 BFADHM CCOC(=O)[N-]OCC/C=C/c1ccccc1 ZINC000496669052 529082733 /nfs/dbraw/zinc/08/27/33/529082733.db2.gz VJDFFJQWHNZRON-UXBLZVDNSA-N -1 3 235.283 2.768 20 0 BFADHM CC1(CC(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000335897828 535110431 /nfs/dbraw/zinc/11/04/31/535110431.db2.gz QYCSXPIIJQVUTO-UHFFFAOYSA-N -1 3 223.247 2.660 20 0 BFADHM CC[C@H]1CCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000227025724 536069680 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239.340 2.772 20 0 BFADHM CC(C)(C)CCOC(=O)c1cccc2nn[n-]c21 ZINC000800207682 591839265 /nfs/dbraw/zinc/83/92/65/591839265.db2.gz BYZIPPPYIKYHTN-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM CC(C)(C)CCOC(=O)c1cccc2[n-]nnc21 ZINC000800207682 591839266 /nfs/dbraw/zinc/83/92/66/591839266.db2.gz BYZIPPPYIKYHTN-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM CC(C)(C)CCOC(=O)c1cccc2n[n-]nc21 ZINC000800207682 591839270 /nfs/dbraw/zinc/83/92/70/591839270.db2.gz BYZIPPPYIKYHTN-UHFFFAOYSA-N -1 3 247.298 2.551 20 0 BFADHM O=c1[n-]nc(Cl)cc1NC1CCC=CCC1 ZINC000884844651 592025198 /nfs/dbraw/zinc/02/51/98/592025198.db2.gz OQSSKSAKGBWDHE-UHFFFAOYSA-N -1 3 239.706 2.746 20 0 BFADHM Cc1cc(C(=O)NCC(C)(C)C2CC2)ccc1[O-] ZINC000887375464 592497089 /nfs/dbraw/zinc/49/70/89/592497089.db2.gz SJHRRVFIANJPBA-UHFFFAOYSA-N -1 3 247.338 2.867 20 0 BFADHM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H]2CCC[C@@H]21 ZINC000706966219 602207208 /nfs/dbraw/zinc/20/72/08/602207208.db2.gz PADWOTWXELITAU-UTLUCORTSA-N -1 3 235.283 2.523 20 0 BFADHM CC[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000095275587 599350972 /nfs/dbraw/zinc/35/09/72/599350972.db2.gz CHCTXFBSRZZYQF-QMMMGPOBSA-N -1 3 234.328 2.757 20 0 BFADHM CC[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000095275587 599350975 /nfs/dbraw/zinc/35/09/75/599350975.db2.gz CHCTXFBSRZZYQF-QMMMGPOBSA-N -1 3 234.328 2.757 20 0 BFADHM CCN(C/C=C(\C)C(=O)[O-])Cc1cccs1 ZINC000214725359 601049311 /nfs/dbraw/zinc/04/93/11/601049311.db2.gz AFBFPAVGNAUELS-UXBLZVDNSA-N -1 3 239.340 2.601 20 0 BFADHM C/C(=C\CN(C)Cc1ccc(C)s1)C(=O)[O-] ZINC000693980214 601161690 /nfs/dbraw/zinc/16/16/90/601161690.db2.gz OQVHECAXCZJTAZ-RMKNXTFCSA-N -1 3 239.340 2.519 20 0 BFADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)C=CCC1 ZINC000935137679 632462239 /nfs/dbraw/zinc/46/22/39/632462239.db2.gz LQFCDZJGBFHEMR-ZDUSSCGKSA-N -1 3 235.258 2.826 20 0 BFADHM CC1(C(=O)[N-]OC2CCCCC2)CC=CC1 ZINC000935500786 632807951 /nfs/dbraw/zinc/80/79/51/632807951.db2.gz YRHKFWRZLDACNM-UHFFFAOYSA-N -1 3 223.316 2.723 20 0 BFADHM 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ZINC000172206198 641047361 /nfs/dbraw/zinc/04/73/61/641047361.db2.gz ABLAJONSTGPLCG-JTQLQIEISA-N -1 3 201.310 2.661 20 0 BFADHM CC(C)n1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC000232422681 641275391 /nfs/dbraw/zinc/27/53/91/641275391.db2.gz PVKRMDKNHWHIML-UHFFFAOYSA-N -1 3 249.289 2.921 20 0 BFADHM CCC[C@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000041719876 641546601 /nfs/dbraw/zinc/54/66/01/641546601.db2.gz GYPUGRZMTOVHED-ZDUSSCGKSA-N -1 3 244.294 2.900 20 0 BFADHM CCC[C@@H](Nc1ccnc2ccccc21)C(=O)[O-] ZINC000041719880 641546721 /nfs/dbraw/zinc/54/67/21/641546721.db2.gz GYPUGRZMTOVHED-CYBMUJFWSA-N -1 3 244.294 2.900 20 0 BFADHM CCC[C@@H]1C[C@H]1NCc1cc(C(=O)[O-])c(C)o1 ZINC000233307098 642660928 /nfs/dbraw/zinc/66/09/28/642660928.db2.gz LBPKDRBITQZMAU-BXKDBHETSA-N -1 3 237.299 2.564 20 0 BFADHM CC(C)(C)CC(=O)[N-]OCc1ccc(F)cc1 ZINC000184150791 643195206 /nfs/dbraw/zinc/19/52/06/643195206.db2.gz XFLOWCKHWDGZLV-UHFFFAOYSA-N -1 3 239.290 2.810 20 0 BFADHM CC(C)=C[C@@H]1[C@H](C(=O)[N-]OC2CCC2)C1(C)C 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246.314 2.824 20 0 BFADHM CC[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001229952196 977037414 /nfs/dbraw/zinc/03/74/14/977037414.db2.gz ZEBLMMBYVDAXHS-NSHDSACASA-N -1 3 246.314 2.680 20 0 BFADHM CC[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001229952196 977037424 /nfs/dbraw/zinc/03/74/24/977037424.db2.gz ZEBLMMBYVDAXHS-NSHDSACASA-N -1 3 246.314 2.680 20 0 BFADHM CCc1cc(Nc2ccc(C(=O)[O-])s2)ccn1 ZINC001174808499 977106884 /nfs/dbraw/zinc/10/68/84/977106884.db2.gz UUHZQXKHLLVIBB-UHFFFAOYSA-N -1 3 248.307 2.569 20 0 BFADHM O=c1cc(Nc2cccc(O)c2)nc(C2CC2)[n-]1 ZINC001174886785 977114533 /nfs/dbraw/zinc/11/45/33/977114533.db2.gz AMRLCPLXYJAGHJ-UHFFFAOYSA-N -1 3 243.266 2.509 20 0 BFADHM CC(=O)c1ccccc1[N-]c1nc(C)ns1 ZINC001175172407 977324217 /nfs/dbraw/zinc/32/42/17/977324217.db2.gz PAPLMINODZQXRF-UHFFFAOYSA-N -1 3 233.296 2.793 20 0 BFADHM CC(C)Cc1ccc([N-]c2nonc2N)cc1 ZINC001175294710 977353591 /nfs/dbraw/zinc/35/35/91/977353591.db2.gz AYHCGVBEQYVAMW-UHFFFAOYSA-N -1 3 232.287 2.594 20 0 BFADHM 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