smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCCSc1ncc(C(=O)[O-])s1 ZINC000319587411 970550452 /nfs/dbraw/zinc/55/04/52/970550452.db2.gz IZSJDNUIVSUDFN-UHFFFAOYSA-N -1 0 235.355 2.296 20 10 BECDRM COc1ccc(CN2CCCO2)c([O-])c1Cl ZINC001236801405 979736668 /nfs/dbraw/zinc/73/66/68/979736668.db2.gz IVCIKHUZHYWVIT-UHFFFAOYSA-N -1 0 243.690 2.192 20 10 BECDRM O=C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580508 966696567 /nfs/dbraw/zinc/69/65/67/966696567.db2.gz PNTKOAUPWOYNKD-UHFFFAOYSA-N -1 0 246.093 2.084 20 10 BECDRM CC/C=C/NC(=O)c1ccc(O)c(O)c1Cl ZINC001193247265 981277425 /nfs/dbraw/zinc/27/74/25/981277425.db2.gz REXJZFALLMBKKW-ZZXKWVIFSA-N -1 0 241.674 2.405 20 10 BECDRM CCC[C@H](O)CSc1ncc(C(=O)[O-])s1 ZINC001595607485 981603738 /nfs/dbraw/zinc/60/37/38/981603738.db2.gz LGHHFCVSNRUITA-LURJTMIESA-N -1 0 247.341 2.094 20 10 BECDRM O=C([O-])c1cnc(SCC2CC2)s1 ZINC001608978919 1170212114 /nfs/dbraw/zinc/21/21/14/1170212114.db2.gz ZDRVDNARCIFHEM-UHFFFAOYSA-N -1 0 215.299 2.343 20 10 BECDRM CC(=O)c1cc(=O)n(-c2ccc(C(C)C)cc2)[n-]1 ZINC000871948556 583943779 /nfs/dbraw/zinc/94/37/79/583943779.db2.gz TUIYKVXYKBANND-UHFFFAOYSA-N -1 0 244.294 2.492 20 10 BECDRM CCCCOCCNC(=O)C1=CC(=O)CS1 ZINC000732278736 584935550 /nfs/dbraw/zinc/93/55/50/584935550.db2.gz URJLEIWPTYGTHH-UHFFFAOYSA-N -1 0 243.328 2.000 20 10 BECDRM COC1(C)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000813331942 586600293 /nfs/dbraw/zinc/60/02/93/586600293.db2.gz NRWBQANIXIOCSA-UHFFFAOYSA-N -1 0 241.718 2.266 20 10 BECDRM CC[C@@H](Sc1ncc(C)s1)C(=O)[O-] ZINC000844206514 588173727 /nfs/dbraw/zinc/17/37/27/588173727.db2.gz FFPCNFAPJDVDKV-ZCFIWIBFSA-N -1 0 217.315 2.407 20 10 BECDRM Cc1cccc(O)c1CNCC(F)F ZINC000877516470 590345996 /nfs/dbraw/zinc/34/59/96/590345996.db2.gz AKLYWAGAXQWQMO-UHFFFAOYSA-N -1 0 201.216 2.055 20 10 BECDRM C[C@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000132604976 591725157 /nfs/dbraw/zinc/72/51/57/591725157.db2.gz ZXYRHLGOQUGGMH-VIFPVBQESA-N -1 0 241.718 2.266 20 10 BECDRM O=C([O-])CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000165152213 598193008 /nfs/dbraw/zinc/19/30/08/598193008.db2.gz BGMWBFPPCNAWHW-UHFFFAOYSA-N -1 0 243.690 2.000 20 10 BECDRM O=C([O-])c1cnoc1CSc1nccs1 ZINC000379819575 971660656 /nfs/dbraw/zinc/66/06/56/971660656.db2.gz SCTCKGZVJUOCSQ-UHFFFAOYSA-N -1 0 242.281 2.122 20 10 BECDRM C[C@H](CC(=O)[O-])Sc1ncc([N+](=O)[O-])s1 ZINC000226766266 959900957 /nfs/dbraw/zinc/90/09/57/959900957.db2.gz CWNBXXFIBAYFQZ-SCSAIBSYSA-N -1 0 248.285 2.007 20 10 BECDRM CN(Cc1c([O-])cc(F)cc1F)CC(F)F ZINC001140585130 960443691 /nfs/dbraw/zinc/44/36/91/960443691.db2.gz UEHMXNNRDNUIKV-UHFFFAOYSA-N -1 0 237.196 2.367 20 10 BECDRM CC[C@H](Sc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226766485 965244600 /nfs/dbraw/zinc/24/46/00/965244600.db2.gz QOHPLFGPSIPGKR-BYPYZUCNSA-N -1 0 248.285 2.007 20 10 BECDRM CC[C@H](C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193624952 981389469 /nfs/dbraw/zinc/38/94/69/981389469.db2.gz AZRHXDACBGGJFY-LURJTMIESA-N -1 0 243.690 2.280 20 10 BECDRM CCn1ccc(CNCc2c(O)cccc2F)n1 ZINC001474716072 987808934 /nfs/dbraw/zinc/80/89/34/987808934.db2.gz BGCABNIWBRLJHD-UHFFFAOYSA-N -1 0 249.289 2.038 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CCSCC1 ZINC001139681854 991309794 /nfs/dbraw/zinc/30/97/94/991309794.db2.gz ZWVJRLKGQSIBON-UHFFFAOYSA-N -1 0 245.294 2.219 20 10 BECDRM Cc1ccc(C(=O)N(C)CCC2CC2)c(O)c1O ZINC000182857570 178376246 /nfs/dbraw/zinc/37/62/46/178376246.db2.gz ZJCNPSUJVBNPTN-UHFFFAOYSA-N -1 0 249.310 2.278 20 10 BECDRM [O-]c1c(Cl)cccc1C[N@@H+]1CCCOCC1 ZINC000162814211 350438647 /nfs/dbraw/zinc/43/86/47/350438647.db2.gz BDUBZRXYRWVUHN-UHFFFAOYSA-N -1 0 241.718 2.268 20 10 BECDRM Cc1ccc(C(=O)NCCC(C)C)c(O)c1O ZINC000177660726 385272005 /nfs/dbraw/zinc/27/20/05/385272005.db2.gz ABIMGSGLBRMKMA-UHFFFAOYSA-N -1 0 237.299 2.182 20 10 BECDRM Cc1nocc1C[N@@H+](C)Cc1ccccc1O ZINC000295214089 385992588 /nfs/dbraw/zinc/99/25/88/385992588.db2.gz AWZFLSMVGKRNMD-UHFFFAOYSA-N -1 0 232.283 2.321 20 10 BECDRM CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000143248880 583854148 /nfs/dbraw/zinc/85/41/48/583854148.db2.gz YEEBFALUOYIJGP-UHFFFAOYSA-N -1 0 234.082 2.335 20 10 BECDRM COc1ccc(N(CC(=O)[O-])C(C)C)cc1F ZINC000738017820 584032591 /nfs/dbraw/zinc/03/25/91/584032591.db2.gz OOMLMJXDADUUGQ-UHFFFAOYSA-N -1 0 241.262 2.134 20 10 BECDRM Cc1cnc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC000732202996 584934798 /nfs/dbraw/zinc/93/47/98/584934798.db2.gz KSRVISRUFQSNTQ-UHFFFAOYSA-N -1 0 243.310 2.123 20 10 BECDRM COc1ccc2c(c1)CCCN2CCCC(=O)[O-] ZINC000738110626 585041001 /nfs/dbraw/zinc/04/10/01/585041001.db2.gz NRDZUPWYMCRWRW-UHFFFAOYSA-N -1 0 249.310 2.313 20 10 BECDRM COC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000839130443 585093709 /nfs/dbraw/zinc/09/37/09/585093709.db2.gz CXXCHBFYXVIRGE-UHFFFAOYSA-N -1 0 245.681 2.015 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CC(F)C1 ZINC000753577420 585262542 /nfs/dbraw/zinc/26/25/42/585262542.db2.gz VZBHQGXXDCJDCW-UHFFFAOYSA-N -1 0 215.655 2.199 20 10 BECDRM CC1(NC(=O)C2=CC(=O)CS2)CCC1 ZINC000765211359 585482733 /nfs/dbraw/zinc/48/27/33/585482733.db2.gz UMOWFAYXTHTRNZ-UHFFFAOYSA-N -1 0 211.286 2.126 20 10 BECDRM Cc1ccnc(NC(=O)c2cccc(O)c2O)c1 ZINC000126235397 590255752 /nfs/dbraw/zinc/25/57/52/590255752.db2.gz DFGZLHYWOAEXDN-UHFFFAOYSA-N -1 0 244.250 2.054 20 10 BECDRM CN(Cc1cc(F)cc(F)c1[O-])CC(F)F ZINC000708402122 1166401718 /nfs/dbraw/zinc/40/17/18/1166401718.db2.gz UZEQVCKHQKHQJM-UHFFFAOYSA-N -1 0 237.196 2.367 20 10 BECDRM C[C@H]([NH2+]CCCC(=O)[O-])c1c([O-])cccc1F ZINC001589128110 982628151 /nfs/dbraw/zinc/62/81/51/982628151.db2.gz KIGWHNCNRDUGDH-QMMMGPOBSA-N -1 0 241.262 2.047 20 10 BECDRM CC(C)Nc1ccccc1NCC(=O)[O-] ZINC001591672511 983080084 /nfs/dbraw/zinc/08/00/84/983080084.db2.gz VYVVUVSZDXZUMS-UHFFFAOYSA-N -1 0 208.261 2.003 20 10 BECDRM O=c1cc(-c2nnc(C3CCCC3)o2)cc([O-])[nH]1 ZINC001257500256 971417000 /nfs/dbraw/zinc/41/70/00/971417000.db2.gz YUZJRFYJUKDZOX-UHFFFAOYSA-N -1 0 247.254 2.200 20 10 BECDRM CN(CCF)Cc1c([O-])cc(F)cc1F ZINC001140584994 959032204 /nfs/dbraw/zinc/03/22/04/959032204.db2.gz OAFDJVQFTJOMIF-UHFFFAOYSA-N -1 0 219.206 2.072 20 10 BECDRM C[C@@H](CC(=O)[O-])Sc1ncc([N+](=O)[O-])s1 ZINC000226766260 959901770 /nfs/dbraw/zinc/90/17/70/959901770.db2.gz CWNBXXFIBAYFQZ-BYPYZUCNSA-N -1 0 248.285 2.007 20 10 BECDRM Nc1ccc(Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001210176209 969821443 /nfs/dbraw/zinc/82/14/43/969821443.db2.gz SHCXKUOIHKDAOH-UHFFFAOYSA-N -1 0 229.239 2.106 20 10 BECDRM CCCCCc1nnc(-c2cc([O-])[nH]c(=O)c2)o1 ZINC001256068221 970636517 /nfs/dbraw/zinc/63/65/17/970636517.db2.gz MRMYIRRPFJQZBX-UHFFFAOYSA-N -1 0 249.270 2.276 20 10 BECDRM Cc1cccc(O)c1C[NH2+]CCCCC(=O)[O-] ZINC001605345010 979855255 /nfs/dbraw/zinc/85/52/55/979855255.db2.gz MSPGWYIAXMVCPS-UHFFFAOYSA-N -1 0 237.299 2.045 20 10 BECDRM [O-]c1c(CN2CC(F)(F)C2)ccc(F)c1F ZINC001184418578 980079885 /nfs/dbraw/zinc/07/98/85/980079885.db2.gz PYUAJKLUUSHJHY-UHFFFAOYSA-N -1 0 235.180 2.121 20 10 BECDRM CCCOCSc1ncc(C(=O)[O-])s1 ZINC001595946611 983110525 /nfs/dbraw/zinc/11/05/25/983110525.db2.gz STFBFEPSDVMOKC-UHFFFAOYSA-N -1 0 233.314 2.318 20 10 BECDRM CC(C)(O)CCSc1ncc(C(=O)[O-])s1 ZINC001590898728 990847860 /nfs/dbraw/zinc/84/78/60/990847860.db2.gz RYNFAUHEDUJWIV-UHFFFAOYSA-N -1 0 247.341 2.094 20 10 BECDRM O=C([O-])c1cc(CSc2nccs2)on1 ZINC000042416864 182554674 /nfs/dbraw/zinc/55/46/74/182554674.db2.gz HANXINBFQISWLQ-UHFFFAOYSA-N -1 0 242.281 2.122 20 10 BECDRM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000864493074 584011021 /nfs/dbraw/zinc/01/10/21/584011021.db2.gz VJDFSFCRJIBOBL-ZCFIWIBFSA-N -1 0 233.189 2.132 20 10 BECDRM COC1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839131557 585093705 /nfs/dbraw/zinc/09/37/05/585093705.db2.gz VZALRNLFJBABFK-UHFFFAOYSA-N -1 0 245.681 2.015 20 10 BECDRM [O-]c1c(Cl)cccc1CNC(CF)CF ZINC000824554259 587276021 /nfs/dbraw/zinc/27/60/21/587276021.db2.gz DFHANRPEJZPJSH-UHFFFAOYSA-N -1 0 235.661 2.443 20 10 BECDRM Cc1ccc(CNCC(F)F)c(O)c1 ZINC000877518944 590345313 /nfs/dbraw/zinc/34/53/13/590345313.db2.gz VMNCLMSBSNDROP-UHFFFAOYSA-N -1 0 201.216 2.055 20 10 BECDRM COc1ccc(N(C)CCCCC(=O)[O-])cc1 ZINC000049970433 643626816 /nfs/dbraw/zinc/62/68/16/643626816.db2.gz FTDMCGUTBAJOCR-UHFFFAOYSA-N -1 0 237.299 2.386 20 10 BECDRM C[C@H](NCc1ccc(F)c(F)c1[O-])C(F)F ZINC000703255185 712070086 /nfs/dbraw/zinc/07/00/86/712070086.db2.gz FZXHEXUJLAFYIV-YFKPBYRVSA-N -1 0 237.196 2.414 20 10 BECDRM [O-]c1c(CN2CC[C@@H](F)C2)ccc(F)c1F ZINC000703448654 712076013 /nfs/dbraw/zinc/07/60/13/712076013.db2.gz UNCXIHREAUICPM-MRVPVSSYSA-N -1 0 231.217 2.214 20 10 BECDRM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](F)C1 ZINC000708382825 712191833 /nfs/dbraw/zinc/19/18/33/712191833.db2.gz IKILBALQZCIBSU-MRVPVSSYSA-N -1 0 231.217 2.214 20 10 BECDRM C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@@H]1F ZINC001139685759 961246005 /nfs/dbraw/zinc/24/60/05/961246005.db2.gz WBXXNIOGUBMITQ-HQJQHLMTSA-N -1 0 245.244 2.460 20 10 BECDRM Nc1ccc(-n2cc(C3=CC=C[CH]3)nn2)cc1 ZINC001254080393 969483988 /nfs/dbraw/zinc/48/39/88/969483988.db2.gz FTEARMUGKXJRIW-UHFFFAOYSA-N -1 0 223.259 2.007 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CCC12COC2 ZINC001231911628 977800344 /nfs/dbraw/zinc/80/03/44/977800344.db2.gz JHAUUWLZERHYHN-UHFFFAOYSA-N -1 0 239.702 2.020 20 10 BECDRM CC1(F)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233076196 978465926 /nfs/dbraw/zinc/46/59/26/978465926.db2.gz KSYCWFKKCZBWTN-UHFFFAOYSA-N -1 0 231.217 2.214 20 10 BECDRM O=C([O-])c1cnc(S[C@H]2CCCOC2)s1 ZINC001602537559 979125285 /nfs/dbraw/zinc/12/52/85/979125285.db2.gz VHDYYWBMSRDPQY-LURJTMIESA-N -1 0 245.325 2.112 20 10 BECDRM C[C@H]([NH2+]Cc1ccc2ccccc2c1O)C(=O)[O-] ZINC001599901666 984843527 /nfs/dbraw/zinc/84/35/27/984843527.db2.gz VAQUUCKRBRUIJY-VIFPVBQESA-N -1 0 245.278 2.108 20 10 BECDRM CCO[C@@H](C)Sc1ncc(C(=O)[O-])s1 ZINC001596772009 985192756 /nfs/dbraw/zinc/19/27/56/985192756.db2.gz FLSVJFGRLSVGDI-RXMQYKEDSA-N -1 0 233.314 2.316 20 10 BECDRM Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)[O-])c(O)c1 ZINC001594362492 987839852 /nfs/dbraw/zinc/83/98/52/987839852.db2.gz ICIUOFOLXUKHAK-NEPJUHHUSA-N -1 0 249.310 2.044 20 10 BECDRM O=C([O-])c1cnc(SCc2ccno2)s1 ZINC001608979205 1170212623 /nfs/dbraw/zinc/21/26/23/1170212623.db2.gz OQBWPZGKGOWSHR-UHFFFAOYSA-N -1 0 242.281 2.122 20 10 BECDRM Cc1cc(Cl)cc(CN2CCOCC2)c1O ZINC000183370220 178063639 /nfs/dbraw/zinc/06/36/39/178063639.db2.gz CGOZQQATZXGVLI-UHFFFAOYSA-N -1 0 241.718 2.186 20 10 BECDRM COc1ccc(N(CC(=O)[O-])[C@H](C)C2CC2)cc1 ZINC000237247295 135070364 /nfs/dbraw/zinc/07/03/64/135070364.db2.gz BSXLQSRSQUWCIH-SNVBAGLBSA-N -1 0 249.310 2.385 20 10 BECDRM COc1ccc(N(C)CCCC(=O)[O-])cc1F ZINC000131425791 175136446 /nfs/dbraw/zinc/13/64/46/175136446.db2.gz ZTQOMPLOGTZHPR-UHFFFAOYSA-N -1 0 241.262 2.135 20 10 BECDRM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2C)c(O)c1O ZINC000780948830 585786978 /nfs/dbraw/zinc/78/69/78/585786978.db2.gz HPPWRKPNOFJUGI-SCZZXKLOSA-N -1 0 249.310 2.277 20 10 BECDRM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)c(O)c1O ZINC000780948832 585786987 /nfs/dbraw/zinc/78/69/87/585786987.db2.gz HPPWRKPNOFJUGI-WCBMZHEXSA-N -1 0 249.310 2.277 20 10 BECDRM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)c(O)c1O ZINC000780948833 585787160 /nfs/dbraw/zinc/78/71/60/585787160.db2.gz HPPWRKPNOFJUGI-WPRPVWTQSA-N -1 0 249.310 2.277 20 10 BECDRM CCCCN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000846279569 588263731 /nfs/dbraw/zinc/26/37/31/588263731.db2.gz GJPXBIWLULZBQG-UHFFFAOYSA-N -1 0 237.299 2.386 20 10 BECDRM C[C@@H]1C[C@H]1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000863466775 589290636 /nfs/dbraw/zinc/29/06/36/589290636.db2.gz BSVJUWXHSIMXIM-MNOVXSKESA-N -1 0 249.310 2.242 20 10 BECDRM C/C(=C/CSc1nccs1)C(=O)[O-] ZINC000214633144 601099160 /nfs/dbraw/zinc/09/91/60/601099160.db2.gz ZIAPUCSEPKKAAK-KXFIGUGUSA-N -1 0 215.299 2.266 20 10 BECDRM O=C([O-])NCc1ccc(N2CCCC2)cc1 ZINC000740673351 602666789 /nfs/dbraw/zinc/66/67/89/602666789.db2.gz LRCOSLMODFSKKV-UHFFFAOYSA-N -1 0 220.272 2.054 20 10 BECDRM CCN(CC)c1ccc(CNC(=O)[O-])cc1 ZINC000739415762 602667874 /nfs/dbraw/zinc/66/78/74/602667874.db2.gz ZWRCVSWJHZYYAJ-UHFFFAOYSA-N -1 0 222.288 2.300 20 10 BECDRM CC(F)(F)CNCc1ccc(F)c(F)c1[O-] ZINC000703330086 712070498 /nfs/dbraw/zinc/07/04/98/712070498.db2.gz VIEQTMLIBKKHTN-UHFFFAOYSA-N -1 0 237.196 2.415 20 10 BECDRM [O-]c1c(CNCC(F)F)ccc(F)c1F ZINC000703259941 967847161 /nfs/dbraw/zinc/84/71/61/967847161.db2.gz KOTOPFJJUXLNOM-UHFFFAOYSA-N -1 0 223.169 2.025 20 10 BECDRM O=C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231909360 977794121 /nfs/dbraw/zinc/79/41/21/977794121.db2.gz BAYITLDHLKYEOK-UHFFFAOYSA-N -1 0 239.702 2.211 20 10 BECDRM O=C([O-])c1cnc(SCCCF)s1 ZINC001602536963 979124521 /nfs/dbraw/zinc/12/45/21/979124521.db2.gz IUAYEHFQEBYXFG-UHFFFAOYSA-N -1 0 221.278 2.293 20 10 BECDRM [O-]c1c(Cl)cc(F)cc1CN1CCCO1 ZINC001237804393 980054414 /nfs/dbraw/zinc/05/44/14/980054414.db2.gz CTIAYIDYLYRSCI-UHFFFAOYSA-N -1 0 231.654 2.322 20 10 BECDRM CC(C)(CCNc1ccc(N)cc1)C(=O)[O-] ZINC001590693261 990406704 /nfs/dbraw/zinc/40/67/04/990406704.db2.gz BXOKMRURXKVMES-UHFFFAOYSA-N -1 0 222.288 2.182 20 10 BECDRM CC1(F)CN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684106 991311691 /nfs/dbraw/zinc/31/16/91/991311691.db2.gz HFNRZYYIAIZEFZ-UHFFFAOYSA-N -1 0 231.217 2.214 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1C[C@@H](F)[C@H](F)C1 ZINC001139684659 991314090 /nfs/dbraw/zinc/31/40/90/991314090.db2.gz KFCWEMMBUKYMIP-NXEZZACHSA-N -1 0 249.207 2.162 20 10 BECDRM [O-]c1cc(F)c(Cl)cc1CN1CCOCC1 ZINC000295033415 183258988 /nfs/dbraw/zinc/25/89/88/183258988.db2.gz XUGBYWMTJVLFFL-UHFFFAOYSA-N -1 0 245.681 2.017 20 10 BECDRM Cc1ccc(C(=O)NCCC2(C)CC2)c(O)c1O ZINC000279608022 386707778 /nfs/dbraw/zinc/70/77/78/386707778.db2.gz BQAULFMBQYRGIE-UHFFFAOYSA-N -1 0 249.310 2.326 20 10 BECDRM CCn1ccnc1C[NH2+][C@H](C)c1ccccc1O ZINC000271646750 172224057 /nfs/dbraw/zinc/22/40/57/172224057.db2.gz IEYFUZBFKVKATJ-LLVKDONJSA-N -1 0 245.326 2.459 20 10 BECDRM COc1ccc(N(CC(=O)[O-])CC(C)C)cc1 ZINC000076619925 175137614 /nfs/dbraw/zinc/13/76/14/175137614.db2.gz YINJWOICJQOPJM-UHFFFAOYSA-N -1 0 237.299 2.242 20 10 BECDRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1O ZINC000864493073 584010984 /nfs/dbraw/zinc/01/09/84/584010984.db2.gz VJDFSFCRJIBOBL-LURJTMIESA-N -1 0 233.189 2.132 20 10 BECDRM CCN(C(=O)c1ccc(C)c(O)c1O)C1CCC1 ZINC000780947711 585786992 /nfs/dbraw/zinc/78/69/92/585786992.db2.gz NKYUMGHKUICFNA-UHFFFAOYSA-N -1 0 249.310 2.421 20 10 BECDRM CCC(F)(F)CNC(=O)C1=CC(=O)CS1 ZINC000862899337 589246286 /nfs/dbraw/zinc/24/62/86/589246286.db2.gz HHFKWUITZQCXIO-UHFFFAOYSA-N -1 0 235.255 2.229 20 10 BECDRM Cc1ccc(CNCC(C)(F)F)c(O)c1 ZINC000877552378 590355670 /nfs/dbraw/zinc/35/56/70/590355670.db2.gz SCTFFJSHDDRHPI-UHFFFAOYSA-N -1 0 215.243 2.445 20 10 BECDRM [O-]c1cc(F)c(Cl)cc1CN1CC(F)C1 ZINC000816567603 644962965 /nfs/dbraw/zinc/96/29/65/644962965.db2.gz GZONXQPWXWROIT-UHFFFAOYSA-N -1 0 233.645 2.338 20 10 BECDRM CN(Cc1ccc(F)c(F)c1[O-])CC(F)F ZINC000703459524 712076035 /nfs/dbraw/zinc/07/60/35/712076035.db2.gz OUXRKXPKZAFVTE-UHFFFAOYSA-N -1 0 237.196 2.367 20 10 BECDRM O=C([O-])[C@H](Sc1nccs1)C1CC1 ZINC000084091079 957853446 /nfs/dbraw/zinc/85/34/46/957853446.db2.gz QQBNCZVZTAARPU-ZCFIWIBFSA-N -1 0 215.299 2.098 20 10 BECDRM COc1ccc(N(C)CC2(CC(=O)[O-])CC2)cc1 ZINC000088256048 965450214 /nfs/dbraw/zinc/45/02/14/965450214.db2.gz VPOHGHHPXCSRMH-UHFFFAOYSA-N -1 0 249.310 2.386 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CC2(CCO2)C1 ZINC001231912602 977797536 /nfs/dbraw/zinc/79/75/36/977797536.db2.gz QKRYOODCXWYPBF-UHFFFAOYSA-N -1 0 239.702 2.020 20 10 BECDRM [O-]c1c(Cl)cccc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001231912330 977799101 /nfs/dbraw/zinc/79/91/01/977799101.db2.gz DSHQDWHYBLHKRD-AOOOYVTPSA-N -1 0 239.702 2.019 20 10 BECDRM [O-]c1c(Cl)cc(F)cc1CN1CC(F)C1 ZINC001237804358 980052709 /nfs/dbraw/zinc/05/27/09/980052709.db2.gz CKAOHWIRTIPHOL-UHFFFAOYSA-N -1 0 233.645 2.338 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001139684655 991310796 /nfs/dbraw/zinc/31/07/96/991310796.db2.gz KFCWEMMBUKYMIP-AOOOYVTPSA-N -1 0 249.207 2.162 20 10 BECDRM Oc1ccc(Br)cc1CN1CCC1 ZINC000307701913 353004460 /nfs/dbraw/zinc/00/44/60/353004460.db2.gz SUXVTNLZAYYJDH-UHFFFAOYSA-N -1 0 242.116 2.360 20 10 BECDRM CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000234901016 386114848 /nfs/dbraw/zinc/11/48/48/386114848.db2.gz UDBCZDMUHGKUKG-JTQLQIEISA-N -1 0 241.718 2.266 20 10 BECDRM Cc1cccc(O)c1CNC(CF)CF ZINC000877555893 583327692 /nfs/dbraw/zinc/32/76/92/583327692.db2.gz GGZILPDMNSTQFJ-UHFFFAOYSA-N -1 0 215.243 2.098 20 10 BECDRM Cc1ncc(C[N@@H+](C)Cc2ccccc2O)cn1 ZINC000732202843 584934543 /nfs/dbraw/zinc/93/45/43/584934543.db2.gz GUICXRBYWCHMHO-UHFFFAOYSA-N -1 0 243.310 2.123 20 10 BECDRM O=C(Nc1cc(C2CC2)[nH]n1)C1=CC(=O)CS1 ZINC000732277360 584935604 /nfs/dbraw/zinc/93/56/04/584935604.db2.gz HMXNLNMLOXNROV-UHFFFAOYSA-N -1 0 249.295 2.307 20 10 BECDRM CC(F)(F)CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000815147595 586670101 /nfs/dbraw/zinc/67/01/01/586670101.db2.gz ZVXHTGYEJJBWEZ-UHFFFAOYSA-N -1 0 246.213 2.045 20 10 BECDRM CC[C@H](Sc1ncc(C)s1)C(=O)[O-] ZINC000844206513 588173773 /nfs/dbraw/zinc/17/37/73/588173773.db2.gz FFPCNFAPJDVDKV-LURJTMIESA-N -1 0 217.315 2.407 20 10 BECDRM CSc1ccc(-n2[n-]c(C(C)=O)cc2=O)cc1 ZINC000871947493 589838811 /nfs/dbraw/zinc/83/88/11/589838811.db2.gz BNYUAJYPRLIXGJ-UHFFFAOYSA-N -1 0 248.307 2.090 20 10 BECDRM COc1ccc(N(C)C/C=C(\C)C(=O)[O-])cc1 ZINC000214557510 591609905 /nfs/dbraw/zinc/60/99/05/591609905.db2.gz XKMZVDMHWXCHDR-CSKARUKUSA-N -1 0 235.283 2.162 20 10 BECDRM CC(C)c1cnc(SCC(=O)[O-])s1 ZINC000132407239 591706311 /nfs/dbraw/zinc/70/63/11/591706311.db2.gz JQRCKPQKYJJZCT-UHFFFAOYSA-N -1 0 217.315 2.443 20 10 BECDRM O=C([O-])CCCCSc1nccs1 ZINC000040676336 597752840 /nfs/dbraw/zinc/75/28/40/597752840.db2.gz HOAVZHRRUUNKMQ-UHFFFAOYSA-N -1 0 217.315 2.490 20 10 BECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000739440029 602664859 /nfs/dbraw/zinc/66/48/59/602664859.db2.gz SXXMBXPMOXFMAG-UHFFFAOYSA-N -1 0 222.288 2.253 20 10 BECDRM C[C@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142509092 964347069 /nfs/dbraw/zinc/34/70/69/964347069.db2.gz WMRLRSUQDCAOSG-ZETCQYMHSA-N -1 0 213.227 2.265 20 10 BECDRM CN(c1ccc(N)cc1)c1ccc(C(=O)[O-])nc1 ZINC001210175897 969821354 /nfs/dbraw/zinc/82/13/54/969821354.db2.gz AUVGGFHRKVHGFC-UHFFFAOYSA-N -1 0 243.266 2.130 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CCCO1 ZINC001231909233 977789542 /nfs/dbraw/zinc/78/95/42/977789542.db2.gz CVMSBTDDXLLGIA-UHFFFAOYSA-N -1 0 213.664 2.183 20 10 BECDRM [O-]c1c(CN2CCCCO2)ccc(F)c1F ZINC001233073694 978460438 /nfs/dbraw/zinc/46/04/38/978460438.db2.gz CCZCSKKTWAPWOS-UHFFFAOYSA-N -1 0 229.226 2.198 20 10 BECDRM C[C@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001603134457 979387907 /nfs/dbraw/zinc/38/79/07/979387907.db2.gz RVJXDDPIGHJUAQ-SFYZADRCSA-N -1 0 241.262 2.045 20 10 BECDRM [O-]c1c(F)cc(Cl)cc1CN1CCCO1 ZINC001237615861 979978318 /nfs/dbraw/zinc/97/83/18/979978318.db2.gz ABIXBZMRKXGKDA-UHFFFAOYSA-N -1 0 231.654 2.322 20 10 BECDRM [O-]c1c(F)cc(F)cc1CN1CC(F)(F)C1 ZINC001474759225 987819428 /nfs/dbraw/zinc/81/94/28/987819428.db2.gz FRKIBELCPDMZJR-UHFFFAOYSA-N -1 0 235.180 2.121 20 10 BECDRM CC(C)CCc1nnc(-c2cc([O-])[nH]c(=O)c2)o1 ZINC001258263993 991194961 /nfs/dbraw/zinc/19/49/61/991194961.db2.gz GLCGAJZCQURLEW-UHFFFAOYSA-N -1 0 249.270 2.131 20 10 BECDRM CCC[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000128034418 169165657 /nfs/dbraw/zinc/16/56/57/169165657.db2.gz GYPFZDPRTMMOOF-UHFFFAOYSA-N -1 0 243.734 2.250 20 10 BECDRM COC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839130355 585093639 /nfs/dbraw/zinc/09/36/39/585093639.db2.gz BXLDFPZAIXWTPZ-UHFFFAOYSA-N -1 0 245.681 2.015 20 10 BECDRM C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccn(C)n1 ZINC000839191442 585097321 /nfs/dbraw/zinc/09/73/21/585097321.db2.gz PPJOULUYKLQMIO-VIFPVBQESA-N -1 0 249.289 2.116 20 10 BECDRM Cc1nc(NC(=O)C2=CC(=O)CS2)cs1 ZINC000765140065 585481803 /nfs/dbraw/zinc/48/18/03/585481803.db2.gz ULNLZEWHXFNWHG-UHFFFAOYSA-N -1 0 240.309 2.471 20 10 BECDRM [O-]c1c(F)cc(Cl)cc1CN1CCOCC1 ZINC000775634656 585681846 /nfs/dbraw/zinc/68/18/46/585681846.db2.gz TUDHFBAXLQVUOQ-UHFFFAOYSA-N -1 0 245.681 2.017 20 10 BECDRM CC(C)CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000833485454 587717026 /nfs/dbraw/zinc/71/70/26/587717026.db2.gz TUZUMBDXAURGKP-UHFFFAOYSA-N -1 0 237.299 2.242 20 10 BECDRM CN(CCC1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279642 588263704 /nfs/dbraw/zinc/26/37/04/588263704.db2.gz ITXZNNCQBLMIOI-UHFFFAOYSA-N -1 0 249.310 2.386 20 10 BECDRM C[C@H]1C[C@@H]1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000863466777 589290975 /nfs/dbraw/zinc/29/09/75/589290975.db2.gz BSVJUWXHSIMXIM-WDEREUQCSA-N -1 0 249.310 2.242 20 10 BECDRM [O-]c1c(F)cc(F)cc1CNC(CF)CF ZINC000883132534 591547381 /nfs/dbraw/zinc/54/73/81/591547381.db2.gz USFZTZKWLQUHSN-UHFFFAOYSA-N -1 0 237.196 2.068 20 10 BECDRM O=C([O-])CCSc1ncc(Cl)s1 ZINC001595063992 977940988 /nfs/dbraw/zinc/94/09/88/977940988.db2.gz PFUIQHBJOHNKKF-UHFFFAOYSA-N -1 0 223.706 2.363 20 10 BECDRM C[C@H](Sc1ncc(Cl)s1)C(=O)[O-] ZINC001603284282 979429547 /nfs/dbraw/zinc/42/95/47/979429547.db2.gz HNTCKOWTSOJOMV-VKHMYHEASA-N -1 0 223.706 2.362 20 10 BECDRM CN(Cc1cc(F)cc(Cl)c1[O-])C1COC1 ZINC001237800070 980048682 /nfs/dbraw/zinc/04/86/82/980048682.db2.gz WLNQPOTUESNFBV-UHFFFAOYSA-N -1 0 245.681 2.015 20 10 BECDRM CCN(CC)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589993 981377692 /nfs/dbraw/zinc/37/76/92/981377692.db2.gz TZVXLUQZYKHOHH-UHFFFAOYSA-N -1 0 243.690 2.233 20 10 BECDRM CCC[C@@H](O)CSc1ncc(C(=O)[O-])s1 ZINC001595607488 981603709 /nfs/dbraw/zinc/60/37/09/981603709.db2.gz LGHHFCVSNRUITA-ZCFIWIBFSA-N -1 0 247.341 2.094 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CC(F)(F)C1 ZINC001139685879 991317253 /nfs/dbraw/zinc/31/72/53/991317253.db2.gz ZSWZGSBGSPSYAT-UHFFFAOYSA-N -1 0 235.180 2.121 20 10 BECDRM CN(CCF)Cc1c(F)ccc(F)c1[O-] ZINC001139690132 991317426 /nfs/dbraw/zinc/31/74/26/991317426.db2.gz QBYLJNTWGOBLJX-UHFFFAOYSA-N -1 0 219.206 2.072 20 10 BECDRM CC(C)COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001591401636 992474990 /nfs/dbraw/zinc/47/49/90/992474990.db2.gz QKNBOUNPFSBJJE-UHFFFAOYSA-N -1 0 237.299 2.486 20 10 BECDRM Cc1[nH]nc(NC(=O)C2=CC(=O)CS2)c1C ZINC000732278853 584935561 /nfs/dbraw/zinc/93/55/61/584935561.db2.gz GCNVRWSKPOIEOB-UHFFFAOYSA-N -1 0 237.284 2.046 20 10 BECDRM CCOC1CN(Cc2cc(Cl)ccc2O)C1 ZINC000839131925 585094001 /nfs/dbraw/zinc/09/40/01/585094001.db2.gz HUXRGQPVXDONET-UHFFFAOYSA-N -1 0 241.718 2.266 20 10 BECDRM CSC1(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000791004042 585971892 /nfs/dbraw/zinc/97/18/92/585971892.db2.gz LSNPZLUCIVAGCK-UHFFFAOYSA-N -1 0 243.353 2.079 20 10 BECDRM CCN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739455181 602649751 /nfs/dbraw/zinc/64/97/51/602649751.db2.gz ONMIVQPWTQPMMF-UHFFFAOYSA-N -1 0 234.299 2.227 20 10 BECDRM [O-]c1ccc(Cl)c(F)c1CN1CC(F)C1 ZINC000792173827 644793918 /nfs/dbraw/zinc/79/39/18/644793918.db2.gz KJKTXMJTIQZBNM-UHFFFAOYSA-N -1 0 233.645 2.338 20 10 BECDRM C[C@@H](NCc1ccc(F)c(F)c1[O-])C(F)F ZINC000703255182 712070198 /nfs/dbraw/zinc/07/01/98/712070198.db2.gz FZXHEXUJLAFYIV-RXMQYKEDSA-N -1 0 237.196 2.414 20 10 BECDRM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(F)F ZINC000708515910 712212057 /nfs/dbraw/zinc/21/20/57/712212057.db2.gz AGXPURUVRKJYPE-RXMQYKEDSA-N -1 0 237.196 2.414 20 10 BECDRM [O-]c1c(CN2C[C@@H](F)[C@@H](F)C2)ccc(F)c1F ZINC000714557974 964099645 /nfs/dbraw/zinc/09/96/45/964099645.db2.gz JSUAGDCMLVOZGE-DTORHVGOSA-N -1 0 249.207 2.162 20 10 BECDRM CC(=O)CN(C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807464 980057116 /nfs/dbraw/zinc/05/71/16/980057116.db2.gz JMTZFEXUTMUGCL-UHFFFAOYSA-N -1 0 245.681 2.206 20 10 BECDRM [O-]c1c(Cl)cc(F)cc1C[NH+]1CCC1 ZINC001237810121 980060031 /nfs/dbraw/zinc/06/00/31/980060031.db2.gz OVKCYKYJLVAWIZ-UHFFFAOYSA-N -1 0 215.655 2.390 20 10 BECDRM Cc1ccc(C[NH2+]CCCCC(=O)[O-])c(O)c1 ZINC001594362564 987838349 /nfs/dbraw/zinc/83/83/49/987838349.db2.gz OPZDGBQOMMXPRP-UHFFFAOYSA-N -1 0 237.299 2.045 20 10 BECDRM CN(CC(=O)[O-])c1ccc(-c2nccs2)cc1 ZINC001598418249 991748420 /nfs/dbraw/zinc/74/84/20/991748420.db2.gz ZZWUHUVQVHFISW-UHFFFAOYSA-N -1 0 248.307 2.331 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CCO[C@H]2C[C@H]21 ZINC000366563166 385637880 /nfs/dbraw/zinc/63/78/80/385637880.db2.gz XONASYUDGSNPJM-MNOVXSKESA-N -1 0 239.702 2.019 20 10 BECDRM CC(C)OC1CN(Cc2cc(F)ccc2O)C1 ZINC000895955546 583752515 /nfs/dbraw/zinc/75/25/15/583752515.db2.gz QSDLQENDVRHDLQ-UHFFFAOYSA-N -1 0 239.290 2.141 20 10 BECDRM O=C(Nc1ccccc1)c1c([O-])c(O)ccc1F ZINC000789941406 585954361 /nfs/dbraw/zinc/95/43/61/585954361.db2.gz GZZACIIWWGWLFB-UHFFFAOYSA-N -1 0 247.225 2.489 20 10 BECDRM C[C@H]1C[C@H]1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000863466776 589290658 /nfs/dbraw/zinc/29/06/58/589290658.db2.gz BSVJUWXHSIMXIM-QWRGUYRKSA-N -1 0 249.310 2.242 20 10 BECDRM Cc1cccc(O)c1CNCC(C)(F)F ZINC000877552912 590355184 /nfs/dbraw/zinc/35/51/84/590355184.db2.gz XZMMUEXIJPMMME-UHFFFAOYSA-N -1 0 215.243 2.445 20 10 BECDRM Oc1cccc(Cl)c1C[NH+]1CCC(O)CC1 ZINC000128062308 590886376 /nfs/dbraw/zinc/88/63/76/590886376.db2.gz NFJFCYDNWAMYHK-UHFFFAOYSA-N -1 0 241.718 2.002 20 10 BECDRM CC(F)(F)CNCc1cc(F)cc(F)c1[O-] ZINC000708502696 712212071 /nfs/dbraw/zinc/21/20/71/712212071.db2.gz MRMSHFKUYSFLOR-UHFFFAOYSA-N -1 0 237.196 2.415 20 10 BECDRM C[C@H]([NH2+]CCCC(=O)[O-])c1ccc(F)cc1[O-] ZINC000062747628 948953988 /nfs/dbraw/zinc/95/39/88/948953988.db2.gz UQQRJKOZAYTIQS-QMMMGPOBSA-N -1 0 241.262 2.047 20 10 BECDRM C/C(=C\C(=O)[O-])CSc1nccs1 ZINC000082604046 957795297 /nfs/dbraw/zinc/79/52/97/957795297.db2.gz CGEYYVLVPKHQOG-GQCTYLIASA-N -1 0 215.299 2.266 20 10 BECDRM O=C([O-])[C@@H](Sc1nccs1)C1CC1 ZINC000084091076 957853309 /nfs/dbraw/zinc/85/33/09/957853309.db2.gz QQBNCZVZTAARPU-LURJTMIESA-N -1 0 215.299 2.098 20 10 BECDRM O=C([O-])c1csc(Sc2nccs2)n1 ZINC000306495349 963197583 /nfs/dbraw/zinc/19/75/83/963197583.db2.gz QBSULSYNJVQSII-UHFFFAOYSA-N -1 0 244.322 2.449 20 10 BECDRM O=C([O-])c1cnc(SC2CCOCC2)s1 ZINC000307690613 963223180 /nfs/dbraw/zinc/22/31/80/963223180.db2.gz NBYSAJXTSMEEPG-UHFFFAOYSA-N -1 0 245.325 2.112 20 10 BECDRM Nc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1 ZINC001215111106 970634905 /nfs/dbraw/zinc/63/49/05/970634905.db2.gz AGTKVKYVJRPRDO-UHFFFAOYSA-N -1 0 247.229 2.245 20 10 BECDRM Nc1ccc(Nc2cncc(C(=O)[O-])c2)cc1 ZINC001175844061 977763874 /nfs/dbraw/zinc/76/38/74/977763874.db2.gz YVODFGDQIAOHLJ-UHFFFAOYSA-N -1 0 229.239 2.106 20 10 BECDRM O=C([O-])c1cccc(NCc2ccccc2O)n1 ZINC001595251972 978008688 /nfs/dbraw/zinc/00/86/88/978008688.db2.gz VUTAQVHRPJENLA-UHFFFAOYSA-N -1 0 244.250 2.098 20 10 BECDRM O=C([O-])c1ccnc(NCc2ccccc2O)c1 ZINC001595265635 978010773 /nfs/dbraw/zinc/01/07/73/978010773.db2.gz WADXPHMDJVSFOF-UHFFFAOYSA-N -1 0 244.250 2.098 20 10 BECDRM O=C([O-])c1cnc(S[C@@H]2CCSC2)s1 ZINC001602537406 979124876 /nfs/dbraw/zinc/12/48/76/979124876.db2.gz SJQORJTZPUKPJO-RXMQYKEDSA-N -1 0 247.366 2.439 20 10 BECDRM C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001603134459 979386956 /nfs/dbraw/zinc/38/69/56/979386956.db2.gz RVJXDDPIGHJUAQ-YUMQZZPRSA-N -1 0 241.262 2.045 20 10 BECDRM CCCC(=O)CSc1ncc(C(=O)[O-])s1 ZINC001605187770 979833307 /nfs/dbraw/zinc/83/33/07/979833307.db2.gz CMBQCIHBDOFLOZ-UHFFFAOYSA-N -1 0 245.325 2.303 20 10 BECDRM CCCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595961649 983161371 /nfs/dbraw/zinc/16/13/71/983161371.db2.gz QUQOVQNTBMSMIL-UHFFFAOYSA-N -1 0 223.272 2.240 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](F)C1 ZINC001139685002 991309655 /nfs/dbraw/zinc/30/96/55/991309655.db2.gz SSJFFQACFAGIQX-SSDOTTSWSA-N -1 0 231.217 2.214 20 10 BECDRM CN(Cc1c(F)ccc(F)c1[O-])CC(F)F ZINC001139688799 991318248 /nfs/dbraw/zinc/31/82/48/991318248.db2.gz AVVPZIMZQKAWMY-UHFFFAOYSA-N -1 0 237.196 2.367 20 10 BECDRM COC1CC(Sc2ncc(C(=O)[O-])s2)C1 ZINC001599100448 997372312 /nfs/dbraw/zinc/37/23/12/997372312.db2.gz MLHDGTUVCQZONJ-UHFFFAOYSA-N -1 0 245.325 2.111 20 10 BECDRM Cc1ccc(C(=O)N(C)CC(C)C)c(O)c1O ZINC000267564849 178375883 /nfs/dbraw/zinc/37/58/83/178375883.db2.gz HIYPBZXYUWBIBH-UHFFFAOYSA-N -1 0 237.299 2.134 20 10 BECDRM C[C@H]([NH2+]Cc1cccc(F)c1[O-])c1cn[nH]c1 ZINC000226618320 386345027 /nfs/dbraw/zinc/34/50/27/386345027.db2.gz PNGIIZSTMDTICN-QMMMGPOBSA-N -1 0 235.262 2.105 20 10 BECDRM C[C@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732277777 584935482 /nfs/dbraw/zinc/93/54/82/584935482.db2.gz OYXPRNNMMXUNCA-SSDOTTSWSA-N -1 0 225.313 2.230 20 10 BECDRM [O-]c1c(CN2CC(C(F)F)C2)ccc(F)c1F ZINC000877580188 590364995 /nfs/dbraw/zinc/36/49/95/590364995.db2.gz HGHOQUAJKNAIRK-UHFFFAOYSA-N -1 0 249.207 2.367 20 10 BECDRM CN(C)c1ccc(CN(C(=O)[O-])C2CC2)cc1 ZINC000739619496 602667837 /nfs/dbraw/zinc/66/78/37/602667837.db2.gz XFYYKHZCGZXAMP-UHFFFAOYSA-N -1 0 234.299 2.395 20 10 BECDRM O=C([O-])N1CC[C@@H](CSc2nccs2)C1 ZINC000740500092 603183456 /nfs/dbraw/zinc/18/34/56/603183456.db2.gz FDFPCPAJUWIZSX-SSDOTTSWSA-N -1 0 244.341 2.235 20 10 BECDRM CC[C@H](Sc1nccs1)C(=O)[O-] ZINC000040676381 636937851 /nfs/dbraw/zinc/93/78/51/636937851.db2.gz GFRAGHNZPOAIFN-YFKPBYRVSA-N -1 0 203.288 2.098 20 10 BECDRM O=C(Nc1ccccc1O)c1cccc(O)c1O ZINC000059031766 640776278 /nfs/dbraw/zinc/77/62/78/640776278.db2.gz LQXFNCGWFMOXGZ-UHFFFAOYSA-N -1 0 245.234 2.056 20 10 BECDRM O=C([O-])c1cnc(SC[C@@H]2CCCO2)s1 ZINC000309011020 963321655 /nfs/dbraw/zinc/32/16/55/963321655.db2.gz PBHZNARXKZFRPG-LURJTMIESA-N -1 0 245.325 2.112 20 10 BECDRM Cc1nnc(-c2cc(O)c([O-])c(Cl)c2)o1 ZINC001253471106 969189593 /nfs/dbraw/zinc/18/95/93/969189593.db2.gz SSGZEXYHWNKODA-UHFFFAOYSA-N -1 0 226.619 2.110 20 10 BECDRM O=C1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912175 977778119 /nfs/dbraw/zinc/77/81/19/977778119.db2.gz XILSZAISSYYOTB-UHFFFAOYSA-N -1 0 239.702 2.211 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CC[C@H](F)C1 ZINC001139685684 991320172 /nfs/dbraw/zinc/32/01/72/991320172.db2.gz SSJFFQACFAGIQX-ZETCQYMHSA-N -1 0 231.217 2.214 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366563168 385636977 /nfs/dbraw/zinc/63/69/77/385636977.db2.gz XONASYUDGSNPJM-WDEREUQCSA-N -1 0 239.702 2.019 20 10 BECDRM C[N@H+](CCCCO)Cc1c(O)cccc1Cl ZINC000276648159 386360501 /nfs/dbraw/zinc/36/05/01/386360501.db2.gz LXCUBLFTQHXRSX-UHFFFAOYSA-N -1 0 243.734 2.250 20 10 BECDRM C[N@H+](CCF)Cc1cccc(Cl)c1[O-] ZINC000293685726 386862061 /nfs/dbraw/zinc/86/20/61/386862061.db2.gz QCNFHTJKFUWNIR-UHFFFAOYSA-N -1 0 217.671 2.447 20 10 BECDRM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000162807823 176306244 /nfs/dbraw/zinc/30/62/44/176306244.db2.gz YCTUAZMEWLUSAS-SECBINFHSA-N -1 0 241.718 2.266 20 10 BECDRM C[C@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000162813866 177292559 /nfs/dbraw/zinc/29/25/59/177292559.db2.gz KWXBJHJAENYGBK-VIFPVBQESA-N -1 0 241.718 2.266 20 10 BECDRM [O-]c1c(CNC(CF)CF)ccc(F)c1F ZINC000877559231 590358747 /nfs/dbraw/zinc/35/87/47/590358747.db2.gz KAFKHRKVYJFHAU-UHFFFAOYSA-N -1 0 237.196 2.068 20 10 BECDRM C[C@@H]1COCCN1Cc1cc(Cl)ccc1O ZINC000132604804 591724190 /nfs/dbraw/zinc/72/41/90/591724190.db2.gz ZXYRHLGOQUGGMH-SECBINFHSA-N -1 0 241.718 2.266 20 10 BECDRM CC[C@@H](Sc1nccs1)C(=O)[O-] ZINC000040676383 636938313 /nfs/dbraw/zinc/93/83/13/636938313.db2.gz GFRAGHNZPOAIFN-RXMQYKEDSA-N -1 0 203.288 2.098 20 10 BECDRM C[C@H](NCc1cc(F)cc(F)c1[O-])C(F)F ZINC000708515913 712211928 /nfs/dbraw/zinc/21/19/28/712211928.db2.gz AGXPURUVRKJYPE-YFKPBYRVSA-N -1 0 237.196 2.414 20 10 BECDRM CC[C@@H](CSc1ncc(C(=O)[O-])s1)OC ZINC001605059639 979806955 /nfs/dbraw/zinc/80/69/55/979806955.db2.gz YGTXOGYVQDSCET-LURJTMIESA-N -1 0 247.341 2.358 20 10 BECDRM C[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(F)cc1[O-] ZINC000062747629 948953213 /nfs/dbraw/zinc/95/32/13/948953213.db2.gz UQQRJKOZAYTIQS-MRVPVSSYSA-N -1 0 241.262 2.047 20 10 BECDRM C/C(=C/C(=O)[O-])CSc1nccs1 ZINC000215615096 959755593 /nfs/dbraw/zinc/75/55/93/959755593.db2.gz CGEYYVLVPKHQOG-XQRVVYSFSA-N -1 0 215.299 2.266 20 10 BECDRM [O-]c1c(CN2C[C@@H](F)[C@H](F)C2)ccc(F)c1F ZINC000714557985 964097203 /nfs/dbraw/zinc/09/72/03/964097203.db2.gz JSUAGDCMLVOZGE-RKDXNWHRSA-N -1 0 249.207 2.162 20 10 BECDRM CC[C@@H](Sc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226766478 965244517 /nfs/dbraw/zinc/24/45/17/965244517.db2.gz QOHPLFGPSIPGKR-SCSAIBSYSA-N -1 0 248.285 2.007 20 10 BECDRM Nc1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1 ZINC001215129913 970642147 /nfs/dbraw/zinc/64/21/47/970642147.db2.gz GZQMKMBROCWGBB-UHFFFAOYSA-N -1 0 247.229 2.245 20 10 BECDRM CCCSc1ncc(C(=O)[O-])s1 ZINC000393355950 972588468 /nfs/dbraw/zinc/58/84/68/972588468.db2.gz SIGQXHIANFVZML-UHFFFAOYSA-N -1 0 203.288 2.343 20 10 BECDRM O=C([O-])c1cnc(S[C@H]2CCSC2)s1 ZINC001602537407 979125732 /nfs/dbraw/zinc/12/57/32/979125732.db2.gz SJQORJTZPUKPJO-YFKPBYRVSA-N -1 0 247.366 2.439 20 10 BECDRM O=C([O-])c1cnc(S[C@@H]2CCCOC2)s1 ZINC001602537560 979126962 /nfs/dbraw/zinc/12/69/62/979126962.db2.gz VHDYYWBMSRDPQY-ZCFIWIBFSA-N -1 0 245.325 2.112 20 10 BECDRM O=C([O-])c1cnc(SCc2ccon2)s1 ZINC001602534484 979127045 /nfs/dbraw/zinc/12/70/45/979127045.db2.gz DOZIOSXAZFSHFN-UHFFFAOYSA-N -1 0 242.281 2.122 20 10 BECDRM C[C@@H]([NH2+]CCCC(=O)[O-])c1c([O-])cccc1F ZINC001589128109 982628739 /nfs/dbraw/zinc/62/87/39/982628739.db2.gz KIGWHNCNRDUGDH-MRVPVSSYSA-N -1 0 241.262 2.047 20 10 BECDRM Cc1nocc1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC001474250856 987667781 /nfs/dbraw/zinc/66/77/81/987667781.db2.gz MIRASCQDJILJDJ-UHFFFAOYSA-N -1 0 249.226 2.209 20 10 BECDRM COCCCCSc1ncc(C(=O)[O-])s1 ZINC001610255326 1170365950 /nfs/dbraw/zinc/36/59/50/1170365950.db2.gz OUUAGHLTVRVODF-UHFFFAOYSA-N -1 0 247.341 2.360 20 10 BECDRM CC(C)[C@@H]1C[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000839786365 585341884 /nfs/dbraw/zinc/34/18/84/585341884.db2.gz UVDKWVAOEVTSGE-WPRPVWTQSA-N -1 0 239.340 2.476 20 10 BECDRM C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000825104195 587304714 /nfs/dbraw/zinc/30/47/14/587304714.db2.gz QTUKBPHUEGSWBR-LDYMZIIASA-N -1 0 241.718 2.001 20 10 BECDRM CN(CC1CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846279571 588263676 /nfs/dbraw/zinc/26/36/76/588263676.db2.gz GLMKBXJPDHCXDK-UHFFFAOYSA-N -1 0 249.310 2.386 20 10 BECDRM C[C@@H]1C[C@@H]1CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000863466774 589290729 /nfs/dbraw/zinc/29/07/29/589290729.db2.gz BSVJUWXHSIMXIM-GHMZBOCLSA-N -1 0 249.310 2.242 20 10 BECDRM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000883407118 591651138 /nfs/dbraw/zinc/65/11/38/591651138.db2.gz LRIRHZQJOQTUAO-LURJTMIESA-N -1 0 246.213 2.044 20 10 BECDRM COc1ccc(N(C)C/C=C(/C)C(=O)[O-])cc1 ZINC000088630625 711844153 /nfs/dbraw/zinc/84/41/53/711844153.db2.gz XKMZVDMHWXCHDR-NTMALXAHSA-N -1 0 235.283 2.162 20 10 BECDRM [O-]c1c(F)cc(F)cc1CN1CC[C@H](F)C1 ZINC000708382827 712191750 /nfs/dbraw/zinc/19/17/50/712191750.db2.gz IKILBALQZCIBSU-QMMMGPOBSA-N -1 0 231.217 2.214 20 10 BECDRM [O-]c1c(F)cc(F)cc1CNCC(F)F ZINC000708391035 712192130 /nfs/dbraw/zinc/19/21/30/712192130.db2.gz SPEMCJIPJSAMMU-UHFFFAOYSA-N -1 0 223.169 2.025 20 10 BECDRM CC(C)(CSc1nccs1)C(=O)[O-] ZINC000086593364 957972517 /nfs/dbraw/zinc/97/25/17/957972517.db2.gz OXMYQXLHKFSYKW-UHFFFAOYSA-N -1 0 217.315 2.346 20 10 BECDRM COC1CN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800679 980049501 /nfs/dbraw/zinc/04/95/01/980049501.db2.gz AJDVIEUBTLQCNP-UHFFFAOYSA-N -1 0 245.681 2.015 20 10 BECDRM COc1ccc(N(C)C/C(C)=C\C(=O)[O-])cc1 ZINC000211335093 959682229 /nfs/dbraw/zinc/68/22/29/959682229.db2.gz JSCBYHAKLIKFSH-NTMALXAHSA-N -1 0 235.283 2.162 20 10 BECDRM [O-]c1cc(F)cc(F)c1CN1CC(C(F)F)C1 ZINC001140585265 960443866 /nfs/dbraw/zinc/44/38/66/960443866.db2.gz CAMUOIXEVVDXOF-UHFFFAOYSA-N -1 0 249.207 2.367 20 10 BECDRM CN(c1ccc(N)cc1)c1cncc(C(=O)[O-])c1 ZINC001175842491 977761846 /nfs/dbraw/zinc/76/18/46/977761846.db2.gz JZSZLBYBBMPXIU-UHFFFAOYSA-N -1 0 243.266 2.130 20 10 BECDRM O=C([O-])c1cccnc1NCc1ccccc1O ZINC001595262336 978008889 /nfs/dbraw/zinc/00/88/89/978008889.db2.gz ZGJMCLCMICJTGE-UHFFFAOYSA-N -1 0 244.250 2.098 20 10 BECDRM O=C([O-])c1cnc(SC2CCC2)s1 ZINC001602537649 979125027 /nfs/dbraw/zinc/12/50/27/979125027.db2.gz ZEVQTXYFSUNAKF-UHFFFAOYSA-N -1 0 215.299 2.486 20 10 BECDRM C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1ccc(F)cc1[O-] ZINC001603134456 979386417 /nfs/dbraw/zinc/38/64/17/979386417.db2.gz RVJXDDPIGHJUAQ-JGVFFNPUSA-N -1 0 241.262 2.045 20 10 BECDRM C[C@H](CC(=O)[O-])[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC001603134454 979387157 /nfs/dbraw/zinc/38/71/57/979387157.db2.gz RVJXDDPIGHJUAQ-HTQZYQBOSA-N -1 0 241.262 2.045 20 10 BECDRM CC[C@H](CSc1ncc(C(=O)[O-])s1)OC ZINC001605059645 979808446 /nfs/dbraw/zinc/80/84/46/979808446.db2.gz YGTXOGYVQDSCET-ZCFIWIBFSA-N -1 0 247.341 2.358 20 10 BECDRM O=C([O-])[C@@H](F)CSc1ncc(Cl)s1 ZINC001608542627 980227072 /nfs/dbraw/zinc/22/70/72/980227072.db2.gz BUTGOBWDXLOZDL-VKHMYHEASA-N -1 0 241.696 2.311 20 10 BECDRM C[C@@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC000162813766 176337494 /nfs/dbraw/zinc/33/74/94/176337494.db2.gz KWXBJHJAENYGBK-SECBINFHSA-N -1 0 241.718 2.266 20 10 BECDRM C[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732277778 584935676 /nfs/dbraw/zinc/93/56/76/584935676.db2.gz OYXPRNNMMXUNCA-ZETCQYMHSA-N -1 0 225.313 2.230 20 10 BECDRM CCN(CC)c1ccc(CNC(=O)[O-])cc1F ZINC000737088278 585025463 /nfs/dbraw/zinc/02/54/63/585025463.db2.gz JJNVMCZIXLWRDA-UHFFFAOYSA-N -1 0 240.278 2.440 20 10 BECDRM O=C(N[C@@H]1C[C@H]1c1ccco1)C1=CC(=O)CS1 ZINC000839925214 586238441 /nfs/dbraw/zinc/23/84/41/586238441.db2.gz VAFXUDOPMOFZMO-RKDXNWHRSA-N -1 0 249.291 2.333 20 10 BECDRM C/C(=C\CSc1nccs1)C(=O)[O-] ZINC000084001538 601099141 /nfs/dbraw/zinc/09/91/41/601099141.db2.gz ZIAPUCSEPKKAAK-QHHAFSJGSA-N -1 0 215.299 2.266 20 10 BECDRM [O-]c1c(CN2CC[C@H](F)C2)ccc(F)c1F ZINC000703448655 712076137 /nfs/dbraw/zinc/07/61/37/712076137.db2.gz UNCXIHREAUICPM-QMMMGPOBSA-N -1 0 231.217 2.214 20 10 BECDRM [O-]c1c(F)cc(F)cc1CNCC(F)(F)F ZINC000708437295 712194931 /nfs/dbraw/zinc/19/49/31/712194931.db2.gz QVZNGCBXDXBKDC-UHFFFAOYSA-N -1 0 241.159 2.322 20 10 BECDRM O=C([O-])CC1(CSc2nccs2)CC1 ZINC000083828010 957834037 /nfs/dbraw/zinc/83/40/37/957834037.db2.gz HEEBQDPHOSKIGE-UHFFFAOYSA-N -1 0 229.326 2.490 20 10 BECDRM C[N@H+](Cc1cccc(Cl)c1[O-])C1(C)COC1 ZINC001231912424 977795732 /nfs/dbraw/zinc/79/57/32/977795732.db2.gz FRTSUKQKRLHHKB-UHFFFAOYSA-N -1 0 241.718 2.266 20 10 BECDRM C[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142509091 964345681 /nfs/dbraw/zinc/34/56/81/964345681.db2.gz WMRLRSUQDCAOSG-SSDOTTSWSA-N -1 0 213.227 2.265 20 10 BECDRM CC(C)N(C)C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193589044 981378091 /nfs/dbraw/zinc/37/80/91/981378091.db2.gz AAHLIIJTAAKONJ-UHFFFAOYSA-N -1 0 243.690 2.232 20 10 BECDRM CC/C=C/NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634026 981389055 /nfs/dbraw/zinc/38/90/55/981389055.db2.gz PPAIBHCSXOYHGJ-ONEGZZNKSA-N -1 0 241.674 2.405 20 10 BECDRM CCO[C@H](C)Sc1ncc(C(=O)[O-])s1 ZINC001596772013 985192546 /nfs/dbraw/zinc/19/25/46/985192546.db2.gz FLSVJFGRLSVGDI-YFKPBYRVSA-N -1 0 233.314 2.316 20 10 BECDRM O=C([O-])c1cnc(SCC(F)F)s1 ZINC001602537175 989138594 /nfs/dbraw/zinc/13/85/94/989138594.db2.gz LVEXRLSSRLWZKO-UHFFFAOYSA-N -1 0 225.241 2.199 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CC(C(F)F)C1 ZINC001139690616 991317198 /nfs/dbraw/zinc/31/71/98/991317198.db2.gz YLTQLBIZMCKWBK-UHFFFAOYSA-N -1 0 249.207 2.367 20 10 BECDRM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000162807935 177265298 /nfs/dbraw/zinc/26/52/98/177265298.db2.gz YCTUAZMEWLUSAS-VIFPVBQESA-N -1 0 241.718 2.266 20 10 BECDRM Cc1ncsc1NC(=O)C1=CC(=O)CS1 ZINC000761608088 585417639 /nfs/dbraw/zinc/41/76/39/585417639.db2.gz LHNVYTRESYXDMY-UHFFFAOYSA-N -1 0 240.309 2.471 20 10 BECDRM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2C)c(O)c1O ZINC000780948828 585787137 /nfs/dbraw/zinc/78/71/37/585787137.db2.gz HPPWRKPNOFJUGI-PSASIEDQSA-N -1 0 249.310 2.277 20 10 BECDRM Cc1ccc(C(=O)NCCCC2CC2)c(O)c1O ZINC000780945739 585787147 /nfs/dbraw/zinc/78/71/47/585787147.db2.gz NYHOQBIHOAWZHL-UHFFFAOYSA-N -1 0 249.310 2.326 20 10 BECDRM Cc1cc(C[NH2+][C@H](C)c2ccccc2O)nn1C ZINC000877755576 590416655 /nfs/dbraw/zinc/41/66/55/590416655.db2.gz FWFTVQGRCFKEKA-LLVKDONJSA-N -1 0 245.326 2.285 20 10 BECDRM O=C([O-])[C@H](F)CSc1ncc(Cl)s1 ZINC001608542623 980225440 /nfs/dbraw/zinc/22/54/40/980225440.db2.gz BUTGOBWDXLOZDL-GSVOUGTGSA-N -1 0 241.696 2.311 20 10 BECDRM C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1cn[nH]c1 ZINC000226618312 386343479 /nfs/dbraw/zinc/34/34/79/386343479.db2.gz PNGIIZSTMDTICN-MRVPVSSYSA-N -1 0 235.262 2.105 20 10 BECDRM COc1ccc(N(CC(=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000237247264 135070205 /nfs/dbraw/zinc/07/02/05/135070205.db2.gz BSXLQSRSQUWCIH-JTQLQIEISA-N -1 0 249.310 2.385 20 10 BECDRM COc1ccc(N(C)C/C(C)=C/C(=O)[O-])cc1 ZINC000104273693 175135865 /nfs/dbraw/zinc/13/58/65/175135865.db2.gz JSCBYHAKLIKFSH-CSKARUKUSA-N -1 0 235.283 2.162 20 10 BECDRM O=C(NCCC(F)(F)F)C1=CC(=O)CS1 ZINC000743803103 585139652 /nfs/dbraw/zinc/13/96/52/585139652.db2.gz DSVLFNLEXBCPSY-UHFFFAOYSA-N -1 0 239.218 2.136 20 10 BECDRM CC(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000732276495 584935576 /nfs/dbraw/zinc/93/55/76/584935576.db2.gz RVKLIRFVGKYHFM-UHFFFAOYSA-N -1 0 213.302 2.230 20 10 BECDRM CN(Cc1ccoc1)C(=O)C1=CC(=O)CS1 ZINC000732276888 584935628 /nfs/dbraw/zinc/93/56/28/584935628.db2.gz VKHYRXXOOZQVEU-UHFFFAOYSA-N -1 0 237.280 2.319 20 10 BECDRM COCCCCCNC(=O)C1=CC(=O)CS1 ZINC000732279149 584935738 /nfs/dbraw/zinc/93/57/38/584935738.db2.gz HTYWRSYUWQSLBS-UHFFFAOYSA-N -1 0 243.328 2.000 20 10 BECDRM C[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccn(C)n1 ZINC000839191441 585097483 /nfs/dbraw/zinc/09/74/83/585097483.db2.gz PPJOULUYKLQMIO-SECBINFHSA-N -1 0 249.289 2.116 20 10 BECDRM [O-]c1c(F)cc(Cl)cc1CN1CC(F)C1 ZINC000753577005 585262243 /nfs/dbraw/zinc/26/22/43/585262243.db2.gz QKEGAONZBKUMQQ-UHFFFAOYSA-N -1 0 233.645 2.338 20 10 BECDRM CC[N@H+](CCO)Cc1c(O)cc(C)cc1Cl ZINC000840907295 587928806 /nfs/dbraw/zinc/92/88/06/587928806.db2.gz CAVOZDZZGSGMFA-UHFFFAOYSA-N -1 0 243.734 2.168 20 10 BECDRM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000883407119 591650898 /nfs/dbraw/zinc/65/08/98/591650898.db2.gz LRIRHZQJOQTUAO-ZCFIWIBFSA-N -1 0 246.213 2.044 20 10 BECDRM O=C([O-])N1CC[C@H](CSc2nccs2)C1 ZINC000740500093 603183324 /nfs/dbraw/zinc/18/33/24/603183324.db2.gz FDFPCPAJUWIZSX-ZETCQYMHSA-N -1 0 244.341 2.235 20 10 BECDRM O=C([O-])c1cnc(SC[C@H]2CCCO2)s1 ZINC000309011021 963321049 /nfs/dbraw/zinc/32/10/49/963321049.db2.gz PBHZNARXKZFRPG-ZCFIWIBFSA-N -1 0 245.325 2.112 20 10 BECDRM C[C@@H](Sc1ncc(Cl)s1)C(=O)[O-] ZINC001603284281 979428358 /nfs/dbraw/zinc/42/83/58/979428358.db2.gz HNTCKOWTSOJOMV-GSVOUGTGSA-N -1 0 223.706 2.362 20 10 BECDRM COc1ccc(CN2CC(F)C2)c([O-])c1Cl ZINC001236800694 979741042 /nfs/dbraw/zinc/74/10/42/979741042.db2.gz DDACXDIWZQGXGT-UHFFFAOYSA-N -1 0 245.681 2.208 20 10 BECDRM CC(C)(C)Cc1nnc(-c2cc([O-])[nH]c(=O)c2)o1 ZINC001257835163 971498500 /nfs/dbraw/zinc/49/85/00/971498500.db2.gz POYHRFXUFYJFNJ-UHFFFAOYSA-N -1 0 249.270 2.131 20 10 BECDRM [O-]c1cc(F)cc(F)c1CN1CC(F)(F)C1 ZINC001140579816 958985125 /nfs/dbraw/zinc/98/51/25/958985125.db2.gz IDIRKAKVGWDIBJ-UHFFFAOYSA-N -1 0 235.180 2.121 20 10 BECDRM O=C([O-])CSc1ncc(C(F)(F)F)s1 ZINC000698465808 965294516 /nfs/dbraw/zinc/29/45/16/965294516.db2.gz VCKDJIPXVDUGCN-UHFFFAOYSA-N -1 0 243.231 2.339 20 10 BECDRM CCc1nnc(-c2cc(O)c([O-])c(Cl)c2)o1 ZINC001255144826 969951472 /nfs/dbraw/zinc/95/14/72/969951472.db2.gz MTLQKSNDXVQFLZ-UHFFFAOYSA-N -1 0 240.646 2.364 20 10 BECDRM [O-]c1c(Cl)cccc1CN1CC(F)(F)C1 ZINC001231909764 977790568 /nfs/dbraw/zinc/79/05/68/977790568.db2.gz OXJNINVRCBKYGI-UHFFFAOYSA-N -1 0 233.645 2.497 20 10 BECDRM CC[N@H+](Cc1cccc(Cl)c1[O-])C1COC1 ZINC001231912516 977796191 /nfs/dbraw/zinc/79/61/91/977796191.db2.gz KEKVBGCIYJDPNP-UHFFFAOYSA-N -1 0 241.718 2.266 20 10 BECDRM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1F ZINC001233074901 978460320 /nfs/dbraw/zinc/46/03/20/978460320.db2.gz ZQZUCXUMZNXHGT-XCBNKYQSSA-N -1 0 245.244 2.460 20 10 BECDRM O=C([O-])c1cnc(SCOC2CCC2)s1 ZINC001602537392 979126347 /nfs/dbraw/zinc/12/63/47/979126347.db2.gz RMUYXHULSLVZOR-UHFFFAOYSA-N -1 0 245.325 2.460 20 10 BECDRM CC[C@@H](C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193624957 981390240 /nfs/dbraw/zinc/39/02/40/981390240.db2.gz AZRHXDACBGGJFY-ZCFIWIBFSA-N -1 0 243.690 2.280 20 10 BECDRM [O-]c1c(F)ccc(F)c1CN1CCCCO1 ZINC001139684411 987399178 /nfs/dbraw/zinc/39/91/78/987399178.db2.gz JHKGPEONCURJJU-UHFFFAOYSA-N -1 0 229.226 2.198 20 10 BECDRM O=C([O-])c1cnc(SCCCCCO)s1 ZINC001610862957 1170421651 /nfs/dbraw/zinc/42/16/51/1170421651.db2.gz MPQQJYBBPPQWAR-UHFFFAOYSA-N -1 0 247.341 2.096 20 10 BECDRM CCOC1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000297419156 170337321 /nfs/dbraw/zinc/33/73/21/170337321.db2.gz MEBACYNGQHZIAR-UHFFFAOYSA-N -1 0 241.718 2.266 20 10 BECDRM [O-]c1c(F)cc(F)cc1CN1CC(C(F)F)C1 ZINC000894976462 583562208 /nfs/dbraw/zinc/56/22/08/583562208.db2.gz JXYBFDLSQKNZRD-UHFFFAOYSA-N -1 0 249.207 2.367 20 10 BECDRM CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806419407 586412177 /nfs/dbraw/zinc/41/21/77/586412177.db2.gz SVVWGRGVQQPHFF-UHFFFAOYSA-N -1 0 249.097 2.128 20 10 BECDRM CCOc1ccc(N(CC(=O)[O-])CC2CC2)cc1 ZINC000873642981 590066488 /nfs/dbraw/zinc/06/64/88/590066488.db2.gz BQPVUADYPRSQCI-UHFFFAOYSA-N -1 0 249.310 2.386 20 10 BECDRM Cc1nc(CN2Cc3cccc(O)c3C2)[nH]c1C ZINC000877702892 590396156 /nfs/dbraw/zinc/39/61/56/590396156.db2.gz JBMSPWPXSLYPKF-UHFFFAOYSA-N -1 0 243.310 2.248 20 10 BECDRM