smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1OCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296389546 353945563 /nfs/dbraw/zinc/94/55/63/353945563.db2.gz SNHCFDAMSAENFD-UHLUBPPHSA-N -1 1 285.271 0.507 20 10 CCCDMM COC[C@@H](O)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000297251381 200126023 /nfs/dbraw/zinc/12/60/23/200126023.db2.gz VJYGOWNJULWNLO-ZETCQYMHSA-N -1 1 273.260 0.364 20 10 CCCDMM COc1c([O-])c(C[NH+]2CC(CC(N)=O)C2)ccc1[N+](=O)[O-] ZINC000297430629 200187500 /nfs/dbraw/zinc/18/75/00/200187500.db2.gz OLQUZNUKPGZNDK-UHFFFAOYSA-N -1 1 295.295 0.616 20 10 CCCDMM C[C@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276559775 524573686 /nfs/dbraw/zinc/57/36/86/524573686.db2.gz IXTMPVCWEWWTFF-RQJHMYQMSA-N -1 1 257.261 0.984 20 10 CCCDMM O=C(COC(=O)[C@@H](O)C1CC1)c1ccc([O-])c(O)c1 ZINC000783561579 581162457 /nfs/dbraw/zinc/16/24/57/581162457.db2.gz RPIAFMYYSHPGHS-LBPRGKRZSA-N -1 1 266.249 0.595 20 10 CCCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnn(C)n2)c1 ZINC000787036762 581456428 /nfs/dbraw/zinc/45/64/28/581456428.db2.gz FIXKFWPDJDYFFF-MRVPVSSYSA-N -1 1 291.311 0.553 20 10 CCCDMM O=C(NCc1ccccc1O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124716 582023202 /nfs/dbraw/zinc/02/32/02/582023202.db2.gz WETNNFZXOXPUOZ-UHFFFAOYSA-N -1 1 296.290 0.897 20 10 CCCDMM O=C(NCc1ccccc1O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124716 582023203 /nfs/dbraw/zinc/02/32/03/582023203.db2.gz WETNNFZXOXPUOZ-UHFFFAOYSA-N -1 1 296.290 0.897 20 10 CCCDMM CN1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911483498 616209079 /nfs/dbraw/zinc/20/90/79/616209079.db2.gz BJAWDNNWYKPXIP-LBPRGKRZSA-N -1 1 292.335 0.900 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(C(=O)C2CC2)C1 ZINC000817770278 641273676 /nfs/dbraw/zinc/27/36/76/641273676.db2.gz NAMPYVMNLDZZIJ-UHFFFAOYSA-N -1 1 294.282 0.889 20 10 CCCDMM O=C(NCCOCCF)c1c(F)ccc(O)c1[O-] ZINC000857340042 644500571 /nfs/dbraw/zinc/50/05/71/644500571.db2.gz QRDDECVBSHVCBW-UHFFFAOYSA-N -1 1 261.224 0.953 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@@H]2C[C@]2(O)C1 ZINC000882345041 647400116 /nfs/dbraw/zinc/40/01/16/647400116.db2.gz SUANDFKZOOEAKY-QTTZVWFDSA-N -1 1 253.229 0.444 20 10 CCCDMM CC1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)COC1 ZINC001143391578 791162278 /nfs/dbraw/zinc/16/22/78/791162278.db2.gz ZPGMURWZUNXRJM-UHFFFAOYSA-N -1 1 265.265 0.433 20 10 CCCDMM O=C([O-])c1ccc(CN2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001231447842 805805015 /nfs/dbraw/zinc/80/50/15/805805015.db2.gz WYKUFDGTVAIXEG-MNOVXSKESA-N -1 1 269.272 0.995 20 10 CCCDMM C[C@H]1C(=O)NCCN1Cc1c([O-])ccc(F)c1F ZINC001233334416 806042504 /nfs/dbraw/zinc/04/25/04/806042504.db2.gz GAMUHMIVCRAHME-ZETCQYMHSA-N -1 1 256.252 0.991 20 10 CCCDMM CS(=O)(=O)N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837932 799689595 /nfs/dbraw/zinc/68/95/95/799689595.db2.gz ZYQWFPXHYKWVLJ-UHFFFAOYSA-N -1 1 288.344 0.609 20 10 CCCDMM CC[C@@H](C)S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001260751005 808883502 /nfs/dbraw/zinc/88/35/02/808883502.db2.gz SDRHCJIRSGFLLR-MRVPVSSYSA-N -1 1 287.337 0.998 20 10 CCCDMM N[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C(F)(F)F ZINC001220489525 804613517 /nfs/dbraw/zinc/61/35/17/804613517.db2.gz ACWGAGYIAWLQRI-SECBINFHSA-N -1 1 292.213 0.286 20 10 CCCDMM CN1C(=O)CC[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184332904 844217458 /nfs/dbraw/zinc/21/74/58/844217458.db2.gz MICAOFMZFVNDIM-VIFPVBQESA-N -1 1 292.291 0.018 20 10 CCCDMM O=C(Cc1ncccn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177379793 842557373 /nfs/dbraw/zinc/55/73/73/842557373.db2.gz PPCWCALPXUTSQN-UHFFFAOYSA-N -1 1 287.275 0.429 20 10 CCCDMM Cn1cnc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001177852707 842696013 /nfs/dbraw/zinc/69/60/13/842696013.db2.gz CUEQSJPDGQGYEI-UHFFFAOYSA-N -1 1 289.291 0.373 20 10 CCCDMM O=C(C[C@@H]1CCOC1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180926679 843342387 /nfs/dbraw/zinc/34/23/87/843342387.db2.gz SWPOWDBACPIZFL-VIFPVBQESA-N -1 1 279.292 0.823 20 10 CCCDMM O=C(CNC(=O)c1ncc[nH]1)c1ccc([O-])c(O)c1 ZINC001187742650 844762437 /nfs/dbraw/zinc/76/24/37/844762437.db2.gz SOIVKCPIAKUJAK-UHFFFAOYSA-N -1 1 261.237 0.434 20 10 CCCDMM O=C(CNC(=O)c1ncon1)c1ccc([O-])c(O)c1 ZINC001192028266 845776033 /nfs/dbraw/zinc/77/60/33/845776033.db2.gz MJLRFYQHEILHJW-UHFFFAOYSA-N -1 1 263.209 0.094 20 10 CCCDMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC000085200956 846320667 /nfs/dbraw/zinc/32/06/67/846320667.db2.gz YLCSWLTYWSTLNB-UHFFFAOYSA-N -1 1 277.273 0.836 20 10 CCCDMM CCCS(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001253739783 851602149 /nfs/dbraw/zinc/60/21/49/851602149.db2.gz RITXKUORHVQGFI-UHFFFAOYSA-N -1 1 273.310 0.610 20 10 CCCDMM [O-]c1c(F)ccc(F)c1CN1C[C@H](O)[C@@H](CO)C1 ZINC001139684393 855693871 /nfs/dbraw/zinc/69/38/71/855693871.db2.gz ILIFGRVPOBGHAN-HQJQHLMTSA-N -1 1 259.252 0.455 20 10 CCCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nn[n-]n1 ZINC001296245797 906884888 /nfs/dbraw/zinc/88/48/88/906884888.db2.gz IDRMLERVTANXOC-MRVPVSSYSA-N -1 1 291.311 0.291 20 10 CCCDMM COC(=O)COCC(=O)NCc1cccc(Cl)c1[O-] ZINC001334061770 919347154 /nfs/dbraw/zinc/34/71/54/919347154.db2.gz ZFVITVMNKIQWJA-UHFFFAOYSA-N -1 1 287.699 0.851 20 10 CCCDMM COc1cccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c1O ZINC001599674067 994866633 /nfs/dbraw/zinc/86/66/33/994866633.db2.gz YSZJRXHBPDGVHL-CMPLNLGQSA-N -1 1 281.308 0.811 20 10 CCCDMM C[C@H](C[S@@](C)=O)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000278750572 524668174 /nfs/dbraw/zinc/66/81/74/524668174.db2.gz MJOFASVOQZMFQH-FWCARGHBSA-N -1 1 275.301 0.734 20 10 CCCDMM C[C@@H](CO)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276559742 524813396 /nfs/dbraw/zinc/81/33/96/524813396.db2.gz IXTMPVCWEWWTFF-BQBZGAKWSA-N -1 1 257.261 0.984 20 10 CCCDMM O=C(NCC1(O)CCC1)c1c(F)ccc(O)c1[O-] ZINC000789983888 581168701 /nfs/dbraw/zinc/16/87/01/581168701.db2.gz MLZWGAYVUDIVPL-UHFFFAOYSA-N -1 1 255.245 0.882 20 10 CCCDMM Nc1ccnc(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000790070946 581175439 /nfs/dbraw/zinc/17/54/39/581175439.db2.gz MOIHNCWYHUEXIJ-UHFFFAOYSA-N -1 1 278.243 0.539 20 10 CCCDMM CCC(=O)N[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782701165 581317935 /nfs/dbraw/zinc/31/79/35/581317935.db2.gz SYTQETKFPGVYFZ-QMMMGPOBSA-N -1 1 295.291 0.738 20 10 CCCDMM O=C(COC(=O)[C@@H]1COCCO1)c1ccc([O-])c(O)c1 ZINC000782791769 581320583 /nfs/dbraw/zinc/32/05/83/581320583.db2.gz CDDLKIDTKCBATR-LBPRGKRZSA-N -1 1 282.248 0.239 20 10 CCCDMM COc1ccc(CNc2nc3[nH][n-]cc-3c(=O)n2)c(O)c1 ZINC000795284916 581403014 /nfs/dbraw/zinc/40/30/14/581403014.db2.gz MVLOUIKEDSFRET-UHFFFAOYSA-N -1 1 287.279 0.758 20 10 CCCDMM COc1c([O-])c(CN2CC(=O)N(C)C2)ccc1[N+](=O)[O-] ZINC000775056456 582010260 /nfs/dbraw/zinc/01/02/60/582010260.db2.gz YKWNTJVGYHDQBL-UHFFFAOYSA-N -1 1 281.268 0.541 20 10 CCCDMM CCN(CC(=O)N(C)C)C(=O)c1c([O-])c(O)ccc1F ZINC000825455646 614924872 /nfs/dbraw/zinc/92/48/72/614924872.db2.gz FSCMAAVONWYGEF-UHFFFAOYSA-N -1 1 284.287 0.787 20 10 CCCDMM CCn1nncc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815527438 615751037 /nfs/dbraw/zinc/75/10/37/615751037.db2.gz CGHFRSQPLTVNMS-UHFFFAOYSA-N -1 1 291.263 0.749 20 10 CCCDMM CN(C)S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327695 615968863 /nfs/dbraw/zinc/96/88/63/615968863.db2.gz DYTPTBTYHASTBE-UHFFFAOYSA-N -1 1 264.734 0.942 20 10 CCCDMM O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1c(F)ccc(O)c1[O-] ZINC000899283815 633789149 /nfs/dbraw/zinc/78/91/49/633789149.db2.gz SFFAMLHOZDYUSY-BDAKNGLRSA-N -1 1 299.298 0.897 20 10 CCCDMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1c(F)ccc(O)c1[O-] ZINC000899283816 633789318 /nfs/dbraw/zinc/78/93/18/633789318.db2.gz SFFAMLHOZDYUSY-DTWKUNHWSA-N -1 1 299.298 0.897 20 10 CCCDMM O=C(NCCCn1ccnn1)c1c(F)ccc(O)c1[O-] ZINC000828292277 642083418 /nfs/dbraw/zinc/08/34/18/642083418.db2.gz BJUUYODXXIREDE-UHFFFAOYSA-N -1 1 280.259 0.649 20 10 CCCDMM CO[C@](C)(CO)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000848390510 643631698 /nfs/dbraw/zinc/63/16/98/643631698.db2.gz RBIIDPWSSMFEQQ-LBPRGKRZSA-N -1 1 273.260 0.364 20 10 CCCDMM NC(=O)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000857261481 644490316 /nfs/dbraw/zinc/49/03/16/644490316.db2.gz PBXDYTYAWKXUHH-SSDOTTSWSA-N -1 1 282.271 0.574 20 10 CCCDMM O=C([O-])c1ccc(CN2CCN3C(=O)OC[C@H]3C2)c(O)c1 ZINC001231455625 805805940 /nfs/dbraw/zinc/80/59/40/805805940.db2.gz SCKWSDNHSLKBHD-LLVKDONJSA-N -1 1 292.291 0.727 20 10 CCCDMM CN1CCN(C2CN(Cc3cccc(F)c3[O-])C2)CC1=O ZINC001138128451 799703110 /nfs/dbraw/zinc/70/31/10/799703110.db2.gz KUMHKWNYGQCWPJ-UHFFFAOYSA-N -1 1 293.342 0.490 20 10 CCCDMM N[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)C(F)(F)F ZINC001220489532 804613405 /nfs/dbraw/zinc/61/34/05/804613405.db2.gz ACWGAGYIAWLQRI-VIFPVBQESA-N -1 1 292.213 0.286 20 10 CCCDMM O=C([O-])[C@H](O)C[NH2+]Cc1c([O-])cccc1Br ZINC001262164681 809214515 /nfs/dbraw/zinc/21/45/15/809214515.db2.gz RIJHDQWYIOXTDO-SECBINFHSA-N -1 1 290.113 0.690 20 10 CCCDMM O=C(CNC(=O)c1ccc(=O)[nH]n1)c1ccc([O-])c(O)c1 ZINC001146989758 840434321 /nfs/dbraw/zinc/43/43/21/840434321.db2.gz MRGWUXDNCJVJBW-UHFFFAOYSA-N -1 1 289.247 0.206 20 10 CCCDMM O=C(N[C@H](CO)CC(F)F)c1c([O-])c(O)ccc1F ZINC001183174964 843972306 /nfs/dbraw/zinc/97/23/06/843972306.db2.gz BCBASSLZLZVQHA-YFKPBYRVSA-N -1 1 279.214 0.983 20 10 CCCDMM O=C(NC1=CCOC1=O)c1ccc(O)c([O-])c1Cl ZINC001193247080 846033575 /nfs/dbraw/zinc/03/35/75/846033575.db2.gz KCUDSGOAQRTJNO-UHFFFAOYSA-N -1 1 269.640 0.922 20 10 CCCDMM NC(=O)N1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193225622 846038605 /nfs/dbraw/zinc/03/86/05/846038605.db2.gz PVUHPGFMTNGXRO-UHFFFAOYSA-N -1 1 299.714 0.588 20 10 CCCDMM CCNC(=O)NCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295680966 353912139 /nfs/dbraw/zinc/91/21/39/353912139.db2.gz VNODVEQGMDPESI-UHFFFAOYSA-N -1 1 285.275 0.286 20 10 CCCDMM COCc1nn(CC(=O)c2ccc([O-])c(O)c2)c(=O)o1 ZINC000272059351 263001625 /nfs/dbraw/zinc/00/16/25/263001625.db2.gz OVEUQMWQZVSSFC-UHFFFAOYSA-N -1 1 280.236 0.277 20 10 CCCDMM COC[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])OC ZINC000295719550 328286834 /nfs/dbraw/zinc/28/68/34/328286834.db2.gz TZTWJZBTVUALHT-ZETCQYMHSA-N -1 1 273.260 0.628 20 10 CCCDMM COC[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])OC ZINC000295719544 328286844 /nfs/dbraw/zinc/28/68/44/328286844.db2.gz TZTWJZBTVUALHT-SSDOTTSWSA-N -1 1 273.260 0.628 20 10 CCCDMM CCCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000048392310 521697778 /nfs/dbraw/zinc/69/77/78/521697778.db2.gz COMYHOMMRSEWHS-TWGQIWQCSA-N -1 1 269.370 0.769 20 10 CCCDMM CCN1CC(=O)N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000788690712 581122700 /nfs/dbraw/zinc/12/27/00/581122700.db2.gz NCLBVVIVKNTPPY-GFCCVEGCSA-N -1 1 264.281 0.629 20 10 CCCDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](CO)O1 ZINC000817767587 614596905 /nfs/dbraw/zinc/59/69/05/614596905.db2.gz ZWBXZBWXEHFVCH-MRVPVSSYSA-N -1 1 299.298 0.849 20 10 CCCDMM CN(C)C(=O)OCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857315866 615989963 /nfs/dbraw/zinc/98/99/63/615989963.db2.gz HHHYDBZVGPGEIC-UHFFFAOYSA-N -1 1 286.259 0.665 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCCn2nncc2C1 ZINC000899335258 633805352 /nfs/dbraw/zinc/80/53/52/633805352.db2.gz VWVKSJKGMKIVPD-UHFFFAOYSA-N -1 1 292.270 0.875 20 10 CCCDMM Cn1nc2c(c1C=C1SC(=S)[N-]C1=O)COCC2 ZINC000899336187 633805427 /nfs/dbraw/zinc/80/54/27/633805427.db2.gz PZIJEUIKYWGVRA-RUDMXATFSA-N -1 1 281.362 0.982 20 10 CCCDMM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1c(F)ccc(O)c1[O-] ZINC000900691395 634071773 /nfs/dbraw/zinc/07/17/73/634071773.db2.gz RAYMMYMJCZGCBV-FYBVGQRMSA-N -1 1 297.282 0.771 20 10 CCCDMM O=C(COC(=O)[C@H]1CCCC(=O)N1)c1ccc([O-])c(O)c1 ZINC000800244275 640605212 /nfs/dbraw/zinc/60/52/12/640605212.db2.gz QXYGIFXMWMESQI-SECBINFHSA-N -1 1 293.275 0.492 20 10 CCCDMM O=C(CNC(=O)C1CCOCC1)c1ccc([O-])c(O)c1 ZINC001143020727 800185538 /nfs/dbraw/zinc/18/55/38/800185538.db2.gz XWSUNWNFHMGSRH-UHFFFAOYSA-N -1 1 279.292 0.823 20 10 CCCDMM COC(=O)CS(=O)(=O)[N-]c1cc(F)c(O)cc1F ZINC001259026256 808723670 /nfs/dbraw/zinc/72/36/70/808723670.db2.gz MNNFDROXYBRBNI-UHFFFAOYSA-N -1 1 281.236 0.585 20 10 CCCDMM CO[C@H](C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181460033 843494199 /nfs/dbraw/zinc/49/41/99/843494199.db2.gz XCMMETFBSRTODK-SSDOTTSWSA-N -1 1 253.254 0.432 20 10 CCCDMM O=C(CNC(=O)c1cnc(=O)[nH]c1)c1ccc([O-])c(O)c1 ZINC001191184874 845613736 /nfs/dbraw/zinc/61/37/36/845613736.db2.gz PEZJIBQQEVZNAM-UHFFFAOYSA-N -1 1 289.247 0.206 20 10 CCCDMM CN1C[C@@H](CNC(=O)c2ccc(O)c([O-])c2Cl)CC1=O ZINC001193236761 846030447 /nfs/dbraw/zinc/03/04/47/846030447.db2.gz QDRQGUUVQWNPRT-SSDOTTSWSA-N -1 1 298.726 0.959 20 10 CCCDMM Cc1cncnc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195370233 846518346 /nfs/dbraw/zinc/51/83/46/846518346.db2.gz SPSRSJWVPJNRKQ-UHFFFAOYSA-N -1 1 287.275 0.809 20 10 CCCDMM CN1C[C@@H]2CN(Cc3ccc(C(=O)[O-])cc3O)C[C@H](C1)O2 ZINC001276008833 848888903 /nfs/dbraw/zinc/88/89/03/848888903.db2.gz CPMIUQSGUVWCQA-BETUJISGSA-N -1 1 292.335 0.605 20 10 CCCDMM O=C(CCCc1nn[n-]n1)NCc1ccccc1O ZINC001137471544 853806456 /nfs/dbraw/zinc/80/64/56/853806456.db2.gz PUZJXGBDEBXFML-UHFFFAOYSA-N -1 1 261.285 0.544 20 10 CCCDMM C[S@](=O)c1nncn1CC(=O)c1ccc([O-])c(O)c1 ZINC001116192016 855728974 /nfs/dbraw/zinc/72/89/74/855728974.db2.gz UCTFJRKKVKEVJT-IBGZPJMESA-N -1 1 281.293 0.310 20 10 CCCDMM COc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])c1 ZINC001599598957 993787826 /nfs/dbraw/zinc/78/78/26/993787826.db2.gz WZQOLEWUMNJRKW-GXSJLCMTSA-N -1 1 267.281 0.421 20 10 CCCDMM CCN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000294991412 199288600 /nfs/dbraw/zinc/28/86/00/199288600.db2.gz QIIMTZWBPNKILQ-UHFFFAOYSA-N -1 1 282.271 0.541 20 10 CCCDMM CC(C)N1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000295054196 199321892 /nfs/dbraw/zinc/32/18/92/199321892.db2.gz KGGOZXMSQCOZSF-MRVPVSSYSA-N -1 1 296.298 0.976 20 10 CCCDMM COCC1(O)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295506373 353898850 /nfs/dbraw/zinc/89/88/50/353898850.db2.gz GTQQTZHCLTUOKU-UHFFFAOYSA-N -1 1 271.244 0.070 20 10 CCCDMM CCN1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000296721942 199978137 /nfs/dbraw/zinc/97/81/37/199978137.db2.gz NDEUOZAPFNGVQV-UHFFFAOYSA-N -1 1 296.298 0.931 20 10 CCCDMM CC(C)N1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1=O ZINC000295379037 389004650 /nfs/dbraw/zinc/00/46/50/389004650.db2.gz 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COc1cccc(CNC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000048403079 631711228 /nfs/dbraw/zinc/71/12/28/631711228.db2.gz ANTIDTMXZFTSLC-UHFFFAOYSA-N -1 1 291.332 0.200 20 10 CCCDMM O=C([O-])CN(Cc1ccccc1O)C(=O)CN1CCCC1 ZINC000911484813 636276434 /nfs/dbraw/zinc/27/64/34/636276434.db2.gz RPHMVMUQAHZNLN-UHFFFAOYSA-N -1 1 292.335 0.901 20 10 CCCDMM CCOCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590115 637908613 /nfs/dbraw/zinc/90/86/13/637908613.db2.gz KYJFRZLADMCVNL-UHFFFAOYSA-N -1 1 254.238 0.860 20 10 CCCDMM C[C@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC(=O)N1 ZINC000839790341 640362953 /nfs/dbraw/zinc/36/29/53/640362953.db2.gz AFDDNVSGKLHRAJ-CYBMUJFWSA-N -1 1 282.271 0.635 20 10 CCCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])S(C)(=O)=O ZINC000857340287 644499910 /nfs/dbraw/zinc/49/99/10/644499910.db2.gz PCBUPBAPNCVIKJ-ZCFIWIBFSA-N -1 1 291.300 0.400 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCNC(=O)C1 ZINC000881466376 647319821 /nfs/dbraw/zinc/31/98/21/647319821.db2.gz UQSIZYGNNWCFQO-UHFFFAOYSA-N -1 1 268.244 0.199 20 10 CCCDMM NC(=O)[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237950565 806737890 /nfs/dbraw/zinc/73/78/90/806737890.db2.gz WUCRFKNIYASRLJ-LLVKDONJSA-N -1 1 288.706 0.871 20 10 CCCDMM NC(=O)[C@@H]1C[C@H](F)CN1Cc1cccc(F)c1[O-] ZINC001138127414 799703300 /nfs/dbraw/zinc/70/33/00/799703300.db2.gz AEZVPVUPOIYVAA-WPRPVWTQSA-N -1 1 256.252 0.929 20 10 CCCDMM CN1CC2(CN(Cc3cc(F)c(F)cc3[O-])C2)OCC1=O ZINC001273378353 822036676 /nfs/dbraw/zinc/03/66/76/822036676.db2.gz KONJRAFXJKEZEW-UHFFFAOYSA-N -1 1 298.289 0.713 20 10 CCCDMM CN(CCC(N)=O)C(=O)c1c([O-])c(O)ccc1F ZINC001183414794 844018966 /nfs/dbraw/zinc/01/89/66/844018966.db2.gz DJVMOVRXDHMTGR-UHFFFAOYSA-N -1 1 256.233 0.184 20 10 CCCDMM CCOC(=O)[C@@H](C)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184228154 844182411 /nfs/dbraw/zinc/18/24/11/844182411.db2.gz KNELHBBLLKVHKM-QMMMGPOBSA-N -1 1 295.291 0.596 20 10 CCCDMM Cn1cc(NCC(=O)c2ccc([O-])c(O)c2)ncc1=O ZINC001170315171 837301864 /nfs/dbraw/zinc/30/18/64/837301864.db2.gz RMBGXPDQJDVPSS-UHFFFAOYSA-N -1 1 275.264 0.486 20 10 CCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCn2cnnc2C1 ZINC001193208983 846019454 /nfs/dbraw/zinc/01/94/54/846019454.db2.gz DHQBSXUSAJSKHB-UHFFFAOYSA-N -1 1 294.698 0.999 20 10 CCCDMM Cn1[nH]cnc1=NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209280 846022063 /nfs/dbraw/zinc/02/20/63/846022063.db2.gz HUBWEJPZUQYMAF-UHFFFAOYSA-N -1 1 268.660 0.554 20 10 CCCDMM CCN(C)C(=O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295627530 353908452 /nfs/dbraw/zinc/90/84/52/353908452.db2.gz AWYRJTHZFILOTL-UHFFFAOYSA-N -1 1 270.260 0.445 20 10 CCCDMM COC(=O)C1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295696094 353912995 /nfs/dbraw/zinc/91/29/95/353912995.db2.gz ISDOJNBSUFEZHW-UHFFFAOYSA-N -1 1 283.255 0.920 20 10 CCCDMM O=C(NC[C@@H](O)[C@@H]1CCCO1)c1c(F)ccc(O)c1[O-] ZINC000530273157 285587019 /nfs/dbraw/zinc/58/70/19/285587019.db2.gz LCTXWUWNHFLVKA-ZJUUUORDSA-N -1 1 285.271 0.507 20 10 CCCDMM COCCN1C(=O)C(=CNCCC(C)C)C(=O)[N-]C1=S ZINC000048403167 523787432 /nfs/dbraw/zinc/78/74/32/523787432.db2.gz LORUGQBXLCUKDX-NTMALXAHSA-N -1 1 299.396 0.396 20 10 CCCDMM O=C(NCCN1CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276782946 526318094 /nfs/dbraw/zinc/31/80/94/526318094.db2.gz ZQBHEZREGBZFOW-UHFFFAOYSA-N -1 1 284.287 0.299 20 10 CCCDMM O=C(Cn1cccn1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782220054 581293067 /nfs/dbraw/zinc/29/30/67/581293067.db2.gz SDLMVIKGFLUBEQ-UHFFFAOYSA-N -1 1 276.248 0.720 20 10 CCCDMM CN1CCO[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759588 616252642 /nfs/dbraw/zinc/25/26/42/616252642.db2.gz DAPHCVQTMYSDED-LLVKDONJSA-N -1 1 284.743 0.992 20 10 CCCDMM CO[C@H]1CCCN(NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000900662819 617096825 /nfs/dbraw/zinc/09/68/25/617096825.db2.gz IYVNWXUKNPEHCC-QMMMGPOBSA-N -1 1 284.287 0.993 20 10 CCCDMM Cn1nccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000124128654 646279497 /nfs/dbraw/zinc/27/94/97/646279497.db2.gz KMELJBNFPCBLDN-UHFFFAOYSA-N -1 1 297.292 0.625 20 10 CCCDMM O=C1[N-]C(=S)NC(=O)C1=CNCc1ccc(Cl)cc1 ZINC000048402907 649321245 /nfs/dbraw/zinc/32/12/45/649321245.db2.gz KVKOPBRHFKLVBQ-UHFFFAOYSA-N -1 1 295.751 0.844 20 10 CCCDMM Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cnn1C ZINC001147477524 840596459 /nfs/dbraw/zinc/59/64/59/840596459.db2.gz NVZYHAWPSBSHJJ-UHFFFAOYSA-N -1 1 289.291 0.752 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](O)C1 ZINC001349651116 925016500 /nfs/dbraw/zinc/01/65/00/925016500.db2.gz UTONTFMJXHWHGB-SSDOTTSWSA-N -1 1 255.245 0.834 20 10 CCCDMM CN(Cc1ccccc1O)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC001350394774 925186738 /nfs/dbraw/zinc/18/67/38/925186738.db2.gz RWEYOLYODWSDMF-LLVKDONJSA-N -1 1 278.308 0.510 20 10 CCCDMM CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nn[n-]n1 ZINC001449117296 931075062 /nfs/dbraw/zinc/07/50/62/931075062.db2.gz GYYFHIZHKFZFDH-UHFFFAOYSA-N -1 1 296.327 0.640 20 10 CCCDMM CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1O ZINC000286019707 353562390 /nfs/dbraw/zinc/56/23/90/353562390.db2.gz PUWZBWPOMYDSAX-CHWSQXEVSA-N -1 1 283.299 0.925 20 10 CCCDMM COCC[N@H+](CC(=O)N(C)C)Cc1ccccc1O 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NS(=O)(=O)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000785985200 581426266 /nfs/dbraw/zinc/42/62/66/581426266.db2.gz MISNLUXIISROOC-VIFPVBQESA-N -1 1 290.772 0.908 20 10 CCCDMM C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)c1nn[n-]n1 ZINC000735998529 581681707 /nfs/dbraw/zinc/68/17/07/581681707.db2.gz PDAPSEMRYWLPIK-LURJTMIESA-N -1 1 267.314 0.843 20 10 CCCDMM Cc1cccc(CN2CCO[C@H](C(=O)[O-])C2)c1O ZINC000821112343 598181909 /nfs/dbraw/zinc/18/19/09/598181909.db2.gz SYGRKJDEGQDBAB-NSHDSACASA-N -1 1 251.282 0.986 20 10 CCCDMM CN1CCO[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759589 616259490 /nfs/dbraw/zinc/25/94/90/616259490.db2.gz DAPHCVQTMYSDED-NSHDSACASA-N -1 1 284.743 0.992 20 10 CCCDMM CNC(=O)NCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759292 616727452 /nfs/dbraw/zinc/72/74/52/616727452.db2.gz JKHGLFGCYXMIST-UHFFFAOYSA-N -1 1 285.731 0.981 20 10 CCCDMM Cn1cnn(CC(=O)NCc2cccc(Cl)c2[O-])c1=O ZINC000890760666 624628219 /nfs/dbraw/zinc/62/82/19/624628219.db2.gz VLOPOHQNHUAEQB-UHFFFAOYSA-N -1 1 296.714 0.257 20 10 CCCDMM O=C(CN1CC(=O)NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890760404 624628708 /nfs/dbraw/zinc/62/87/08/624628708.db2.gz QXTLLIRHNZBRQK-UHFFFAOYSA-N -1 1 297.698 0.214 20 10 CCCDMM O=C(C[C@@H]1CC(=O)NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890761679 624629059 /nfs/dbraw/zinc/62/90/59/624629059.db2.gz VOKKDZRBGPXNFW-MRVPVSSYSA-N -1 1 296.710 0.715 20 10 CCCDMM O=C(COC(=O)C1=COCCO1)c1ccc([O-])c(O)c1 ZINC000916590219 637908345 /nfs/dbraw/zinc/90/83/45/637908345.db2.gz LAEZFFVEUYPWRU-UHFFFAOYSA-N -1 1 280.232 0.712 20 10 CCCDMM O=C(NCCCOCCO)c1c(F)ccc(O)c1[O-] ZINC000828113369 642065853 /nfs/dbraw/zinc/06/58/53/642065853.db2.gz HYRRFJVSLZAREL-UHFFFAOYSA-N -1 1 273.260 0.366 20 10 CCCDMM Nc1ccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000843442092 643057619 /nfs/dbraw/zinc/05/76/19/643057619.db2.gz AVKYVFDEZRNWPZ-UHFFFAOYSA-N -1 1 286.339 0.910 20 10 CCCDMM O=C([O-])c1ccc(CN2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001231445643 805803657 /nfs/dbraw/zinc/80/36/57/805803657.db2.gz AEXSVCIMZWANQX-GHMZBOCLSA-N -1 1 269.272 0.995 20 10 CCCDMM NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452247 805807512 /nfs/dbraw/zinc/80/75/12/805807512.db2.gz INKAPUUFDUHTQO-SNVBAGLBSA-N -1 1 264.281 0.398 20 10 CCCDMM O=C([O-])c1ccc(O)c(CN2CC[C@@](F)(CO)C2)c1 ZINC001231560335 805816707 /nfs/dbraw/zinc/81/67/07/805816707.db2.gz HAPWFQOZAVJNHO-ZDUSSCGKSA-N -1 1 269.272 0.997 20 10 CCCDMM CN(C)C(=O)CN(C)Cc1cc(C(=O)[O-])ccc1O ZINC001231563784 805818364 /nfs/dbraw/zinc/81/83/64/805818364.db2.gz LQLWVCYZKYHKSL-UHFFFAOYSA-N -1 1 266.297 0.610 20 10 CCCDMM NC(=O)[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231564788 805819086 /nfs/dbraw/zinc/81/90/86/805819086.db2.gz YHVICYBZCNLPSO-NSHDSACASA-N -1 1 278.308 0.930 20 10 CCCDMM C[C@@H]1C(=O)NCCN1Cc1c([O-])ccc(F)c1F ZINC001233334415 806043648 /nfs/dbraw/zinc/04/36/48/806043648.db2.gz GAMUHMIVCRAHME-SSDOTTSWSA-N -1 1 256.252 0.991 20 10 CCCDMM NC(=O)CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137839158 799690063 /nfs/dbraw/zinc/69/00/63/799690063.db2.gz UDWJYHOPGKBRDJ-UHFFFAOYSA-N -1 1 267.304 0.134 20 10 CCCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CC(CO)C1 ZINC001155225743 800934645 /nfs/dbraw/zinc/93/46/45/800934645.db2.gz NRLLETQPNKWEDC-UHFFFAOYSA-N -1 1 291.259 0.269 20 10 CCCDMM CNOCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234546 800936627 /nfs/dbraw/zinc/93/66/27/800936627.db2.gz OUGLMLCAWRWHEO-UHFFFAOYSA-N -1 1 294.263 0.085 20 10 CCCDMM O=C(NCCC1(O)CCOCC1)c1c(F)ccc(O)c1[O-] ZINC001161305984 802121770 /nfs/dbraw/zinc/12/17/70/802121770.db2.gz SDOWKUGLMUKMHN-UHFFFAOYSA-N -1 1 299.298 0.898 20 10 CCCDMM COC(=O)CS(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001259024635 808722981 /nfs/dbraw/zinc/72/29/81/808722981.db2.gz CRGCVJMNXODEND-UHFFFAOYSA-N -1 1 281.236 0.585 20 10 CCCDMM O=C([O-])[C@H]1CCCN(CC(=O)NCc2ccccc2O)C1 ZINC001262180828 809225975 /nfs/dbraw/zinc/22/59/75/809225975.db2.gz QALZRZZQUVJTHU-LBPRGKRZSA-N -1 1 292.335 0.805 20 10 CCCDMM CN(C)C(=O)CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837410 819491884 /nfs/dbraw/zinc/49/18/84/819491884.db2.gz FZIKNFQAXJFJDM-UHFFFAOYSA-N -1 1 295.358 0.737 20 10 CCCDMM O=C(CNc1c[n+]([O-])ccn1)c1ccc([O-])c(O)c1 ZINC001170316811 837302272 /nfs/dbraw/zinc/30/22/72/837302272.db2.gz PKRHQGXZWKIISR-UHFFFAOYSA-N -1 1 261.237 0.421 20 10 CCCDMM CC(C)C[C@H](O)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144184043 839975566 /nfs/dbraw/zinc/97/55/66/839975566.db2.gz PZXLGJCEUHYCBH-LBPRGKRZSA-N -1 1 281.308 0.804 20 10 CCCDMM CO[C@H](C)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181595475 843545766 /nfs/dbraw/zinc/54/57/66/843545766.db2.gz YHNPGRMMJDTTGI-MRVPVSSYSA-N -1 1 267.281 0.822 20 10 CCCDMM C=CC(=O)NCCNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236771 846030740 /nfs/dbraw/zinc/03/07/40/846030740.db2.gz QJSGZKCHJDGNFR-UHFFFAOYSA-N -1 1 284.699 0.783 20 10 CCCDMM CN(C)C(=O)NCCN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC001306754225 908261687 /nfs/dbraw/zinc/26/16/87/908261687.db2.gz XNBMDQOJLQAGAL-UHFFFAOYSA-N -1 1 299.302 0.580 20 10 CCCDMM C[C@@H](NCc1nnn(C)n1)c1c([O-])cccc1F ZINC001353354042 925809643 /nfs/dbraw/zinc/80/96/43/925809643.db2.gz NCJLSVQKPQYPPN-SSDOTTSWSA-N -1 1 251.265 0.906 20 10 CCCDMM O=C(CNC(=O)c1c(F)ccc(O)c1[O-])N1CCCCC1 ZINC000276632238 526851307 /nfs/dbraw/zinc/85/13/07/526851307.db2.gz SXGHKDQGNLEINK-UHFFFAOYSA-N -1 1 296.298 0.979 20 10 CCCDMM Cn1cc(CNC(=O)c2c(F)ccc(O)c2[O-])cn1 ZINC000789967734 581167495 /nfs/dbraw/zinc/16/74/95/581167495.db2.gz NHAPBSBTLQMWNR-UHFFFAOYSA-N -1 1 265.244 0.900 20 10 CCCDMM CCCNC(=O)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789957974 581166489 /nfs/dbraw/zinc/16/64/89/581166489.db2.gz ITRUPWKTGXTKHN-UHFFFAOYSA-N -1 1 284.287 0.883 20 10 CCCDMM COC(=O)C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000784742471 581393883 /nfs/dbraw/zinc/39/38/83/581393883.db2.gz RCDJORFPZHDXEX-UHFFFAOYSA-N -1 1 294.259 0.777 20 10 CCCDMM C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786061075 581428523 /nfs/dbraw/zinc/42/85/23/581428523.db2.gz BFTKPWZZOSZVOX-KGFZYKRKSA-N -1 1 295.247 0.321 20 10 CCCDMM C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786061074 581428669 /nfs/dbraw/zinc/42/86/69/581428669.db2.gz BFTKPWZZOSZVOX-KBUNVGBDSA-N -1 1 295.247 0.321 20 10 CCCDMM CCn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000815427616 615692914 /nfs/dbraw/zinc/69/29/14/615692914.db2.gz FYQAVVDEEHJOQC-UHFFFAOYSA-N -1 1 291.263 0.749 20 10 CCCDMM CN(C(=O)c1c(F)ccc(O)c1[O-])[C@@H]1COC[C@H]1O ZINC000899362757 615892675 /nfs/dbraw/zinc/89/26/75/615892675.db2.gz XQAOAPRGSYPLCR-VXNVDRBHSA-N -1 1 271.244 0.069 20 10 CCCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc[nH]n2)c1 ZINC000048924704 631863837 /nfs/dbraw/zinc/86/38/37/631863837.db2.gz KTVFDUANBLNPJU-UHFFFAOYSA-N -1 1 297.296 0.134 20 10 CCCDMM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1c(F)ccc(O)c1[O-] ZINC000900691400 634071622 /nfs/dbraw/zinc/07/16/22/634071622.db2.gz RAYMMYMJCZGCBV-XLDPMVHQSA-N -1 1 297.282 0.771 20 10 CCCDMM O=C(NC[C@H]1COCCO1)c1c(F)ccc(O)c1[O-] ZINC000825504387 641891472 /nfs/dbraw/zinc/89/14/72/641891472.db2.gz ZUCXDDXNFIFUNT-ZETCQYMHSA-N -1 1 271.244 0.382 20 10 CCCDMM O=C(NCCN1CCCC1=O)c1c(F)ccc(O)c1[O-] ZINC000846658111 643437574 /nfs/dbraw/zinc/43/75/74/643437574.db2.gz GNLQXELFAIHDEI-UHFFFAOYSA-N -1 1 282.271 0.589 20 10 CCCDMM O=C([O-])c1ccc(O)c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC001231560596 805815779 /nfs/dbraw/zinc/81/57/79/805815779.db2.gz KRKALLQCHFSPQQ-MNOVXSKESA-N -1 1 269.272 0.995 20 10 CCCDMM [O-]c1ccc(F)c(F)c1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001233332797 806042063 /nfs/dbraw/zinc/04/20/63/806042063.db2.gz XVTYJEGEELROLP-RDDDGLTNSA-N -1 1 259.252 0.455 20 10 CCCDMM O=S1(=O)CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233332310 806042134 /nfs/dbraw/zinc/04/21/34/806042134.db2.gz GTWIQFAHWZZXJT-UHFFFAOYSA-N -1 1 277.292 0.901 20 10 CCCDMM CCN1C(=O)CN(Cc2c([O-])cccc2F)CC1=O ZINC001137832989 799690202 /nfs/dbraw/zinc/69/02/02/799690202.db2.gz OTKHHHCVHUMTSD-UHFFFAOYSA-N -1 1 266.272 0.722 20 10 CCCDMM CN1CCN(Cc2cc(F)c(F)cc2[O-])CC1=O ZINC001142502234 800126486 /nfs/dbraw/zinc/12/64/86/800126486.db2.gz KIQAGGXJMATVIV-UHFFFAOYSA-N -1 1 256.252 0.944 20 10 CCCDMM CS(=O)(=O)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142525146 815073204 /nfs/dbraw/zinc/07/32/04/815073204.db2.gz ZSMPNKSLVFFGOI-UHFFFAOYSA-N -1 1 277.292 0.899 20 10 CCCDMM O=C1COC[C@H]2CN(Cc3c([O-])cccc3F)CCN12 ZINC001137839144 819629540 /nfs/dbraw/zinc/62/95/40/819629540.db2.gz SYCNQCHEBXHQBN-SNVBAGLBSA-N -1 1 280.299 0.574 20 10 CCCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1N=NC(=O)N1C ZINC001183897398 844108736 /nfs/dbraw/zinc/10/87/36/844108736.db2.gz XMOVDLFMFNVACU-YFKPBYRVSA-N -1 1 296.258 0.562 20 10 CCCDMM CC[C@](C)(O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184268991 844197083 /nfs/dbraw/zinc/19/70/83/844197083.db2.gz PNDNCHURRHKDLU-AWEZNQCLSA-N -1 1 281.308 0.948 20 10 CCCDMM O=C(Cc1c[nH]cn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001176836613 842420581 /nfs/dbraw/zinc/42/05/81/842420581.db2.gz LVISNBIGRFVNHB-UHFFFAOYSA-N -1 1 275.264 0.363 20 10 CCCDMM O=C(CNC(=O)[C@H]1CCC(=O)C1)c1ccc([O-])c(O)c1 ZINC001181905412 843643275 /nfs/dbraw/zinc/64/32/75/843643275.db2.gz XWTAFCLZGIVTFU-VIFPVBQESA-N -1 1 277.276 0.766 20 10 CCCDMM CN(C[C@H](O)CO)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193220554 846023250 /nfs/dbraw/zinc/02/32/50/846023250.db2.gz VRZREQLDHJSESL-LURJTMIESA-N -1 1 275.688 0.176 20 10 CCCDMM O=C(NC[C@H]1CNC(=O)O1)c1ccc(O)c([O-])c1Cl ZINC001193254398 846036325 /nfs/dbraw/zinc/03/63/25/846036325.db2.gz IEPLMBNEHWIZPV-YFKPBYRVSA-N -1 1 286.671 0.589 20 10 CCCDMM CCOC(=O)CS(=O)(=O)[N-]c1ccc(O)c(F)c1F ZINC001195967752 846656913 /nfs/dbraw/zinc/65/69/13/846656913.db2.gz NOFQLPFEXFRPTC-UHFFFAOYSA-N -1 1 295.263 0.975 20 10 CCCDMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C(=O)O1 ZINC001326010621 913696712 /nfs/dbraw/zinc/69/67/12/913696712.db2.gz XGXSXGMNXCMZPT-FSPLSTOPSA-N -1 1 269.228 0.671 20 10 CCCDMM CN(C)c1ccc(CN2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000084163633 957863995 /nfs/dbraw/zinc/86/39/95/957863995.db2.gz HOEJUIIHSRLTHD-QWHCGFSZSA-N -1 1 264.325 0.772 20 10 CCCDMM COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000187569771 351546626 /nfs/dbraw/zinc/54/66/26/351546626.db2.gz NDMYXSDPBAHBRA-GHMZBOCLSA-N -1 1 251.282 0.500 20 10 CCCDMM CN(C)C(=O)CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294862190 353890600 /nfs/dbraw/zinc/89/06/00/353890600.db2.gz OJSGMQNBDKQYKB-UHFFFAOYSA-N -1 1 284.287 0.835 20 10 CCCDMM COc1c([O-])c(CN2CCCNC(=O)C2)ccc1[N+](=O)[O-] ZINC000774856927 582000024 /nfs/dbraw/zinc/00/00/24/582000024.db2.gz HWUFNNVKOAZHQZ-UHFFFAOYSA-N -1 1 295.295 0.631 20 10 CCCDMM COc1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1O ZINC000826216262 617300353 /nfs/dbraw/zinc/30/03/53/617300353.db2.gz QMNMMECQXRBWFT-UHFFFAOYSA-N -1 1 299.294 0.983 20 10 CCCDMM COc1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1O ZINC000826216262 617300355 /nfs/dbraw/zinc/30/03/55/617300355.db2.gz QMNMMECQXRBWFT-UHFFFAOYSA-N -1 1 299.294 0.983 20 10 CCCDMM CCC(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000822434054 614605673 /nfs/dbraw/zinc/60/56/73/614605673.db2.gz MQUSRRQPOILQRS-UHFFFAOYSA-N -1 1 282.271 0.889 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](O)[C@@H](F)C1 ZINC000900838030 634112768 /nfs/dbraw/zinc/11/27/68/634112768.db2.gz HOYBZVBBIIADQO-YUMQZZPRSA-N -1 1 273.235 0.782 20 10 CCCDMM Cn1nncc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000798798714 640527890 /nfs/dbraw/zinc/52/78/90/640527890.db2.gz VUFWQRIIVWFCLH-UHFFFAOYSA-N -1 1 277.236 0.266 20 10 CCCDMM Cc1cc(N(C)C)ccc1CNC(=O)CCc1nn[n-]n1 ZINC000865905118 645436272 /nfs/dbraw/zinc/43/62/72/645436272.db2.gz XLRWRAHIFLARBY-UHFFFAOYSA-N -1 1 288.355 0.823 20 10 CCCDMM O=C([O-])c1ccc(CN2CC(N3CCOCC3)C2)c(O)c1 ZINC001231452221 805807277 /nfs/dbraw/zinc/80/72/77/805807277.db2.gz HMEILPCCPQZUNT-UHFFFAOYSA-N -1 1 292.335 0.607 20 10 CCCDMM COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3O)C[C@@H]21 ZINC001231455624 805807662 /nfs/dbraw/zinc/80/76/62/805807662.db2.gz SBVYYCAMOPYVOP-PJXYFTJBSA-N -1 1 291.303 0.941 20 10 CCCDMM O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c1 ZINC001231566293 805818316 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O=C(CN1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890760098 624628753 /nfs/dbraw/zinc/62/87/53/624628753.db2.gz HUNGSVIFYHGDTJ-UHFFFAOYSA-N -1 1 284.743 0.994 20 10 CCCDMM O=C(C[C@H]1CC(=O)NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890761681 624628919 /nfs/dbraw/zinc/62/89/19/624628919.db2.gz VOKKDZRBGPXNFW-QMMMGPOBSA-N -1 1 296.710 0.715 20 10 CCCDMM C[C@H]1CN(CCNC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000825678824 641904190 /nfs/dbraw/zinc/90/41/90/641904190.db2.gz ILNYJSIRIOYNHP-VIFPVBQESA-N -1 1 298.314 0.687 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@]2(O)C[C@H]2C1 ZINC000857324956 644498881 /nfs/dbraw/zinc/49/88/81/644498881.db2.gz RNIJVIQSCMTNFL-WPPNPWJKSA-N -1 1 267.256 0.834 20 10 CCCDMM [O-]c1c(CN2CCN(CCO)CC2)ccc(F)c1F ZINC000876509814 646615296 /nfs/dbraw/zinc/61/52/96/646615296.db2.gz LHTCNDPSEBKGTM-UHFFFAOYSA-N -1 1 272.295 0.780 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1C[C@H]2C[C@@]2(O)C1 ZINC000882345042 647400165 /nfs/dbraw/zinc/40/01/65/647400165.db2.gz SUANDFKZOOEAKY-SREIQFSDSA-N -1 1 253.229 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CC(C)[C@H](NC=O)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000860380498 614247412 /nfs/dbraw/zinc/24/74/12/614247412.db2.gz IIBXNTYCKWWGIE-ZDUSSCGKSA-N -1 1 295.291 0.594 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CNC(=O)C1 ZINC000895337662 632063363 /nfs/dbraw/zinc/06/33/63/632063363.db2.gz OITWRSHKAVHOED-QMMMGPOBSA-N -1 1 297.742 0.981 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CNC(=O)C1 ZINC000895337661 632063550 /nfs/dbraw/zinc/06/35/50/632063550.db2.gz OITWRSHKAVHOED-MRVPVSSYSA-N -1 1 297.742 0.981 20 10 CCCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)N1 ZINC000834476013 642570852 /nfs/dbraw/zinc/57/08/52/642570852.db2.gz KZPZDHLYLFQUID-MRVPVSSYSA-N -1 1 299.124 0.659 20 10 CCCDMM O=C(COC(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccc([O-])c(O)c1 ZINC000850260121 643790518 /nfs/dbraw/zinc/79/05/18/643790518.db2.gz LAQFIQZHQJZFTQ-WOFXILAISA-N -1 1 278.260 0.716 20 10 CCCDMM CS(=O)(=O)C1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232269071 805916534 /nfs/dbraw/zinc/91/65/34/805916534.db2.gz 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581169372 /nfs/dbraw/zinc/16/93/72/581169372.db2.gz IWBJZRGBHODPKK-GFCCVEGCSA-N -1 1 287.312 0.835 20 10 CCCDMM CC(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000857259917 613524919 /nfs/dbraw/zinc/52/49/19/613524919.db2.gz NBFNHWPJRIHKHL-SECBINFHSA-N -1 1 296.298 0.835 20 10 CCCDMM CS(=O)(=O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758258 624627653 /nfs/dbraw/zinc/62/76/53/624627653.db2.gz UBTNDJZHZWWBSJ-UHFFFAOYSA-N -1 1 277.729 0.706 20 10 CCCDMM O=C(C[C@@H]1CC(=O)N1)NCc1cccc(Cl)c1[O-] ZINC000890761056 624628317 /nfs/dbraw/zinc/62/83/17/624628317.db2.gz JMZSUTOWNDREHT-MRVPVSSYSA-N -1 1 268.700 0.940 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](O)[C@H](F)C1 ZINC000900838027 634112348 /nfs/dbraw/zinc/11/23/48/634112348.db2.gz HOYBZVBBIIADQO-HTQZYQBOSA-N -1 1 273.235 0.782 20 10 CCCDMM O=C([N-]OCCN1CCCC1=O)C1=CC(=O)CS1 ZINC000856044778 644387380 /nfs/dbraw/zinc/38/73/80/644387380.db2.gz WNAPTTFQFNULHP-UHFFFAOYSA-N -1 1 270.310 0.738 20 10 CCCDMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccnc1Cl 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CCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@H](O)C[C@@H]1CO ZINC001193247268 846033093 /nfs/dbraw/zinc/03/30/93/846033093.db2.gz RITAEXAWYLEQHD-RNFRBKRXSA-N -1 1 287.699 0.319 20 10 CCCDMM NC(=O)N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001118826997 856456047 /nfs/dbraw/zinc/45/60/47/856456047.db2.gz HQMDARINTPICQJ-SSDOTTSWSA-N -1 1 297.286 0.367 20 10 CCCDMM COC(OC)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000298482550 353963262 /nfs/dbraw/zinc/96/32/62/353963262.db2.gz RUIQRTGEOLNTBA-LURJTMIESA-N -1 1 273.260 0.974 20 10 CCCDMM CCC[C@@H](NC(=O)Cc1ccc(N)cc1)c1nn[n-]n1 ZINC000236847131 328003230 /nfs/dbraw/zinc/00/32/30/328003230.db2.gz IQCYXBSXXCOXTF-LLVKDONJSA-N -1 1 274.328 0.982 20 10 CCCDMM CC(C)[C@@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276569152 519801126 /nfs/dbraw/zinc/80/11/26/519801126.db2.gz KHBIXDYIMFTBKI-VIFPVBQESA-N -1 1 257.261 0.984 20 10 CCCDMM COc1c([O-])c([C@H]2NC(=O)CN2C)ccc1[N+](=O)[O-] ZINC000277862065 521883185 /nfs/dbraw/zinc/88/31/85/521883185.db2.gz 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295.291 0.536 20 10 CCCDMM O=C1CN(Cc2cccc(F)c2[O-])CC(=O)N1C1CC1 ZINC001138124063 799702375 /nfs/dbraw/zinc/70/23/75/799702375.db2.gz XOMQTRFAIIIESW-UHFFFAOYSA-N -1 1 278.283 0.865 20 10 CCCDMM Cn1cncc1[C@@H](CO)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001161646174 802192099 /nfs/dbraw/zinc/19/20/99/802192099.db2.gz MGPVOKXIMAHCSF-MRVPVSSYSA-N -1 1 295.270 0.434 20 10 CCCDMM CC[C@H](C)S(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001260751006 808883680 /nfs/dbraw/zinc/88/36/80/808883680.db2.gz SDRHCJIRSGFLLR-QMMMGPOBSA-N -1 1 287.337 0.998 20 10 CCCDMM NC(=O)[C@@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137838481 819593418 /nfs/dbraw/zinc/59/34/18/819593418.db2.gz BLIHCXUHFDOYCC-NSHDSACASA-N -1 1 254.261 0.217 20 10 CCCDMM O=C(CNC(=O)c1cnc[nH]1)c1ccc([O-])c(O)c1 ZINC001147261653 840541598 /nfs/dbraw/zinc/54/15/98/840541598.db2.gz ZLJTWQCUHONLBZ-UHFFFAOYSA-N -1 1 261.237 0.434 20 10 CCCDMM C[C@@H](O)[C@@H](CO)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209183 846022349 /nfs/dbraw/zinc/02/23/49/846022349.db2.gz 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289.316 0.716 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN2CCOC[C@H]2C1 ZINC000828372985 642088732 /nfs/dbraw/zinc/08/87/32/642088732.db2.gz ODQOVZVRXKXGHJ-SECBINFHSA-N -1 1 296.298 0.394 20 10 CCCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](CO)O1 ZINC000830069709 642228775 /nfs/dbraw/zinc/22/87/75/642228775.db2.gz SFBZVARNLRIOGT-YUMQZZPRSA-N -1 1 285.271 0.459 20 10 CCCDMM O=C(NCC[C@@]1(O)CCOC1)c1c(F)ccc(O)c1[O-] ZINC000846659229 643437769 /nfs/dbraw/zinc/43/77/69/643437769.db2.gz PWNBZJNCEMQJEG-CYBMUJFWSA-N -1 1 285.271 0.508 20 10 CCCDMM NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452315 805805330 /nfs/dbraw/zinc/80/53/30/805805330.db2.gz KZDVLEMEHGLHHU-NSHDSACASA-N -1 1 278.308 0.930 20 10 CCCDMM O=C1CN(Cc2cc(Cl)c([O-])cc2O)CCN1 ZINC001232259390 805915390 /nfs/dbraw/zinc/91/53/90/805915390.db2.gz IJWNDKXBIPSJNK-UHFFFAOYSA-N -1 1 256.689 0.683 20 10 CCCDMM Nc1ccc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)nc1 ZINC001159185402 801770669 /nfs/dbraw/zinc/77/06/69/801770669.db2.gz HKLASUVGKREFML-UHFFFAOYSA-N -1 1 259.229 0.437 20 10 CCCDMM C[C@H](Cn1cncn1)NC(=O)c1c([O-])c(O)ccc1F ZINC001160664242 801994095 /nfs/dbraw/zinc/99/40/95/801994095.db2.gz BFKQYWTVEOGUIU-SSDOTTSWSA-N -1 1 280.259 0.647 20 10 CCCDMM COCCCNC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001245638273 807093464 /nfs/dbraw/zinc/09/34/64/807093464.db2.gz SCGAPCSUOQWNOO-UHFFFAOYSA-N -1 1 298.364 0.781 20 10 CCCDMM O=C(NC[C@@H](O)CF)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235952 822101114 /nfs/dbraw/zinc/10/11/14/822101114.db2.gz WAAYNQHZYKBAOR-ZETCQYMHSA-N -1 1 297.238 0.264 20 10 CCCDMM Nc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170315153 837300480 /nfs/dbraw/zinc/30/04/80/837300480.db2.gz QMXDXFOMVMUEEF-UHFFFAOYSA-N -1 1 260.253 0.765 20 10 CCCDMM N=c1ccc(F)c(N)n1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582087 840849631 /nfs/dbraw/zinc/84/96/31/840849631.db2.gz WKFGBDVPBJXHPZ-UHFFFAOYSA-N -1 1 279.227 0.494 20 10 CCCDMM O=C(CNC(=O)C1CC2(COC2)C1)c1ccc([O-])c(O)c1 ZINC001181617262 843556004 /nfs/dbraw/zinc/55/60/04/843556004.db2.gz WHWDXNRAYIGOCZ-UHFFFAOYSA-N -1 1 291.303 0.823 20 10 CCCDMM Cc1noc(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001182637534 843871214 /nfs/dbraw/zinc/87/12/14/843871214.db2.gz REZXWALWFCLDKY-UHFFFAOYSA-N -1 1 267.216 0.858 20 10 CCCDMM O=C(CNC(=O)[C@@H]1CCC=N1)c1ccc([O-])c(O)c1 ZINC001187378632 844712600 /nfs/dbraw/zinc/71/26/00/844712600.db2.gz PSMPXHHZILHKDN-VIFPVBQESA-N -1 1 262.265 0.630 20 10 CCCDMM CN1CC(NC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193236722 846030845 /nfs/dbraw/zinc/03/08/45/846030845.db2.gz OREHAFRSRZULJB-UHFFFAOYSA-N -1 1 256.689 0.795 20 10 CCCDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001194061700 846207522 /nfs/dbraw/zinc/20/75/22/846207522.db2.gz GFFLGIBDYLTSSG-UHFFFAOYSA-N -1 1 287.275 0.809 20 10 CCCDMM COc1cc(C)cc(CN2C[C@H](O)C[C@@H]2C(=O)[O-])c1O ZINC001599391671 997048734 /nfs/dbraw/zinc/04/87/34/997048734.db2.gz CNKADVIUWXCXDA-GHMZBOCLSA-N -1 1 281.308 0.729 20 10 CCCDMM CCN(C)C(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295538213 353902223 /nfs/dbraw/zinc/90/22/23/353902223.db2.gz VYOOWOLKEHWVIP-SSDOTTSWSA-N -1 1 284.287 0.834 20 10 CCCDMM CC(C)CN1C(=O)C(=CNC2CC2)C(=O)[N-]C1=S ZINC000048402983 388890894 /nfs/dbraw/zinc/89/08/94/388890894.db2.gz PTBPGEMZJOOQNA-UITAMQMPSA-N -1 1 267.354 0.522 20 10 CCCDMM C[C@@H](C[S@@](C)=O)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000278750564 524871837 /nfs/dbraw/zinc/87/18/37/524871837.db2.gz MJOFASVOQZMFQH-AHGSNSTDSA-N -1 1 275.301 0.734 20 10 CCCDMM O=C(NC[C@@]1(O)CCSC1)c1c(F)ccc(O)c1[O-] ZINC000789991880 581169559 /nfs/dbraw/zinc/16/95/59/581169559.db2.gz IWBJZRGBHODPKK-LBPRGKRZSA-N -1 1 287.312 0.835 20 10 CCCDMM COCCCOCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784543463 581387877 /nfs/dbraw/zinc/38/78/77/581387877.db2.gz DCWMOLPWDRSKNC-UHFFFAOYSA-N -1 1 298.291 0.877 20 10 CCCDMM CN1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1=O ZINC000784788239 581395139 /nfs/dbraw/zinc/39/51/39/581395139.db2.gz WXSSQNNGQCGOFM-VIFPVBQESA-N -1 1 293.275 0.302 20 10 CCCDMM O=C(C1=CC(=O)CS1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000738246652 582031617 /nfs/dbraw/zinc/03/16/17/582031617.db2.gz HFKCFGBDUMQRIB-ZETCQYMHSA-N -1 1 281.297 0.181 20 10 CCCDMM CC(=O)NCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758838 613712024 /nfs/dbraw/zinc/71/20/24/613712024.db2.gz XZQOKSURXWWUAH-UHFFFAOYSA-N -1 1 256.689 0.798 20 10 CCCDMM O=C(CO)NCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890762378 624629264 /nfs/dbraw/zinc/62/92/64/624629264.db2.gz AUIQUHFZUXNNSI-UHFFFAOYSA-N -1 1 286.715 0.160 20 10 CCCDMM COc1ccc(CNC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000048403001 649320960 /nfs/dbraw/zinc/32/09/60/649320960.db2.gz NHDZKHXPVKLMMK-UHFFFAOYSA-N -1 1 291.332 0.200 20 10 CCCDMM O=C([O-])c1ccc(O)c(CN2CC(N3CCOCC3)C2)c1 ZINC001231564748 805818933 /nfs/dbraw/zinc/81/89/33/805818933.db2.gz WQMMASKIQANINB-UHFFFAOYSA-N -1 1 292.335 0.607 20 10 CCCDMM [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001233332618 806043730 /nfs/dbraw/zinc/04/37/30/806043730.db2.gz RJBIQTDEFMQAOZ-LDYMZIIASA-N -1 1 273.279 0.846 20 10 CCCDMM CCN1C(=O)CN(Cc2cccc(F)c2[O-])CC1=O ZINC001138123734 799702393 /nfs/dbraw/zinc/70/23/93/799702393.db2.gz JEPBPCKDNSRAKC-UHFFFAOYSA-N -1 1 266.272 0.722 20 10 CCCDMM COC(=O)[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC001140342534 799904692 /nfs/dbraw/zinc/90/46/92/799904692.db2.gz ODLLRYGIXJIRDH-NSHDSACASA-N -1 1 298.726 0.519 20 10 CCCDMM CN1CC2(CN(Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273266176 821506772 /nfs/dbraw/zinc/50/67/72/821506772.db2.gz RQWVTMOLUINAOB-UHFFFAOYSA-N -1 1 280.299 0.574 20 10 CCCDMM O=C(CNC(=O)c1cc(=O)cco1)c1ccc([O-])c(O)c1 ZINC001147614059 840648476 /nfs/dbraw/zinc/64/84/76/840648476.db2.gz CYPDUZFXKVSMKG-UHFFFAOYSA-N -1 1 289.243 0.664 20 10 CCCDMM O=C(CCc1ncc[nH]1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177997924 842721346 /nfs/dbraw/zinc/72/13/46/842721346.db2.gz HHSYITGWKCHNPF-UHFFFAOYSA-N -1 1 289.291 0.753 20 10 CCCDMM C[C@@H]1C(=O)OC[C@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182092499 843727182 /nfs/dbraw/zinc/72/71/82/843727182.db2.gz ZDARUSMZXDIZOU-IONNQARKSA-N -1 1 293.275 0.206 20 10 CCCDMM CC[C@@H](CO)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183174646 843972403 /nfs/dbraw/zinc/97/24/03/843972403.db2.gz VSUHXWWBVWCFII-QMMMGPOBSA-N -1 1 267.281 0.415 20 10 CCCDMM Cc1c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ncn1C ZINC001194866123 846407614 /nfs/dbraw/zinc/40/76/14/846407614.db2.gz FKODQBPMVUWFFB-UHFFFAOYSA-N -1 1 289.291 0.752 20 10 CCCDMM COc1cccc(CNC(=O)CCCc2nn[n-]n2)c1O ZINC001545684358 900470262 /nfs/dbraw/zinc/47/02/62/900470262.db2.gz SXJSDBLFCPNZOK-UHFFFAOYSA-N -1 1 291.311 0.553 20 10 CCCDMM CC(C)N1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000295054199 199322359 /nfs/dbraw/zinc/32/23/59/199322359.db2.gz KGGOZXMSQCOZSF-QMMMGPOBSA-N -1 1 296.298 0.976 20 10 CCCDMM COC(=O)[C@H](CF)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295451011 353894592 /nfs/dbraw/zinc/89/45/92/353894592.db2.gz KQTFKANZWZDVMW-LURJTMIESA-N -1 1 275.207 0.478 20 10 CCCDMM COC(=O)CN(CC(=O)OC)Cc1cccc(F)c1[O-] ZINC000272272451 263002991 /nfs/dbraw/zinc/00/29/91/263002991.db2.gz LQXAMTWFSMIIQC-UHFFFAOYSA-N -1 1 285.271 0.679 20 10 CCCDMM CCNC(=O)CN(CC)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276634059 521736525 /nfs/dbraw/zinc/73/65/25/521736525.db2.gz TXWMGFDDDVOYQR-UHFFFAOYSA-N -1 1 284.287 0.835 20 10 CCCDMM CCN1C[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000846658922 615346753 /nfs/dbraw/zinc/34/67/53/615346753.db2.gz OCLLEPATVHBOEY-MRVPVSSYSA-N -1 1 296.298 0.835 20 10 CCCDMM COC[C@H]1C(=O)N[C@@H](c2cccc(F)c2[O-])N1C ZINC000840833270 616763452 /nfs/dbraw/zinc/76/34/52/616763452.db2.gz QNDTWIIHPXSCDO-GXSJLCMTSA-N -1 1 254.261 0.607 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCC(=O)N1 ZINC000890756287 624626262 /nfs/dbraw/zinc/62/62/62/624626262.db2.gz AZIYZVGCJLRRSC-VIFPVBQESA-N -1 1 268.700 0.940 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1COC(=O)N1 ZINC000890759484 624628720 /nfs/dbraw/zinc/62/87/20/624628720.db2.gz LHPMAYYGAGHDKD-QMMMGPOBSA-N -1 1 270.672 0.770 20 10 CCCDMM O=C(COC(=O)[C@@H](O)C1CCC1)c1ccc([O-])c(O)c1 ZINC000838309320 640245385 /nfs/dbraw/zinc/24/53/85/640245385.db2.gz MOBRVGRLVPENDK-ZDUSSCGKSA-N -1 1 280.276 0.985 20 10 CCCDMM O=C(NC[C@H]1CCCNC1=O)c1c(F)ccc(O)c1[O-] ZINC000839668997 640348145 /nfs/dbraw/zinc/34/81/45/640348145.db2.gz AZDDGOZRJMYHBS-SSDOTTSWSA-N -1 1 282.271 0.493 20 10 CCCDMM COc1ccccc1CNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048403240 649320983 /nfs/dbraw/zinc/32/09/83/649320983.db2.gz PMYHWVUMQPIHQD-UHFFFAOYSA-N -1 1 291.332 0.200 20 10 CCCDMM O=C([O-])c1cc(NS(=O)(=O)c2cn[nH]c2)ccc1O ZINC000037744471 790882792 /nfs/dbraw/zinc/88/27/92/790882792.db2.gz ZRAJIOQYXWWSMR-UHFFFAOYSA-N -1 1 283.265 0.614 20 10 CCCDMM CC[C@@H](O)C(=O)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474341 806256544 /nfs/dbraw/zinc/25/65/44/806256544.db2.gz RMRIYVLFJSGNIQ-MRVPVSSYSA-N -1 1 254.238 0.977 20 10 CCCDMM CN1C(=O)COCC12CN(Cc1c([O-])cccc1F)C2 ZINC001273266200 821508304 /nfs/dbraw/zinc/50/83/04/821508304.db2.gz SEFROGYYZJSOSJ-UHFFFAOYSA-N -1 1 280.299 0.574 20 10 CCCDMM O=C(CNc1cncn2cnnc12)c1ccc([O-])c(O)c1 ZINC001170320507 837300410 /nfs/dbraw/zinc/30/04/10/837300410.db2.gz DXNCCQSWZACCKN-UHFFFAOYSA-N -1 1 285.263 0.830 20 10 CCCDMM O=C(CNC(=O)c1cc[nH]c(=O)c1)c1ccc([O-])c(O)c1 ZINC001146916394 840426525 /nfs/dbraw/zinc/42/65/25/840426525.db2.gz LINOXWKAVQJIMI-UHFFFAOYSA-N -1 1 288.259 0.811 20 10 CCCDMM CN1CC2(C1)CN(C(=O)c1cc(=O)n(-c3ccccc3)[n-]1)C2 ZINC001147883479 840715526 /nfs/dbraw/zinc/71/55/26/840715526.db2.gz CHCDZPRCWORPDG-UHFFFAOYSA-N -1 1 298.346 0.553 20 10 CCCDMM O=C(NC[C@@H](O)CF)c1ccc(O)c([O-])c1Cl ZINC001193253988 846037068 /nfs/dbraw/zinc/03/70/68/846037068.db2.gz FLUYERYHGQKDIY-YFKPBYRVSA-N -1 1 263.652 0.811 20 10 CCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC(CO)C1 ZINC001193225669 846037501 /nfs/dbraw/zinc/03/75/01/846037501.db2.gz QKPOXUSNNYIKBX-UHFFFAOYSA-N -1 1 257.673 0.816 20 10 CCCDMM CC(=O)NC[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272265533 353047391 /nfs/dbraw/zinc/04/73/91/353047391.db2.gz KQKQUPABXDFBOX-LBPRGKRZSA-N -1 1 282.315 0.868 20 10 CCCDMM COC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000272298780 353051018 /nfs/dbraw/zinc/05/10/18/353051018.db2.gz PGOYLFRFJVIFKB-NSHDSACASA-N -1 1 296.298 0.395 20 10 CCCDMM COCCN1CCN(Cc2cccc(F)c2[O-])CC1=O ZINC000272358543 353056548 /nfs/dbraw/zinc/05/65/48/353056548.db2.gz MPIHHMDEPIUXPU-UHFFFAOYSA-N -1 1 282.315 0.822 20 10 CCCDMM CCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278243903 279255876 /nfs/dbraw/zinc/25/58/76/279255876.db2.gz WHIRFKKQLVNHEE-GFCCVEGCSA-N -1 1 281.268 0.759 20 10 CCCDMM CS(=O)(=O)CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000278953442 328232181 /nfs/dbraw/zinc/23/21/81/328232181.db2.gz VVBIIQDOLZUHAH-UHFFFAOYSA-N -1 1 291.300 0.401 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN2C(=O)NC[C@H]2C1 ZINC000276538809 518201988 /nfs/dbraw/zinc/20/19/88/518201988.db2.gz FXQQNHZDAKPFGP-ZETCQYMHSA-N -1 1 295.270 0.087 20 10 CCCDMM CN(CC(=O)NC1CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789950661 581166116 /nfs/dbraw/zinc/16/61/16/581166116.db2.gz SNELOTPPJGBEEC-UHFFFAOYSA-N -1 1 282.271 0.588 20 10 CCCDMM COc1c([O-])c(CN2CCN(C)C(=O)C2)ccc1[N+](=O)[O-] ZINC000774882890 582000689 /nfs/dbraw/zinc/00/06/89/582000689.db2.gz DUVQWBFQPCTFPO-UHFFFAOYSA-N -1 1 295.295 0.583 20 10 CCCDMM O=C(C1=CC(=O)CS1)N1CCC(c2nn[n-]n2)CC1 ZINC000738248451 582031722 /nfs/dbraw/zinc/03/17/22/582031722.db2.gz YJHLSOLXLFPNSZ-UHFFFAOYSA-N -1 1 279.325 0.987 20 10 CCCDMM O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765111337 582090377 /nfs/dbraw/zinc/09/03/77/582090377.db2.gz YVRLVDXZMSWZRC-SSDOTTSWSA-N -1 1 279.325 0.987 20 10 CCCDMM CC[C@H](O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837811941 615824821 /nfs/dbraw/zinc/82/48/21/615824821.db2.gz WEFPSLVFKZEBDA-VIFPVBQESA-N -1 1 268.265 0.985 20 10 CCCDMM CN(Cc1ccccc1O)c1ccc(-c2nnn[n-]2)nn1 ZINC000825981898 616171062 /nfs/dbraw/zinc/17/10/62/616171062.db2.gz ZQRMMRFFDQEJFV-UHFFFAOYSA-N -1 1 283.295 0.999 20 10 CCCDMM CN(Cc1ccccc1O)c1ccc(-c2nn[n-]n2)nn1 ZINC000825981898 616171063 /nfs/dbraw/zinc/17/10/63/616171063.db2.gz ZQRMMRFFDQEJFV-UHFFFAOYSA-N -1 1 283.295 0.999 20 10 CCCDMM COC[C@](C)(O)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000833448920 616839858 /nfs/dbraw/zinc/83/98/58/616839858.db2.gz NZFRAWOBPMSKEY-CYBMUJFWSA-N -1 1 287.287 0.754 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCNC1=O ZINC000890760909 624628430 /nfs/dbraw/zinc/62/84/30/624628430.db2.gz DMBKZJBISLGDFX-MRVPVSSYSA-N -1 1 268.700 0.798 20 10 CCCDMM O=C(C[C@H]1CC(=O)N1)NCc1cccc(Cl)c1[O-] ZINC000890761057 624628751 /nfs/dbraw/zinc/62/87/51/624628751.db2.gz JMZSUTOWNDREHT-QMMMGPOBSA-N -1 1 268.700 0.940 20 10 CCCDMM O=C1CO[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C[C@@H]2N1 ZINC000877577497 646825841 /nfs/dbraw/zinc/82/58/41/646825841.db2.gz FPYPTISEKGKNRE-QWRGUYRKSA-N -1 1 298.289 0.760 20 10 CCCDMM COC(=O)C1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231447404 805802675 /nfs/dbraw/zinc/80/26/75/805802675.db2.gz SNPFDEGECVIBQR-UHFFFAOYSA-N -1 1 265.265 0.695 20 10 CCCDMM O=C([O-])c1ccc(CN2CCCNC(=O)C2)c(O)c1 ZINC001231447450 805804527 /nfs/dbraw/zinc/80/45/27/805804527.db2.gz ULIMXBPEMNOJDF-UHFFFAOYSA-N -1 1 264.281 0.412 20 10 CCCDMM O=C([O-])c1ccc(O)c(CN2CCN(C3COC3)CC2)c1 ZINC001231561816 805818179 /nfs/dbraw/zinc/81/81/79/805818179.db2.gz VWEPSOARYQUBDT-UHFFFAOYSA-N -1 1 292.335 0.607 20 10 CCCDMM NC(=O)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000722179095 806310754 /nfs/dbraw/zinc/31/07/54/806310754.db2.gz HHBRQUHCFKOPHQ-UHFFFAOYSA-N -1 1 253.277 0.728 20 10 CCCDMM COC(=O)[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1F ZINC001137841559 799690362 /nfs/dbraw/zinc/69/03/62/799690362.db2.gz JTAYUSUEDVWCLK-NSHDSACASA-N -1 1 282.271 0.005 20 10 CCCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@H](O)[C@H](CO)C1 ZINC001140583002 799922943 /nfs/dbraw/zinc/92/29/43/799922943.db2.gz SNRXYFYKRVCKQW-UFBFGSQYSA-N -1 1 273.279 0.846 20 10 CCCDMM O=C(C[C@H]1CCOC1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180926678 843341636 /nfs/dbraw/zinc/34/16/36/843341636.db2.gz SWPOWDBACPIZFL-SECBINFHSA-N -1 1 279.292 0.823 20 10 CCCDMM COC(=O)[C@H](C)NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190568661 845433280 /nfs/dbraw/zinc/43/32/80/845433280.db2.gz VPGDTRNQPDLSDR-ZETCQYMHSA-N -1 1 296.279 0.141 20 10 CCCDMM CNOCCNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236589 846030460 /nfs/dbraw/zinc/03/04/60/846030460.db2.gz IURHRGCWLMQLJG-UHFFFAOYSA-N -1 1 260.677 0.632 20 10 CCCDMM O=C(CNC(=O)c1ncc(F)cn1)c1ccc([O-])c(O)c1 ZINC001197218929 846882978 /nfs/dbraw/zinc/88/29/78/846882978.db2.gz MNHOGNNQTSTFSX-UHFFFAOYSA-N -1 1 291.238 0.640 20 10 CCCDMM COCCNC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001197882682 846995566 /nfs/dbraw/zinc/99/55/66/846995566.db2.gz YNDLYYBBEBDQDY-UHFFFAOYSA-N -1 1 284.337 0.391 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(=O)N(C2CC2)C1 ZINC000296062729 353929622 /nfs/dbraw/zinc/92/96/22/353929622.db2.gz BMQWJMUJOCZWDT-UHFFFAOYSA-N -1 1 280.255 0.641 20 10 CCCDMM COC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278253361 523146569 /nfs/dbraw/zinc/14/65/69/523146569.db2.gz PNPCLSLIPYHLBS-UHFFFAOYSA-N -1 1 284.268 0.914 20 10 CCCDMM COC(=O)[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276524583 523541109 /nfs/dbraw/zinc/54/11/09/523541109.db2.gz DAFAICGZTDDLCZ-RXMQYKEDSA-N -1 1 257.217 0.528 20 10 CCCDMM COC(=O)[C@H](NCc1cccc(F)c1[O-])[C@@H](C)O ZINC000276434672 523928441 /nfs/dbraw/zinc/92/84/41/523928441.db2.gz HZSNREDXKSKIPT-GMSGAONNSA-N -1 1 257.261 0.543 20 10 CCCDMM O=C(COC(=O)[C@H]1CCC[C@H]1O)c1ccc([O-])c(O)c1 ZINC000783878396 581366423 /nfs/dbraw/zinc/36/64/23/581366423.db2.gz NXCWFCJWPOOBHL-VHSXEESVSA-N -1 1 280.276 0.985 20 10 CCCDMM CNC(=O)NCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000795636810 581416847 /nfs/dbraw/zinc/41/68/47/581416847.db2.gz LWLDGNRKDMFUJR-UHFFFAOYSA-N -1 1 296.279 0.143 20 10 CCCDMM COc1ccc(N(C)Cc2nc(=O)n(C)[n-]2)cc1F ZINC000754060795 581573155 /nfs/dbraw/zinc/57/31/55/581573155.db2.gz JRWZOGOSNIHXFI-UHFFFAOYSA-N -1 1 266.276 0.893 20 10 CCCDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccccc1O ZINC000809819032 640907410 /nfs/dbraw/zinc/90/74/10/640907410.db2.gz UMZUGBPZESURDJ-UHFFFAOYSA-N -1 1 283.309 0.749 20 10 CCCDMM C[C@@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000844153077 643162701 /nfs/dbraw/zinc/16/27/01/643162701.db2.gz KOVKAUIAFMMNOA-ZCFIWIBFSA-N -1 1 268.244 0.497 20 10 CCCDMM C[C@H]1C(=O)N(C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000844153075 643163309 /nfs/dbraw/zinc/16/33/09/643163309.db2.gz KOVKAUIAFMMNOA-LURJTMIESA-N -1 1 268.244 0.497 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCn2nncc2C1 ZINC000848390361 643631682 /nfs/dbraw/zinc/63/16/82/643631682.db2.gz MUIXZMVCTGKZTP-UHFFFAOYSA-N -1 1 278.243 0.484 20 10 CCCDMM O=C1[N-]C(=S)NC(=O)C1=CNCc1ccccc1Cl ZINC000048402966 649320947 /nfs/dbraw/zinc/32/09/47/649320947.db2.gz RTSHXKFRDJKVBO-UHFFFAOYSA-N -1 1 295.751 0.844 20 10 CCCDMM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c(O)c1 ZINC001231455519 805806385 /nfs/dbraw/zinc/80/63/85/805806385.db2.gz QUKQEODIVUUEOO-CMPLNLGQSA-N -1 1 290.319 0.658 20 10 CCCDMM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2F)CCN1C ZINC001137839967 799689900 /nfs/dbraw/zinc/68/99/00/799689900.db2.gz NYSZUDSPCDFNSF-LBPRGKRZSA-N -1 1 282.315 0.820 20 10 CCCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H](CO)C1 ZINC001142508938 800126711 /nfs/dbraw/zinc/12/67/11/800126711.db2.gz QKSJJLGTNVBSIC-VIFPVBQESA-N -1 1 259.252 0.864 20 10 CCCDMM Cc1nc(CNC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n[nH]1 ZINC001147893939 840706372 /nfs/dbraw/zinc/70/63/72/840706372.db2.gz VPFANUHTVCZJSG-UHFFFAOYSA-N -1 1 298.306 0.522 20 10 CCCDMM Cc1cnc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001194078129 846211514 /nfs/dbraw/zinc/21/15/14/846211514.db2.gz YAZCMFKKVQJXHV-UHFFFAOYSA-N -1 1 287.275 0.809 20 10 CCCDMM Cc1cnn(C)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195522684 846566481 /nfs/dbraw/zinc/56/64/81/846566481.db2.gz ADFMTOXTOFOOJX-UHFFFAOYSA-N -1 1 289.291 0.752 20 10 CCCDMM [O-]c1c(F)ccc(F)c1CN1C[C@H](O)[C@H](CO)C1 ZINC001139684392 855693286 /nfs/dbraw/zinc/69/32/86/855693286.db2.gz ILIFGRVPOBGHAN-CPCISQLKSA-N -1 1 259.252 0.455 20 10 CCCDMM CN(C)c1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000250347937 961213936 /nfs/dbraw/zinc/21/39/36/961213936.db2.gz HOEJUIIHSRLTHD-OLZOCXBDSA-N -1 1 264.325 0.772 20 10 CCCDMM Cn1ncc(CCCNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000295212636 353891898 /nfs/dbraw/zinc/89/18/98/353891898.db2.gz AFJZWLFSOFCAAQ-UHFFFAOYSA-N -1 1 294.286 0.728 20 10 CCCDMM CN1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCC1=O ZINC000295758072 353916507 /nfs/dbraw/zinc/91/65/07/353916507.db2.gz HOEOZOSWIQAWJI-SSDOTTSWSA-N -1 1 282.271 0.588 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(=O)N(CC2CC2)C1 ZINC000296259488 353938837 /nfs/dbraw/zinc/93/88/37/353938837.db2.gz LTOGVTUOFYCFHM-UHFFFAOYSA-N -1 1 294.282 0.889 20 10 CCCDMM CCCCOCCCNC=C1C(=O)[N-]C(=S)NC1=O ZINC000048402795 520757172 /nfs/dbraw/zinc/75/71/72/520757172.db2.gz UWCYPBSBDFOYBY-UHFFFAOYSA-N -1 1 285.369 0.198 20 10 CCCDMM COc1cccc(CNc2nccnc2-c2nnn[n-]2)c1O ZINC000737133250 581912270 /nfs/dbraw/zinc/91/22/70/581912270.db2.gz ZBFRFUNMYHKTML-UHFFFAOYSA-N -1 1 299.294 0.983 20 10 CCCDMM COc1cccc(CNc2nccnc2-c2nn[n-]n2)c1O ZINC000737133250 581912273 /nfs/dbraw/zinc/91/22/73/581912273.db2.gz ZBFRFUNMYHKTML-UHFFFAOYSA-N -1 1 299.294 0.983 20 10 CCCDMM CO[N-]C(=O)C[NH2+]Cc1c([O-])cccc1Br ZINC000922827586 617117586 /nfs/dbraw/zinc/11/75/86/617117586.db2.gz HCRCYVKYPWYUNN-UHFFFAOYSA-N -1 1 289.129 0.922 20 10 CCCDMM NC(=O)CSCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760303 624628894 /nfs/dbraw/zinc/62/88/94/624628894.db2.gz NTFFPNZFXSNUTA-UHFFFAOYSA-N -1 1 288.756 0.880 20 10 CCCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])C1COC1 ZINC000908330062 635360682 /nfs/dbraw/zinc/36/06/82/635360682.db2.gz WSJQSCUCLYGYOP-UHFFFAOYSA-N -1 1 277.729 0.864 20 10 CCCDMM O=C(NC[C@H]1C[C@@H](O)C1)c1c([O-])c(O)ccc1F ZINC000863940542 645144727 /nfs/dbraw/zinc/14/47/27/645144727.db2.gz IRTRKVYVNGTVNX-KNVOCYPGSA-N -1 1 255.245 0.738 20 10 CCCDMM NC(=O)c1[nH]nc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001277483752 805721501 /nfs/dbraw/zinc/72/15/01/805721501.db2.gz ANDLVBVPQUMEIY-UHFFFAOYSA-N -1 1 290.298 0.912 20 10 CCCDMM NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231452314 805806810 /nfs/dbraw/zinc/80/68/10/805806810.db2.gz KZDVLEMEHGLHHU-LLVKDONJSA-N -1 1 278.308 0.930 20 10 CCCDMM O=C1COC[C@@H]2CN(Cc3c([O-])ccc(F)c3F)CCN12 ZINC001233335796 806045795 /nfs/dbraw/zinc/04/57/95/806045795.db2.gz MCNXGKGLYPUENA-VIFPVBQESA-N -1 1 298.289 0.713 20 10 CCCDMM COC(=O)[C@@H]1C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC001138132822 799703124 /nfs/dbraw/zinc/70/31/24/799703124.db2.gz QTEVJSJQGIKXAH-JTQLQIEISA-N -1 1 282.271 0.005 20 10 CCCDMM NC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142521076 800127736 /nfs/dbraw/zinc/12/77/36/800127736.db2.gz WQYNKSHDTZSEFS-UHFFFAOYSA-N -1 1 271.267 0.867 20 10 CCCDMM CN(C(=O)c1cc2cc(O)c([O-])cc2oc1=O)C1COC1 ZINC001155226272 800935522 /nfs/dbraw/zinc/93/55/22/800935522.db2.gz SNGUXIUXRYFODO-UHFFFAOYSA-N -1 1 291.259 0.675 20 10 CCCDMM COC(=O)CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231873 800935924 /nfs/dbraw/zinc/93/59/24/800935924.db2.gz LIERJLHZVOBUBM-UHFFFAOYSA-N -1 1 293.231 0.107 20 10 CCCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)C(F)F ZINC001259962150 808825434 /nfs/dbraw/zinc/82/54/34/808825434.db2.gz DRDIXPCXRCYVOB-UHFFFAOYSA-N -1 1 253.226 0.740 20 10 CCCDMM O=C(CNC[C@H](O)C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001250995681 807632396 /nfs/dbraw/zinc/63/23/96/807632396.db2.gz WWXHEPVZNCLJNV-JTQLQIEISA-N -1 1 279.214 0.793 20 10 CCCDMM O=C(CNc1cn2ncnc2cn1)c1ccc([O-])c(O)c1 ZINC001170314819 837300691 /nfs/dbraw/zinc/30/06/91/837300691.db2.gz IWKGEURDDKJXJU-UHFFFAOYSA-N -1 1 285.263 0.830 20 10 CCCDMM CCn1nccc(NCC(=O)c2ccc([O-])c(O)c2)c1=O ZINC001170321173 837303324 /nfs/dbraw/zinc/30/33/24/837303324.db2.gz WFSYZCWABCQGSI-UHFFFAOYSA-N -1 1 289.291 0.969 20 10 CCCDMM O=C(CNC(=O)[C@@H]1CCCC[C@@H]1O)c1ccc([O-])c(O)c1 ZINC001181097523 843398262 /nfs/dbraw/zinc/39/82/62/843398262.db2.gz SGQQZQITWFIWBM-MNOVXSKESA-N -1 1 293.319 0.948 20 10 CCCDMM CN1C[C@H](CNC(=O)c2ccc(O)c([O-])c2Cl)CC1=O ZINC001193236762 846031221 /nfs/dbraw/zinc/03/12/21/846031221.db2.gz QDRQGUUVQWNPRT-ZETCQYMHSA-N -1 1 298.726 0.959 20 10 CCCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nn[n-]n1 ZINC001296245798 906885998 /nfs/dbraw/zinc/88/59/98/906885998.db2.gz IDRMLERVTANXOC-QMMMGPOBSA-N -1 1 291.311 0.291 20 10 CCCDMM COc1cc(C)cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1O ZINC001599391678 997049321 /nfs/dbraw/zinc/04/93/21/997049321.db2.gz CNKADVIUWXCXDA-MNOVXSKESA-N -1 1 281.308 0.729 20 10 CCCDMM CCN(C)C(=O)[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295538216 353902254 /nfs/dbraw/zinc/90/22/54/353902254.db2.gz VYOOWOLKEHWVIP-ZETCQYMHSA-N -1 1 284.287 0.834 20 10 CCCDMM O=C(N[C@H]1CCS(=O)(=O)C1)c1c([O-])c(O)ccc1F ZINC000276697729 527062325 /nfs/dbraw/zinc/06/23/25/527062325.db2.gz QVXKFFJUOZORAD-LURJTMIESA-N -1 1 289.284 0.154 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(C1)OCCO2 ZINC000789974445 581167763 /nfs/dbraw/zinc/16/77/63/581167763.db2.gz GCLXOICZUTZETC-UHFFFAOYSA-N -1 1 283.255 0.826 20 10 CCCDMM NS(=O)(=O)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000785985198 581426279 /nfs/dbraw/zinc/42/62/79/581426279.db2.gz MISNLUXIISROOC-SECBINFHSA-N -1 1 290.772 0.908 20 10 CCCDMM CCN1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1=O ZINC000775110057 582012028 /nfs/dbraw/zinc/01/20/28/582012028.db2.gz VTSIMNPUZYCALV-UHFFFAOYSA-N -1 1 295.295 0.931 20 10 CCCDMM CN(CCS(N)(=O)=O)Cc1cccc(Cl)c1[O-] ZINC000877827052 616121689 /nfs/dbraw/zinc/12/16/89/616121689.db2.gz MOCAOQYLCWFGQM-UHFFFAOYSA-N -1 1 278.761 0.766 20 10 CCCDMM CN1CCOC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000863939594 616250162 /nfs/dbraw/zinc/25/01/62/616250162.db2.gz DXELVCAXHWHTHJ-MRVPVSSYSA-N -1 1 284.287 0.297 20 10 CCCDMM COC(=O)[C@H]1[C@@H]2CN(C(=O)c3c(F)ccc(O)c3[O-])C[C@@H]21 ZINC000832705908 616523765 /nfs/dbraw/zinc/52/37/65/616523765.db2.gz BYRLJIIMABBYTN-MTBHXBHISA-N -1 1 295.266 0.728 20 10 CCCDMM COCc1n[nH]c(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000857311479 616921409 /nfs/dbraw/zinc/92/14/09/616921409.db2.gz VGAGBOYOOYDSCJ-UHFFFAOYSA-N -1 1 296.258 0.431 20 10 CCCDMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1c(F)ccc(O)c1[O-] ZINC000899283817 633789702 /nfs/dbraw/zinc/78/97/02/633789702.db2.gz SFFAMLHOZDYUSY-IUCAKERBSA-N -1 1 299.298 0.897 20 10 CCCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](CO)O1 ZINC000830069708 642228281 /nfs/dbraw/zinc/22/82/81/642228281.db2.gz SFBZVARNLRIOGT-SFYZADRCSA-N -1 1 285.271 0.459 20 10 CCCDMM O=C(NCCCn1cncn1)c1c(F)ccc(O)c1[O-] ZINC000863930242 645145210 /nfs/dbraw/zinc/14/52/10/645145210.db2.gz MLLUECNQXUZYKB-UHFFFAOYSA-N -1 1 280.259 0.649 20 10 CCCDMM [O-]c1c(CN2CC[C@@H](CO)[C@H](O)C2)ccc(F)c1F ZINC001233073801 806018022 /nfs/dbraw/zinc/01/80/22/806018022.db2.gz CUVXRGWQVZCHQW-GXSJLCMTSA-N -1 1 273.279 0.846 20 10 CCCDMM COC(=O)[C@H]1C(=O)NCCN1Cc1c([O-])cccc1F ZINC001137841558 799689791 /nfs/dbraw/zinc/68/97/91/799689791.db2.gz JTAYUSUEDVWCLK-LLVKDONJSA-N -1 1 282.271 0.005 20 10 CCCDMM COC[C@@H](NCc1cc(F)c(F)cc1[O-])C(=O)OC ZINC001205434132 803141703 /nfs/dbraw/zinc/14/17/03/803141703.db2.gz JSBKIFPLJPVWED-SNVBAGLBSA-N -1 1 275.251 0.948 20 10 CCCDMM CC[C@@](C)(O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001184268996 844196742 /nfs/dbraw/zinc/19/67/42/844196742.db2.gz PNDNCHURRHKDLU-CQSZACIVSA-N -1 1 281.308 0.948 20 10 CCCDMM N=c1scc(N)n1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580198 840848045 /nfs/dbraw/zinc/84/80/45/840848045.db2.gz GAWSSEYPOFETIC-UHFFFAOYSA-N -1 1 267.266 0.417 20 10 CCCDMM C[C@@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCCO1 ZINC001180473488 843175736 /nfs/dbraw/zinc/17/57/36/843175736.db2.gz JWKYGWBUKPLVOT-AWEZNQCLSA-N -1 1 279.292 0.966 20 10 CCCDMM Cc1c[nH]nc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195909698 846647871 /nfs/dbraw/zinc/64/78/71/846647871.db2.gz YERGLTCIHYBGIM-UHFFFAOYSA-N -1 1 275.264 0.742 20 10 CCCDMM COc1cc(C)c(CN2CCO[C@H](C(=O)[O-])C2)c(O)c1 ZINC001599391466 997046081 /nfs/dbraw/zinc/04/60/81/997046081.db2.gz YSVAGCBEBXERKK-ZDUSSCGKSA-N -1 1 281.308 0.995 20 10 CCCDMM COC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000294824570 353890363 /nfs/dbraw/zinc/89/03/63/353890363.db2.gz DQIPKQPHLDXUEQ-QMMMGPOBSA-N -1 1 285.271 0.724 20 10 CCCDMM O=C(CNC(=O)c1c([O-])c(O)ccc1F)NCC(F)F ZINC000295247236 353892028 /nfs/dbraw/zinc/89/20/28/353892028.db2.gz YVARLJBXYRIRKR-UHFFFAOYSA-N -1 1 292.213 0.348 20 10 CCCDMM CC1(CNC(=O)c2c(F)ccc(O)c2[O-])OCCO1 ZINC000278295865 520725730 /nfs/dbraw/zinc/72/57/30/520725730.db2.gz HDDYVELDRFWYGS-UHFFFAOYSA-N -1 1 271.244 0.730 20 10 CCCDMM NC(=O)C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000783603722 581351795 /nfs/dbraw/zinc/35/17/95/581351795.db2.gz CGZXTSQTNAFZGJ-UHFFFAOYSA-N -1 1 279.248 0.089 20 10 CCCDMM CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CCNC1=O ZINC000876814390 616166381 /nfs/dbraw/zinc/16/63/81/616166381.db2.gz FTRFGSFNXVHCMJ-SECBINFHSA-N -1 1 256.252 0.991 20 10 CCCDMM CN(Cc1ccccc1O)c1nccnc1-c1nnn[n-]1 ZINC000825980921 616170920 /nfs/dbraw/zinc/17/09/20/616170920.db2.gz MAJLBPNLNWLLKM-UHFFFAOYSA-N -1 1 283.295 0.999 20 10 CCCDMM CN(Cc1ccccc1O)c1nccnc1-c1nn[n-]n1 ZINC000825980921 616170921 /nfs/dbraw/zinc/17/09/21/616170921.db2.gz MAJLBPNLNWLLKM-UHFFFAOYSA-N -1 1 283.295 0.999 20 10 CCCDMM CN1CCO[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000890761829 616259371 /nfs/dbraw/zinc/25/93/71/616259371.db2.gz ZMMNGFCHSQXFCV-LLVKDONJSA-N -1 1 298.726 0.519 20 10 CCCDMM C[C@@]1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC(=O)N1 ZINC000839790342 640362674 /nfs/dbraw/zinc/36/26/74/640362674.db2.gz AFDDNVSGKLHRAJ-ZDUSSCGKSA-N -1 1 282.271 0.635 20 10 CCCDMM O=c1nc(NCCc2ccc(O)c(O)c2)nc2[nH][n-]cc1-2 ZINC000811811228 640989092 /nfs/dbraw/zinc/98/90/92/640989092.db2.gz PPZBXICNKUUMTK-UHFFFAOYSA-N -1 1 287.279 0.498 20 10 CCCDMM O=C(c1c([O-])c(O)ccc1F)N1CC(N2CC[C@@H](O)C2)C1 ZINC000846662140 643438519 /nfs/dbraw/zinc/43/85/19/643438519.db2.gz UFPURWFKLVPMHO-SECBINFHSA-N -1 1 296.298 0.128 20 10 CCCDMM CCOC(=O)CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276634164 650936763 /nfs/dbraw/zinc/93/67/63/650936763.db2.gz WNYBXPUSABVWGV-UHFFFAOYSA-N -1 1 271.244 0.872 20 10 CCCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@H](CO)[C@H](O)C1 ZINC001139683746 799829330 /nfs/dbraw/zinc/82/93/30/799829330.db2.gz DKLMDCAXYSKGQX-PRHODGIISA-N -1 1 273.279 0.846 20 10 CCCDMM C[C@@H]1CN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CCN1 ZINC001161019536 802065662 /nfs/dbraw/zinc/06/56/62/802065662.db2.gz DLZURKZVLIBUER-LLVKDONJSA-N -1 1 286.335 0.600 20 10 CCCDMM CC(C)CS(=O)(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001259888902 808793715 /nfs/dbraw/zinc/79/37/15/808793715.db2.gz NJJQFUOPUJLYLQ-UHFFFAOYSA-N -1 1 287.337 0.856 20 10 CCCDMM O=C(CNC(=O)c1ccn[nH]1)c1ccc([O-])c(O)c1 ZINC001146843072 840397858 /nfs/dbraw/zinc/39/78/58/840397858.db2.gz ZALCPCNLZIYXCA-UHFFFAOYSA-N -1 1 261.237 0.434 20 10 CCCDMM O=S(=O)([N-]C[C@@H](O)c1ccc(O)c(O)c1)C(F)F ZINC001259949449 851850867 /nfs/dbraw/zinc/85/08/67/851850867.db2.gz PSCLNFBZNALVNX-MRVPVSSYSA-N -1 1 283.252 0.273 20 10 CCCDMM COc1cccc(CN2CCC[C@H](O)[C@H]2C(=O)[O-])c1O ZINC001599674068 994866271 /nfs/dbraw/zinc/86/62/71/994866271.db2.gz YSZJRXHBPDGVHL-JQWIXIFHSA-N -1 1 281.308 0.811 20 10 CCCDMM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CC(=O)N1C ZINC000296477566 353948845 /nfs/dbraw/zinc/94/88/45/353948845.db2.gz YDRUHWBUQZVONN-SSDOTTSWSA-N -1 1 282.271 0.540 20 10 CCCDMM O=C(N[C@@H]1C=C[C@H](CO)C1)c1c(F)ccc(O)c1[O-] ZINC000276516998 526875121 /nfs/dbraw/zinc/87/51/21/526875121.db2.gz BXLBCJZRXLHZSE-JGVFFNPUSA-N -1 1 267.256 0.904 20 10 CCCDMM O=C(COC(=O)C1(O)CCC1)c1ccc([O-])c(O)c1 ZINC000783092200 581335736 /nfs/dbraw/zinc/33/57/36/581335736.db2.gz BXLPZRXKZHRWGI-UHFFFAOYSA-N -1 1 266.249 0.739 20 10 CCCDMM CN(CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000737393563 581951564 /nfs/dbraw/zinc/95/15/64/581951564.db2.gz CDVQUBFAFHLVCL-UHFFFAOYSA-N -1 1 266.297 0.415 20 10 CCCDMM CO[N-]C(=O)C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000922831327 617117650 /nfs/dbraw/zinc/11/76/50/617117650.db2.gz YNSNHAGAILOXGY-UHFFFAOYSA-N -1 1 289.129 0.922 20 10 CCCDMM CNS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908330481 617031667 /nfs/dbraw/zinc/03/16/67/617031667.db2.gz ZBQCPFRQOLYPBL-UHFFFAOYSA-N -1 1 250.707 0.599 20 10 CCCDMM O=C([O-])c1ccc(O)c(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC001231560597 805815278 /nfs/dbraw/zinc/81/52/78/805815278.db2.gz KRKALLQCHFSPQQ-QWRGUYRKSA-N -1 1 269.272 0.995 20 10 CCCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001140583000 799923594 /nfs/dbraw/zinc/92/35/94/799923594.db2.gz SNRXYFYKRVCKQW-PRHODGIISA-N -1 1 273.279 0.846 20 10 CCCDMM O=C(C=Cc1c[nH]cn1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142276537 800108031 /nfs/dbraw/zinc/10/80/31/800108031.db2.gz WIDMBXBDLKZWKQ-DUXPYHPUSA-N -1 1 287.275 0.833 20 10 CCCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)C(F)F ZINC001259961610 808825596 /nfs/dbraw/zinc/82/55/96/808825596.db2.gz NFVZLCJAGVTJPY-UHFFFAOYSA-N -1 1 253.226 0.740 20 10 CCCDMM COC(=O)[C@@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137831771 819041136 /nfs/dbraw/zinc/04/11/36/819041136.db2.gz MRXXHOICTPXEGX-LBPRGKRZSA-N -1 1 269.272 0.905 20 10 CCCDMM CN1C(=O)COCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001273303998 821586504 /nfs/dbraw/zinc/58/65/04/821586504.db2.gz ITOXJRWTPYYUFT-UHFFFAOYSA-N -1 1 280.299 0.574 20 10 CCCDMM Cn1nnnc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193209377 846022013 /nfs/dbraw/zinc/02/20/13/846022013.db2.gz JJLKLOIYPBDWMV-UHFFFAOYSA-N -1 1 269.648 0.527 20 10 CCCDMM NC(=O)CCNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236382 846030310 /nfs/dbraw/zinc/03/03/10/846030310.db2.gz ACIWLQOQLLRJLV-UHFFFAOYSA-N -1 1 258.661 0.356 20 10 CCCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@H](O)C2)c1[O-] ZINC000232594063 352145898 /nfs/dbraw/zinc/14/58/98/352145898.db2.gz ZKMWQNIZLFGJPH-VXGBXAGGSA-N -1 1 285.727 0.786 20 10 CCCDMM CC(C)[C@H](O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276569148 519823628 /nfs/dbraw/zinc/82/36/28/519823628.db2.gz KHBIXDYIMFTBKI-SECBINFHSA-N -1 1 257.261 0.984 20 10 CCCDMM COc1c([O-])c([C@@H]2NC(=O)CN2C)ccc1[N+](=O)[O-] ZINC000277862059 521880993 /nfs/dbraw/zinc/88/09/93/521880993.db2.gz AKHUAEMZVLLOFC-LLVKDONJSA-N -1 1 267.241 0.369 20 10 CCCDMM COCCCNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000048392285 523269524 /nfs/dbraw/zinc/26/95/24/523269524.db2.gz UQLMTXNOPWSKTB-YFHOEESVSA-N -1 1 299.396 0.396 20 10 CCCDMM O=C(COC(=O)c1ncccn1)c1ccc([O-])c(O)c1 ZINC000783786245 581362177 /nfs/dbraw/zinc/36/21/77/581362177.db2.gz UVJHZRBVNYUBEL-UHFFFAOYSA-N -1 1 274.232 0.928 20 10 CCCDMM O=C(CO)NCc1cccc(Br)c1[O-] ZINC000765771006 581535538 /nfs/dbraw/zinc/53/55/38/581535538.db2.gz VCEUJGACGAESEI-UHFFFAOYSA-N -1 1 260.087 0.763 20 10 CCCDMM C[C@@H](C(=O)NCC(=O)[O-])N(C)Cc1ccccc1O ZINC000736208431 581715935 /nfs/dbraw/zinc/71/59/35/581715935.db2.gz NRBWVHBHSNWCNC-VIFPVBQESA-N -1 1 266.297 0.413 20 10 CCCDMM CN(C)c1ccc([C@H](CN=c2nn[n-]n2C)N(C)C)cc1 ZINC000897523609 616019376 /nfs/dbraw/zinc/01/93/76/616019376.db2.gz VJFKBWQTOBSDHQ-ZDUSSCGKSA-N -1 1 289.387 0.413 20 10 CCCDMM CN(CC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000820562562 616046838 /nfs/dbraw/zinc/04/68/38/616046838.db2.gz MBQOVAXBGVALEH-UHFFFAOYSA-N -1 1 252.270 0.025 20 10 CCCDMM CN1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](CO)C1 ZINC000877644988 616245310 /nfs/dbraw/zinc/24/53/10/616245310.db2.gz XHGLSACPGFYXSZ-SNVBAGLBSA-N -1 1 272.295 0.779 20 10 CCCDMM CNC(=O)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000839787325 616669351 /nfs/dbraw/zinc/66/93/51/616669351.db2.gz MCNZEFDPWUVUIL-ZCFIWIBFSA-N -1 1 270.260 0.491 20 10 CCCDMM CO[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924123349 616890022 /nfs/dbraw/zinc/89/00/22/616890022.db2.gz NWXJUDJITNCVSQ-PRHODGIISA-N -1 1 266.249 0.859 20 10 CCCDMM Cc1nn(CC(=O)NCc2cccc(Cl)c2[O-])c(=O)o1 ZINC000890761474 624629033 /nfs/dbraw/zinc/62/90/33/624629033.db2.gz SXZHNUQUPLOZDK-UHFFFAOYSA-N -1 1 297.698 0.820 20 10 CCCDMM O=C1[N-]C(=S)NC(=O)C1=CNCCc1ccccc1F ZINC000048402772 631711173 /nfs/dbraw/zinc/71/11/73/631711173.db2.gz VPDNWQLQRGKAMY-UHFFFAOYSA-N -1 1 293.323 0.373 20 10 CCCDMM O=C(NC[C@@H]1CCCNC1=O)c1c(F)ccc(O)c1[O-] ZINC000839668998 640348437 /nfs/dbraw/zinc/34/84/37/640348437.db2.gz AZDDGOZRJMYHBS-ZETCQYMHSA-N -1 1 282.271 0.493 20 10 CCCDMM C[C@@H]1CN(CCNC(=O)c2c(F)ccc(O)c2[O-])CCO1 ZINC000825678822 641903602 /nfs/dbraw/zinc/90/36/02/641903602.db2.gz ILNYJSIRIOYNHP-SECBINFHSA-N -1 1 298.314 0.687 20 10 CCCDMM NC(=O)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000863937996 645144766 /nfs/dbraw/zinc/14/47/66/645144766.db2.gz JJKSIYAFHYMTHO-IZLXSQMJSA-N -1 1 268.244 0.231 20 10 CCCDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c(F)c1 ZINC000048403180 649321138 /nfs/dbraw/zinc/32/11/38/649321138.db2.gz QXNOFQWZNVNZCM-UHFFFAOYSA-N -1 1 279.296 0.961 20 10 CCCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1COC(=O)C1 ZINC001234473359 806256644 /nfs/dbraw/zinc/25/66/44/806256644.db2.gz FCVPQRWNLPDQQN-ZETCQYMHSA-N -1 1 252.222 0.995 20 10 CCCDMM [O-]c1c(F)ccc(F)c1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001139683743 799829178 /nfs/dbraw/zinc/82/91/78/799829178.db2.gz DKLMDCAXYSKGQX-PELKAZGASA-N -1 1 273.279 0.846 20 10 CCCDMM [O-]c1cc(F)cc(F)c1CN1C[C@H](O)[C@@H](CO)C1 ZINC001140582919 799922879 /nfs/dbraw/zinc/92/28/79/799922879.db2.gz POQRFYBTTJYKHM-KRTXAFLBSA-N -1 1 259.252 0.455 20 10 CCCDMM NC(=O)[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142526913 800128427 /nfs/dbraw/zinc/12/84/27/800128427.db2.gz BIFAYGXHEWAHCI-NSHDSACASA-N -1 1 272.251 0.357 20 10 CCCDMM O=C(CC1(O)CCC1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142623469 800138859 /nfs/dbraw/zinc/13/88/59/800138859.db2.gz DGNVHGZLDVSMHY-UHFFFAOYSA-N -1 1 279.292 0.702 20 10 CCCDMM NC(=O)c1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159279521 801784931 /nfs/dbraw/zinc/78/49/31/801784931.db2.gz RQJFYWNSBQKELV-UHFFFAOYSA-N -1 1 287.275 0.887 20 10 CCCDMM NC(=O)CCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC001161075355 802083549 /nfs/dbraw/zinc/08/35/49/802083549.db2.gz ZBQIWDRKMPRPDH-UHFFFAOYSA-N -1 1 270.260 0.622 20 10 CCCDMM Cn1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1=O ZINC001240988949 806961359 /nfs/dbraw/zinc/96/13/59/806961359.db2.gz LLZCUZQXXOUDNC-UHFFFAOYSA-N -1 1 254.253 0.627 20 10 CCCDMM Cn1ccc(-c2ccc(-c3nn[n-]n3)nc2)cc1=O ZINC001240988949 806961360 /nfs/dbraw/zinc/96/13/60/806961360.db2.gz LLZCUZQXXOUDNC-UHFFFAOYSA-N -1 1 254.253 0.627 20 10 CCCDMM Cc1ncc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)[nH]1 ZINC001146876641 840412875 /nfs/dbraw/zinc/41/28/75/840412875.db2.gz PBBHROSPNLOUQV-UHFFFAOYSA-N -1 1 275.264 0.742 20 10 CCCDMM CCOC(=O)CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181789482 843612148 /nfs/dbraw/zinc/61/21/48/843612148.db2.gz GOPKHUSAKWVFJH-UHFFFAOYSA-N -1 1 281.264 0.350 20 10 CCCDMM CCc1n[nH]cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190146844 845332460 /nfs/dbraw/zinc/33/24/60/845332460.db2.gz BYSNVOFBBXVMEX-UHFFFAOYSA-N -1 1 289.291 0.996 20 10 CCCDMM O=C(NCCn1ccnn1)c1ccc(O)c([O-])c1Cl ZINC001193210243 846021886 /nfs/dbraw/zinc/02/18/86/846021886.db2.gz WOLANJXVDRZZRX-UHFFFAOYSA-N -1 1 282.687 0.773 20 10 CCCDMM O=C(N[C@H]1COC(=O)C1)c1ccc(O)c([O-])c1Cl ZINC001193236593 846030111 /nfs/dbraw/zinc/03/01/11/846030111.db2.gz IXVUMFJDIBUDLT-RXMQYKEDSA-N -1 1 271.656 0.797 20 10 CCCDMM O=C(NC1CN(C2COC2)C1)c1ccc(O)c([O-])c1Cl ZINC001193247410 846033978 /nfs/dbraw/zinc/03/39/78/846033978.db2.gz XYLWLJGMOYANML-UHFFFAOYSA-N -1 1 298.726 0.564 20 10 CCCDMM Cc1cn(C)nc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001194844570 846411989 /nfs/dbraw/zinc/41/19/89/846411989.db2.gz KZYPHOWZSGZIFH-UHFFFAOYSA-N -1 1 289.291 0.752 20 10 CCCDMM NC(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139682995 855681149 /nfs/dbraw/zinc/68/11/49/855681149.db2.gz GNAUKNOSZPMOFK-SSDOTTSWSA-N -1 1 256.252 0.978 20 10 CCCDMM O=C1[N-]C(=S)S/C1=C\c1cn(C[C@H]2CCOC2)nn1 ZINC001329708251 916139185 /nfs/dbraw/zinc/13/91/85/916139185.db2.gz ATIIEITVXQDNHB-LVWLXAFTSA-N -1 1 296.377 0.803 20 10 CCCDMM C[C@H]1CCCC[C@H]1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000048402834 290417403 /nfs/dbraw/zinc/41/74/03/290417403.db2.gz KMDNQILUQGJKPR-IONNQARKSA-N -1 1 267.354 0.570 20 10 CCCDMM CCCCNC=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000048403030 520554709 /nfs/dbraw/zinc/55/47/09/520554709.db2.gz ACIGQHKDUBERNB-HJWRWDBZSA-N -1 1 285.369 0.150 20 10 CCCDMM O=C(COC(=O)[C@@H]1CCOC1)c1ccc([O-])c(O)c1 ZINC000783234644 581160337 /nfs/dbraw/zinc/16/03/37/581160337.db2.gz MFKWWRCCHZHYPT-SECBINFHSA-N -1 1 266.249 0.860 20 10 CCCDMM COC(=O)CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789947617 581165781 /nfs/dbraw/zinc/16/57/81/581165781.db2.gz ZNWVYHFFMLURNS-UHFFFAOYSA-N -1 1 271.244 0.920 20 10 CCCDMM O=C(NC[C@]1(CCO)CCOC1)c1c(F)ccc(O)c1[O-] ZINC000789996969 581169810 /nfs/dbraw/zinc/16/98/10/581169810.db2.gz WTVSQHNFEWEETO-AWEZNQCLSA-N -1 1 299.298 0.756 20 10 CCCDMM CCOCCOCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783286004 581344224 /nfs/dbraw/zinc/34/42/24/581344224.db2.gz PGDOYGWINJVLDJ-UHFFFAOYSA-N -1 1 298.291 0.877 20 10 CCCDMM COc1c([O-])c(CNCc2nnn(C)n2)ccc1[N+](=O)[O-] ZINC000787337052 581468119 /nfs/dbraw/zinc/46/81/19/581468119.db2.gz HPJSAEOELORQGK-UHFFFAOYSA-N -1 1 294.271 0.122 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCNC1=O ZINC000895624934 632114377 /nfs/dbraw/zinc/11/43/77/632114377.db2.gz GBSQBVXXEYSIAM-VIFPVBQESA-N -1 1 283.715 0.733 20 10 CCCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CN(C)CCO1 ZINC000827105462 641980398 /nfs/dbraw/zinc/98/03/98/641980398.db2.gz JKHLMTSZFWRZID-KCJUWKMLSA-N -1 1 298.314 0.686 20 10 CCCDMM O=C1[N-]C(=S)S/C1=C/c1cn(C[C@H]2CCCO2)nn1 ZINC000865214016 645340889 /nfs/dbraw/zinc/34/08/89/645340889.db2.gz LQTBYOJQGBWRMT-SXPLAPADSA-N -1 1 296.377 0.946 20 10 CCCDMM CC(C)OCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001143379147 790851247 /nfs/dbraw/zinc/85/12/47/790851247.db2.gz QAXHNZVIECXRKE-UHFFFAOYSA-N -1 1 267.281 0.822 20 10 CCCDMM [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001233332616 806043890 /nfs/dbraw/zinc/04/38/90/806043890.db2.gz RJBIQTDEFMQAOZ-KCJUWKMLSA-N -1 1 273.279 0.846 20 10 CCCDMM O=C1CN(C2CN(Cc3c([O-])ccc(F)c3F)C2)CCN1 ZINC001233335296 806044265 /nfs/dbraw/zinc/04/42/65/806044265.db2.gz PBWDUDSVAQSUCS-UHFFFAOYSA-N -1 1 297.305 0.286 20 10 CCCDMM CC[C@H](O)C(=O)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474358 806256223 /nfs/dbraw/zinc/25/62/23/806256223.db2.gz RMRIYVLFJSGNIQ-QMMMGPOBSA-N -1 1 254.238 0.977 20 10 CCCDMM Cn1ccc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001142082590 800066577 /nfs/dbraw/zinc/06/65/77/800066577.db2.gz QNNWOHBTODMARQ-UHFFFAOYSA-N -1 1 289.291 0.373 20 10 CCCDMM O=C(Nc1nnco1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155217980 800933034 /nfs/dbraw/zinc/93/30/34/800933034.db2.gz CKFVWLKZHJVYEX-UHFFFAOYSA-N -1 1 289.203 0.840 20 10 CCCDMM Cn1cncc1[C@H](CO)NC(=O)c1c(F)ccc(O)c1[O-] ZINC001161646175 802191356 /nfs/dbraw/zinc/19/13/56/802191356.db2.gz MGPVOKXIMAHCSF-QMMMGPOBSA-N -1 1 295.270 0.434 20 10 CCCDMM NC(=O)C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001207019048 803336004 /nfs/dbraw/zinc/33/60/04/803336004.db2.gz SONXEXYXPNKOBG-VIFPVBQESA-N -1 1 286.278 0.747 20 10 CCCDMM NC(=O)[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1F ZINC001137837918 819511704 /nfs/dbraw/zinc/51/17/04/819511704.db2.gz ZBPMJCAVWZTANW-XVKPBYJWSA-N -1 1 256.252 0.929 20 10 CCCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nn[n-]n1 ZINC001176842129 842428560 /nfs/dbraw/zinc/42/85/60/842428560.db2.gz CXOJTOCLUZJOJX-UHFFFAOYSA-N -1 1 288.355 0.857 20 10 CCCDMM COC[C@H](NC(=O)C1=CC(=O)CS1)c1nn[n-]n1 ZINC001177829090 842684001 /nfs/dbraw/zinc/68/40/01/842684001.db2.gz VSCHQKCOIIGKQP-LURJTMIESA-N -1 1 269.286 0.084 20 10 CCCDMM O=C(CNC(=O)c1ccc(=O)[nH]n1)c1ccc([O-])c(O)c1 ZINC001181752561 843599521 /nfs/dbraw/zinc/59/95/21/843599521.db2.gz PUDSZVOLIVKVPV-UHFFFAOYSA-N -1 1 289.247 0.663 20 10 CCCDMM Cc1nnsc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187898766 844792738 /nfs/dbraw/zinc/79/27/38/844792738.db2.gz HQVJAQQHXMVYDR-UHFFFAOYSA-N -1 1 293.304 0.870 20 10 CCCDMM COC(=O)CCS(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001188393551 844878864 /nfs/dbraw/zinc/87/88/64/844878864.db2.gz KEYZKIJWRCDLML-UHFFFAOYSA-N -1 1 295.263 0.975 20 10 CCCDMM CCOC(=O)NC(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195504135 846554542 /nfs/dbraw/zinc/55/45/42/846554542.db2.gz GMCIBWRSCPOKIM-UHFFFAOYSA-N -1 1 298.320 0.901 20 10 CCCDMM CN(C)c1ccc(CNC(=O)CNC(C)(C)C(=O)[O-])cc1 ZINC001593708926 954168337 /nfs/dbraw/zinc/16/83/37/954168337.db2.gz LDIGWQBMUQATAB-UHFFFAOYSA-N -1 1 293.367 0.822 20 10 CCCDMM CN(Cc1ccccc1O)[C@@H]1CCN(CCC(=O)[O-])C1=O ZINC001598530777 992777887 /nfs/dbraw/zinc/77/78/87/992777887.db2.gz RGTBWHXQZDGNMH-GFCCVEGCSA-N -1 1 292.335 0.900 20 10 CCCDMM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000295442679 353894348 /nfs/dbraw/zinc/89/43/48/353894348.db2.gz XINRQLJBXDTFPL-ZETCQYMHSA-N -1 1 294.282 0.730 20 10 CCCDMM C[C@@H]1OCC[C@]1(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296389537 353945649 /nfs/dbraw/zinc/94/56/49/353945649.db2.gz SNHCFDAMSAENFD-CPFSXVBKSA-N -1 1 285.271 0.507 20 10 CCCDMM COCC[C@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000294784366 199182005 /nfs/dbraw/zinc/18/20/05/199182005.db2.gz AMQFAFVLEPDLSC-ZDUSSCGKSA-N -1 1 287.287 0.754 20 10 CCCDMM COc1c([O-])c(CN(C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000278149527 521864559 /nfs/dbraw/zinc/86/45/59/521864559.db2.gz CEZWQXYICXFBDA-UHFFFAOYSA-N -1 1 269.257 0.226 20 10 CCCDMM COCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783409441 581346584 /nfs/dbraw/zinc/34/65/84/581346584.db2.gz JSYZULHYSXIMFJ-UHFFFAOYSA-N -1 1 254.238 0.860 20 10 CCCDMM COc1c([O-])c(CN2CCNC(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774865487 581999874 /nfs/dbraw/zinc/99/98/74/581999874.db2.gz UEPVLFBTKLEANU-QMMMGPOBSA-N -1 1 295.295 0.629 20 10 CCCDMM O=C([O-])CN(CCO)Cc1cc(Cl)ccc1O ZINC000833248215 601166263 /nfs/dbraw/zinc/16/62/63/601166263.db2.gz HDCKCMAKEAQNII-UHFFFAOYSA-N -1 1 259.689 0.925 20 10 CCCDMM CC(=O)N[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000801187212 613953303 /nfs/dbraw/zinc/95/33/03/613953303.db2.gz CMYKSIBQHUMQHC-ZETCQYMHSA-N -1 1 281.264 0.348 20 10 CCCDMM CN1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])NC1=O ZINC000890761473 616276171 /nfs/dbraw/zinc/27/61/71/616276171.db2.gz SWSRNNOTYWXTBK-VIFPVBQESA-N -1 1 283.715 0.685 20 10 CCCDMM O=C(NC1COCCOC1)c1c(F)ccc(O)c1[O-] ZINC000832653939 642510417 /nfs/dbraw/zinc/51/04/17/642510417.db2.gz HHPBVVUCMFFZRQ-UHFFFAOYSA-N -1 1 271.244 0.382 20 10 CCCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)N1 ZINC000834476014 642570901 /nfs/dbraw/zinc/57/09/01/642570901.db2.gz KZPZDHLYLFQUID-QMMMGPOBSA-N -1 1 299.124 0.659 20 10 CCCDMM O=C(NCC[C@]1(O)CCCOC1)c1c(F)ccc(O)c1[O-] ZINC000846665898 643438438 /nfs/dbraw/zinc/43/84/38/643438438.db2.gz ZWVBRDUSXKBHIT-CQSZACIVSA-N -1 1 299.298 0.898 20 10 CCCDMM NC(=O)c1cn2c(n1)CN(Cc1c([O-])cccc1F)CC2 ZINC001277484865 805725943 /nfs/dbraw/zinc/72/59/43/805725943.db2.gz VBQZBJPJAFSZIF-UHFFFAOYSA-N -1 1 290.298 0.843 20 10 CCCDMM O=C(NCc1ccc(=O)[nH]n1)c1c(F)ccc(O)c1[O-] ZINC001161358533 802138164 /nfs/dbraw/zinc/13/81/64/802138164.db2.gz BKXZJTVVAVKJRS-UHFFFAOYSA-N -1 1 279.227 0.663 20 10 CCCDMM NC(=O)c1ncc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170315423 837301956 /nfs/dbraw/zinc/30/19/56/837301956.db2.gz YEAAOJPHJJHNPF-UHFFFAOYSA-N -1 1 288.263 0.282 20 10 CCCDMM O=C(CNC(=O)c1csnn1)c1ccc([O-])c(O)c1 ZINC001146827599 840375964 /nfs/dbraw/zinc/37/59/64/840375964.db2.gz JYRAPNCLTKPZDZ-UHFFFAOYSA-N -1 1 279.277 0.562 20 10 CCCDMM CCOC(=O)CNC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001189928118 845273103 /nfs/dbraw/zinc/27/31/03/845273103.db2.gz DHYGINWUBLXHOU-UHFFFAOYSA-N -1 1 296.279 0.143 20 10 CCCDMM Nc1cn(C(=O)c2ccc(O)c([O-])c2Cl)nc1N ZINC001193220024 846023659 /nfs/dbraw/zinc/02/36/59/846023659.db2.gz PISJSWNOWSIIQE-UHFFFAOYSA-N -1 1 268.660 0.801 20 10 CCCDMM C[C@H]1C(=O)NCCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225782 846038014 /nfs/dbraw/zinc/03/80/14/846038014.db2.gz RTEDBUKDRMUJGH-LURJTMIESA-N -1 1 284.699 0.712 20 10 CCCDMM CN1CCN(c2ccc(CNC(=O)CC(=O)[O-])cc2)CC1 ZINC001598622389 994023835 /nfs/dbraw/zinc/02/38/35/994023835.db2.gz GXCUWSROFYKPEL-UHFFFAOYSA-N -1 1 291.351 0.529 20 10 CCCDMM CC(=O)NC[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000272265529 353047485 /nfs/dbraw/zinc/04/74/85/353047485.db2.gz KQKQUPABXDFBOX-GFCCVEGCSA-N -1 1 282.315 0.868 20 10 CCCDMM COC(=O)[C@@H](CF)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295451014 353894831 /nfs/dbraw/zinc/89/48/31/353894831.db2.gz KQTFKANZWZDVMW-ZCFIWIBFSA-N -1 1 275.207 0.478 20 10 CCCDMM COC(=O)[C@@H](C)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000280003473 523547865 /nfs/dbraw/zinc/54/78/65/523547865.db2.gz RYEHAGWVXLTPDI-SSDOTTSWSA-N -1 1 284.268 0.960 20 10 CCCDMM CN(C)C(=O)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000276583895 523984084 /nfs/dbraw/zinc/98/40/84/523984084.db2.gz OYWQSJOWMZWQHT-UHFFFAOYSA-N -1 1 270.260 0.397 20 10 CCCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN2C(=O)NC[C@@H]2C1 ZINC000276538807 526576718 /nfs/dbraw/zinc/57/67/18/526576718.db2.gz FXQQNHZDAKPFGP-SSDOTTSWSA-N -1 1 295.270 0.087 20 10 CCCDMM C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786061076 581428558 /nfs/dbraw/zinc/42/85/58/581428558.db2.gz BFTKPWZZOSZVOX-KSBSHMNSSA-N -1 1 295.247 0.321 20 10 CCCDMM COc1ccc(N(C)Cc2nc(=O)n(C)[n-]2)c(OC)c1 ZINC000754070761 581573767 /nfs/dbraw/zinc/57/37/67/581573767.db2.gz LPGYGWKJRUFUMI-UHFFFAOYSA-N -1 1 278.312 0.762 20 10 CCCDMM COC(=O)[C@@]1(O)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000895701693 616561088 /nfs/dbraw/zinc/56/10/88/616561088.db2.gz CCIUPEHHNCFMKP-CYBMUJFWSA-N -1 1 287.262 0.780 20 10 CCCDMM COC[C@@](C)(O)CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000833448922 617028685 /nfs/dbraw/zinc/02/86/85/617028685.db2.gz NZFRAWOBPMSKEY-ZDUSSCGKSA-N -1 1 287.287 0.754 20 10 CCCDMM COC[C@@](C)(O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000826121395 617030384 /nfs/dbraw/zinc/03/03/84/617030384.db2.gz QGUBDOKOEWEUSS-LBPRGKRZSA-N -1 1 273.260 0.364 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1COC(=O)N1 ZINC000890759483 624628741 /nfs/dbraw/zinc/62/87/41/624628741.db2.gz LHPMAYYGAGHDKD-MRVPVSSYSA-N -1 1 270.672 0.770 20 10 CCCDMM CCCCC[C@@H](C)NC=C1C(=O)[N-]C(=S)NC1=O ZINC000048403051 631710979 /nfs/dbraw/zinc/71/09/79/631710979.db2.gz PWWIDQCJAKKXRD-MRVPVSSYSA-N -1 1 269.370 0.960 20 10 CCCDMM NC(=O)CC1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000817766475 641273198 /nfs/dbraw/zinc/27/31/98/641273198.db2.gz NNFMCTOWPPLDEY-UHFFFAOYSA-N -1 1 282.271 0.622 20 10 CCCDMM O=C(NCC1OCCCO1)c1c(F)ccc(O)c1[O-] ZINC000863907007 645141487 /nfs/dbraw/zinc/14/14/87/645141487.db2.gz DQJFHWITNAPTHA-UHFFFAOYSA-N -1 1 271.244 0.730 20 10 CCCDMM CNC(=O)CN(C)Cc1ccc(C(=O)[O-])cc1O ZINC001231446371 805802906 /nfs/dbraw/zinc/80/29/06/805802906.db2.gz HUBJSRFHRRFGBO-UHFFFAOYSA-N -1 1 252.270 0.268 20 10 CCCDMM NC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001276503736 803338277 /nfs/dbraw/zinc/33/82/77/803338277.db2.gz JPZFBAMEQKTDGC-DAZKTRTLSA-N -1 1 296.710 0.841 20 10 CCCDMM COC(=O)CS(=O)(=O)[N-]c1ccc(O)c(OC)c1 ZINC001259024526 808723001 /nfs/dbraw/zinc/72/30/01/808723001.db2.gz VXYGLXDGERIMLQ-UHFFFAOYSA-N -1 1 275.282 0.316 20 10 CCCDMM C[C@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCOC1 ZINC001184414196 844237283 /nfs/dbraw/zinc/23/72/83/844237283.db2.gz IUTKWNWCSXKMOP-AWEZNQCLSA-N -1 1 279.292 0.823 20 10 CCCDMM NC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ccn1 ZINC001170314753 837301937 /nfs/dbraw/zinc/30/19/37/837301937.db2.gz HHWNRYQPQFBFCB-UHFFFAOYSA-N -1 1 287.275 0.308 20 10 CCCDMM NC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001170316472 837302216 /nfs/dbraw/zinc/30/22/16/837302216.db2.gz SNXIPYUDHTYWDG-UHFFFAOYSA-N -1 1 288.263 0.282 20 10 CCCDMM O=C(Cc1nn[n-]n1)N1CCCc2cc(O)c(O)cc2C1 ZINC001176842086 842427572 /nfs/dbraw/zinc/42/75/72/842427572.db2.gz BRJGGGRCEUZTDI-UHFFFAOYSA-N -1 1 289.295 0.128 20 10 CCCDMM COC(=O)CCS(=O)(=O)[N-]c1ccc(O)cc1OC ZINC001188393804 844879287 /nfs/dbraw/zinc/87/92/87/844879287.db2.gz ONCDEGCVEOMPQJ-UHFFFAOYSA-N -1 1 289.309 0.706 20 10 CCCDMM O=C(Cn1cncn1)NCc1cccc(Cl)c1[O-] ZINC001305069816 908189842 /nfs/dbraw/zinc/18/98/42/908189842.db2.gz PWCDXEJDELQNFQ-UHFFFAOYSA-N -1 1 266.688 0.954 20 10 CCCDMM C[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599866442 989269723 /nfs/dbraw/zinc/26/97/23/989269723.db2.gz CNGHKUYQQKCJNB-SKDRFNHKSA-N -1 1 250.298 0.943 20 10 CCCDMM COCC(=O)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272215729 353043446 /nfs/dbraw/zinc/04/34/46/353043446.db2.gz BDHRJZHRNIHWAW-UHFFFAOYSA-N -1 1 282.315 0.822 20 10 CCCDMM COC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000272298776 353051053 /nfs/dbraw/zinc/05/10/53/353051053.db2.gz PGOYLFRFJVIFKB-LLVKDONJSA-N -1 1 296.298 0.395 20 10 CCCDMM 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O=C(CN1CCOCC1=O)NCc1cccc(Cl)c1[O-] ZINC000890759232 624628240 /nfs/dbraw/zinc/62/82/40/624628240.db2.gz HTZPWGQHCRNBRN-UHFFFAOYSA-N -1 1 298.726 0.521 20 10 CCCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]1(O)CCOC1 ZINC000890761011 624628646 /nfs/dbraw/zinc/62/86/46/624628646.db2.gz IGUWDHVFCVKAHA-GFCCVEGCSA-N -1 1 271.700 0.813 20 10 CCCDMM Cn1cnc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000811228423 640969411 /nfs/dbraw/zinc/96/94/11/640969411.db2.gz IEORFEJFYHEMGU-UHFFFAOYSA-N -1 1 276.248 0.871 20 10 CCCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CN(C)CCO1 ZINC000827105463 641979887 /nfs/dbraw/zinc/97/98/87/641979887.db2.gz JKHLMTSZFWRZID-KWQFWETISA-N -1 1 298.314 0.686 20 10 CCCDMM [O-]c1ccc(F)c(F)c1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001233332795 806043406 /nfs/dbraw/zinc/04/34/06/806043406.db2.gz XVTYJEGEELROLP-CPCISQLKSA-N -1 1 259.252 0.455 20 10 CCCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H]1OCCN(C)C1=O ZINC001234478449 806257564 /nfs/dbraw/zinc/25/75/64/806257564.db2.gz ZUXSHKSOBVYCCI-CYBMUJFWSA-N -1 1 295.291 0.536 20 10 CCCDMM CN(CC(=O)N1CCOCC1)Cc1c([O-])cccc1F ZINC001137831473 799690147 /nfs/dbraw/zinc/69/01/47/799690147.db2.gz AWHOKROTBXHMIH-UHFFFAOYSA-N -1 1 282.315 0.822 20 10 CCCDMM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001140582405 799923839 /nfs/dbraw/zinc/92/38/39/799923839.db2.gz IFVXBOWCDNKUBI-SDBXPKJASA-N -1 1 273.279 0.846 20 10 CCCDMM CN(CCO)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001161116621 802094608 /nfs/dbraw/zinc/09/46/08/802094608.db2.gz LXMUFQVJJHWQDY-UHFFFAOYSA-N -1 1 279.248 0.269 20 10 CCCDMM NC(=O)CN1CCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001206240226 803218958 /nfs/dbraw/zinc/21/89/58/803218958.db2.gz VEPAKRWDTHLAQW-UHFFFAOYSA-N -1 1 297.742 0.175 20 10 CCCDMM CC(C)CNC(=O)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC001261256603 808941637 /nfs/dbraw/zinc/94/16/37/808941637.db2.gz NIGZTRITUVTWDQ-UHFFFAOYSA-N -1 1 284.287 0.739 20 10 CCCDMM CN1C(=O)COCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001273378878 822039962 /nfs/dbraw/zinc/03/99/62/822039962.db2.gz 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CC[C@@H](O)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837811939 615539574 /nfs/dbraw/zinc/53/95/74/615539574.db2.gz WEFPSLVFKZEBDA-SECBINFHSA-N -1 1 268.265 0.985 20 10 CCCDMM CNC(=O)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877581797 616555707 /nfs/dbraw/zinc/55/57/07/616555707.db2.gz SXXOENKYFGNHQL-UHFFFAOYSA-N -1 1 256.252 0.848 20 10 CCCDMM O=C(NC[C@@H](O)COCC1CC1)c1c(F)ccc(O)c1[O-] ZINC000826603628 641946634 /nfs/dbraw/zinc/94/66/34/641946634.db2.gz JKSZMJOEFFUWFW-SECBINFHSA-N -1 1 299.298 0.754 20 10 CCCDMM O=C([O-])c1ccc(CN2CC[C@@](F)(CO)C2)c(O)c1 ZINC001231447521 805804075 /nfs/dbraw/zinc/80/40/75/805804075.db2.gz VZGJJOYZELUJLE-ZDUSSCGKSA-N -1 1 269.272 0.997 20 10 CCCDMM CC(=O)c1cc(O)c([O-])cc1OC(=O)C[C@@H](C)O ZINC001234474808 806256240 /nfs/dbraw/zinc/25/62/40/806256240.db2.gz XITUGHXYZYQUMJ-ZCFIWIBFSA-N -1 1 254.238 0.977 20 10 CCCDMM NC(=O)[C@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137838480 819593621 /nfs/dbraw/zinc/59/36/21/819593621.db2.gz BLIHCXUHFDOYCC-LLVKDONJSA-N -1 1 254.261 0.217 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