smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC1CN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010562 978404014 /nfs/dbraw/zinc/40/40/14/978404014.db2.gz QLSHOAFYXUSFFR-UHFFFAOYSA-N 0 0 239.271 1.024 20 10 BDCDRN C[C@H]([NH2+]CC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000037250881 948824426 /nfs/dbraw/zinc/82/44/26/948824426.db2.gz DWHOFBRLIWORNE-VIFPVBQESA-N 0 0 222.288 1.488 20 10 BDCDRN CCN1CCc2cc(O[C@H]3C[C@H](O)C3)ccc21 ZINC001218364011 971745711 /nfs/dbraw/zinc/74/57/11/971745711.db2.gz PMGNUTHDOQBNQK-AULYBMBSSA-N 0 0 233.311 1.971 20 10 BDCDRN Nc1ccc(CC(=O)NC[C@H]2C[C@H](F)C2)cc1 ZINC001220147391 972165504 /nfs/dbraw/zinc/16/55/04/972165504.db2.gz FHMFYFAFMJSHBY-XYPYZODXSA-N 0 0 236.290 1.676 20 10 BDCDRN CC1(C)C[C@@H](CNC(=O)Cc2ccc(N)cc2)O1 ZINC001220200627 972181916 /nfs/dbraw/zinc/18/19/16/972181916.db2.gz PDPUHAZJVGMKNB-LBPRGKRZSA-N 0 0 248.326 1.495 20 10 BDCDRN COc1cccc(N)c1N[C@H]1CCC(=O)N(C)C1 ZINC001167249876 957588271 /nfs/dbraw/zinc/58/82/71/957588271.db2.gz RGCKVIVJSUZWGV-VIFPVBQESA-N 0 0 249.314 1.310 20 10 BDCDRN Oc1ccc(F)cc1CNCc1csnn1 ZINC000398334175 958214781 /nfs/dbraw/zinc/21/47/81/958214781.db2.gz OOHWQWCZQPXBFR-UHFFFAOYSA-N 0 0 239.275 1.673 20 10 BDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCCF ZINC000588408379 958297787 /nfs/dbraw/zinc/29/77/87/958297787.db2.gz YVQOGTGDJFYUBI-HYXAFXHYSA-N 0 0 239.246 1.587 20 10 BDCDRN Oc1ccccc1CNc1nccnc1F ZINC000402741691 958310884 /nfs/dbraw/zinc/31/08/84/958310884.db2.gz WSTFUQBZTUKPEM-UHFFFAOYSA-N 0 0 219.219 1.355 20 10 BDCDRN CC(=O)C(=O)Cn1c(C)nc2c1CCCC2 ZINC001327183679 972482119 /nfs/dbraw/zinc/48/21/19/972482119.db2.gz LGWNLVBOPZRDDX-UHFFFAOYSA-N 0 0 220.272 1.228 20 10 BDCDRN Cc1ccc(CN2CC(=O)NC[C@H]2C)c(O)c1 ZINC001140957477 960760401 /nfs/dbraw/zinc/76/04/01/960760401.db2.gz AITWUNSENUIZIY-SNVBAGLBSA-N 0 0 234.299 1.021 20 10 BDCDRN Oc1ccc(O)c(CN2CC[C@@H](O)[C@H](F)C2)c1 ZINC001141156873 960890989 /nfs/dbraw/zinc/89/09/89/960890989.db2.gz WBSWZCFJBGMPEB-ZYHUDNBSSA-N 0 0 241.262 1.003 20 10 BDCDRN Oc1ccc(O)c(CN2CCO[C@H]3C[C@H]32)c1 ZINC001141162501 960898492 /nfs/dbraw/zinc/89/84/92/960898492.db2.gz VCLCNWMUJJAFLR-PWSUYJOCSA-N 0 0 221.256 1.071 20 10 BDCDRN CC(=O)C(=O)CSc1ccc2c(c1)CCO2 ZINC000840212119 961160196 /nfs/dbraw/zinc/16/01/96/961160196.db2.gz MUADHLAHAOMDAQ-UHFFFAOYSA-N 0 0 236.292 1.872 20 10 BDCDRN C[C@@H]1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142508527 961465058 /nfs/dbraw/zinc/46/50/58/961465058.db2.gz BXMIWTTVMYQYQF-MRVPVSSYSA-N 0 0 243.253 1.891 20 10 BDCDRN CC(C)(C)c1cccc(CN2CC(O)C2)c1O ZINC001143103641 961880072 /nfs/dbraw/zinc/88/00/72/961880072.db2.gz IFWFYUFFKWAUJH-UHFFFAOYSA-N 0 0 235.327 1.866 20 10 BDCDRN COc1cccc(N)c1N[C@H]1CCSC1=O ZINC001167952180 962694454 /nfs/dbraw/zinc/69/44/54/962694454.db2.gz KQCUIUAMLKWXBZ-QMMMGPOBSA-N 0 0 238.312 1.721 20 10 BDCDRN CCN(Cc1ccccc1O)c1cc(N)ncn1 ZINC001154889371 962884010 /nfs/dbraw/zinc/88/40/10/962884010.db2.gz XTSRRQUXGQNGGY-UHFFFAOYSA-N 0 0 244.298 1.791 20 10 BDCDRN O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000712994564 963027021 /nfs/dbraw/zinc/02/70/21/963027021.db2.gz LEIZWHPBLWLCIE-SUNKGSAMSA-N 0 0 247.294 1.735 20 10 BDCDRN Oc1cc(O)c(CCNc2ccncn2)cc1O ZINC001157239908 963561719 /nfs/dbraw/zinc/56/17/19/963561719.db2.gz MMGBXLGNQUSQRS-UHFFFAOYSA-N 0 0 247.254 1.248 20 10 BDCDRN O=C1NCC[C@H]1Sc1nccs1 ZINC000179088837 963600503 /nfs/dbraw/zinc/60/05/03/963600503.db2.gz OBDVSNHXZFUCGX-RXMQYKEDSA-N 0 0 200.288 1.124 20 10 BDCDRN O=C(NC/C=C\Cl)c1cccc(O)c1O ZINC001158551848 963883582 /nfs/dbraw/zinc/88/35/82/963883582.db2.gz GWWIKGPLGWFUPW-DJWKRKHSSA-N 0 0 227.647 1.580 20 10 BDCDRN COCC1(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000697543087 964256267 /nfs/dbraw/zinc/25/62/67/964256267.db2.gz JZVWXRYQJKMYID-UHFFFAOYSA-N 0 0 234.299 1.107 20 10 BDCDRN CC(F)(F)CNCc1cc2c(cc1O)OCO2 ZINC000697594169 964329427 /nfs/dbraw/zinc/32/94/27/964329427.db2.gz LMKRBTACSYPKMB-UHFFFAOYSA-N 0 0 245.225 1.866 20 10 BDCDRN C[C@@]1(O)CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508994 964343142 /nfs/dbraw/zinc/34/31/42/964343142.db2.gz SCDVGMYQZVBSQI-GFCCVEGCSA-N 0 0 243.253 1.627 20 10 BDCDRN COC(=O)CN(C)Cc1cc(F)c(F)cc1O ZINC001142527087 964367390 /nfs/dbraw/zinc/36/73/90/964367390.db2.gz KHBOHZMWDXCJBE-UHFFFAOYSA-N 0 0 245.225 1.275 20 10 BDCDRN O=C1CN(Cc2cc(F)c(F)cc2O)CCO1 ZINC001142530341 964372695 /nfs/dbraw/zinc/37/26/95/964372695.db2.gz FCCZFTUQQRQWNH-UHFFFAOYSA-N 0 0 243.209 1.029 20 10 BDCDRN Cc1ccc(C)n1-c1ccc(NCC(N)=O)cc1 ZINC001161842003 964784401 /nfs/dbraw/zinc/78/44/01/964784401.db2.gz FDEQCXBQGZYDCH-UHFFFAOYSA-N 0 0 243.310 1.991 20 10 BDCDRN CCN1CCc2cc(O[C@H]3CCOC3=O)ccc21 ZINC001233602502 965539541 /nfs/dbraw/zinc/53/95/41/965539541.db2.gz VVGKVUAQHZUYCF-ZDUSSCGKSA-N 0 0 247.294 1.763 20 10 BDCDRN Nc1ccc(CC(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000699143449 965796403 /nfs/dbraw/zinc/79/64/03/965796403.db2.gz CAEQMBTXMMUKPR-VXGBXAGGSA-N 0 0 230.311 1.680 20 10 BDCDRN C[C@@H]1COC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000699776764 966080356 /nfs/dbraw/zinc/08/03/56/966080356.db2.gz INXZNLNAGMICJF-KCJUWKMLSA-N 0 0 235.287 1.425 20 10 BDCDRN C[C@H]1COC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000699776766 966085875 /nfs/dbraw/zinc/08/58/75/966085875.db2.gz INXZNLNAGMICJF-KWQFWETISA-N 0 0 235.287 1.425 20 10 BDCDRN O=C1CCN(Cc2ccccc2O)CC1(F)F ZINC001203555739 966687921 /nfs/dbraw/zinc/68/79/21/966687921.db2.gz GLHUTBKXXFJSHN-UHFFFAOYSA-N 0 0 241.237 1.802 20 10 BDCDRN COc1cccc(CN2CCCC(=O)CC2)c1O ZINC001203590368 966700970 /nfs/dbraw/zinc/70/09/70/966700970.db2.gz YLZBDOGGJLADSP-UHFFFAOYSA-N 0 0 249.310 1.956 20 10 BDCDRN Cc1[nH]nnc1NCc1cc(F)cc(F)c1O ZINC001203760623 966775559 /nfs/dbraw/zinc/77/55/59/966775559.db2.gz UDZYHTUKOZUXRZ-UHFFFAOYSA-N 0 0 240.213 1.709 20 10 BDCDRN Oc1ccc(CN2CC3(C2)CCCOC3)cc1O ZINC001203874940 966804809 /nfs/dbraw/zinc/80/48/09/966804809.db2.gz FLLLFSMIYVYXKA-UHFFFAOYSA-N 0 0 249.310 1.710 20 10 BDCDRN Oc1ccc(CN2CC(F)(F)C2)c(O)c1 ZINC001204271993 966951067 /nfs/dbraw/zinc/95/10/67/966951067.db2.gz FZAGOOKJTZVMFD-UHFFFAOYSA-N 0 0 215.199 1.549 20 10 BDCDRN Oc1ccc(CN(C2CC2)C2COC2)c(O)c1 ZINC001204278765 966959472 /nfs/dbraw/zinc/95/94/72/966959472.db2.gz JPMZSZZATOTYAA-UHFFFAOYSA-N 0 0 235.283 1.461 20 10 BDCDRN COc1cc(CN2CC(C)(C)C2)cc(O)c1O ZINC001204341499 966976108 /nfs/dbraw/zinc/97/61/08/966976108.db2.gz DVRZBKONTZJJEM-UHFFFAOYSA-N 0 0 237.299 1.948 20 10 BDCDRN [O-]c1cc(F)cc(F)c1CN1CCC[NH2+]CC1 ZINC001204668053 967125168 /nfs/dbraw/zinc/12/51/68/967125168.db2.gz SBEKKZDOTIKGNX-UHFFFAOYSA-N 0 0 242.269 1.466 20 10 BDCDRN CN1CCN(Cc2ccc(N)cc2)C(C)(C)C1=O ZINC000094865345 967273190 /nfs/dbraw/zinc/27/31/90/967273190.db2.gz QBNAGSHPCYLJCO-UHFFFAOYSA-N 0 0 247.342 1.321 20 10 BDCDRN Cn1c(=O)cc(-c2cncnc2)c2ccccc21 ZINC001240379850 967587193 /nfs/dbraw/zinc/58/71/93/967587193.db2.gz ZGISPVMITAHGIR-UHFFFAOYSA-N 0 0 237.262 1.996 20 10 BDCDRN CNc1ccccc1NC[C@@H]1CC(=O)N(C)C1 ZINC001168726998 967652681 /nfs/dbraw/zinc/65/26/81/967652681.db2.gz PDNNPQURPVPKCD-JTQLQIEISA-N 0 0 233.315 1.619 20 10 BDCDRN CO[C@H]1CN(Cc2c(O)cccc2F)C[C@@H]1F ZINC001137831774 967822451 /nfs/dbraw/zinc/82/24/51/967822451.db2.gz MTJUMQKBUGVRFQ-JQWIXIFHSA-N 0 0 243.253 1.700 20 10 BDCDRN CCn1ccc(-c2cnc(C)nc2)cc1=O ZINC001205870092 967866762 /nfs/dbraw/zinc/86/67/62/967866762.db2.gz UIDHQAODOWGAHZ-UHFFFAOYSA-N 0 0 215.256 1.634 20 10 BDCDRN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](CO)C1 ZINC001137837621 967900441 /nfs/dbraw/zinc/90/04/41/967900441.db2.gz NYKUNQDAEVZWHU-VIFPVBQESA-N 0 0 225.263 1.346 20 10 BDCDRN C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@H]1[NH3+] ZINC001206058900 968024114 /nfs/dbraw/zinc/02/41/14/968024114.db2.gz XKLUATMKSYTKSG-RDDDGLTNSA-N 0 0 242.269 1.449 20 10 BDCDRN Nc1ccc(CC(=O)N2CCCCO2)cc1 ZINC000164121489 968508060 /nfs/dbraw/zinc/50/80/60/968508060.db2.gz GPQGIZHSFONNRK-UHFFFAOYSA-N 0 0 220.272 1.365 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCC(=O)C1 ZINC000828251213 968771145 /nfs/dbraw/zinc/77/11/45/968771145.db2.gz ACJBLMMWXNSSGC-QMMMGPOBSA-N 0 0 249.266 1.083 20 10 BDCDRN Nc1ccc(-n2cc(-c3cnccn3)nn2)cc1 ZINC001254080498 969483945 /nfs/dbraw/zinc/48/39/45/969483945.db2.gz IZOFADNWVVGFQS-UHFFFAOYSA-N 0 0 238.254 1.307 20 10 BDCDRN CCC(=O)OCc1cn(-c2ccc(N)cc2)nn1 ZINC001254080511 969484872 /nfs/dbraw/zinc/48/48/72/969484872.db2.gz JFQOFNALHUEGJI-UHFFFAOYSA-N 0 0 246.270 1.303 20 10 BDCDRN Cn1ccc(N(CCO)c2ccc(N)cc2)n1 ZINC001210351420 969876081 /nfs/dbraw/zinc/87/60/81/969876081.db2.gz YHLCZFQFEOFBCA-UHFFFAOYSA-N 0 0 232.287 1.133 20 10 BDCDRN Cn1ccc(Nc2cccc(O)c2O)n1 ZINC001210352013 969876763 /nfs/dbraw/zinc/87/67/63/969876763.db2.gz FWQJNAXTGOTOFO-UHFFFAOYSA-N 0 0 205.217 1.575 20 10 BDCDRN Nc1ccc(NCc2ccc(O)c(O)c2)cn1 ZINC001169995295 969973278 /nfs/dbraw/zinc/97/32/78/969973278.db2.gz XVYYXCDDDYHWSO-UHFFFAOYSA-N 0 0 231.255 1.687 20 10 BDCDRN Cc1cnc(NCc2ccc(O)c(O)c2)nc1 ZINC001169995036 969975146 /nfs/dbraw/zinc/97/51/46/969975146.db2.gz PTUCPSHZUXPSQB-UHFFFAOYSA-N 0 0 231.255 1.808 20 10 BDCDRN Cc1nocc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001144329915 972768259 /nfs/dbraw/zinc/76/82/59/972768259.db2.gz ZRJYNVDVUFLKFZ-UHFFFAOYSA-N 0 0 248.238 1.575 20 10 BDCDRN Cc1cc(C)c(CNC(=O)c2ccn[nH]2)c(O)c1 ZINC001146843767 973302129 /nfs/dbraw/zinc/30/21/29/973302129.db2.gz CAIFKGRULUNENB-UHFFFAOYSA-N 0 0 245.282 1.662 20 10 BDCDRN CC1(NC(=O)NCCc2ccc(N)cc2)CC1 ZINC001328726264 973315998 /nfs/dbraw/zinc/31/59/98/973315998.db2.gz UREWVVQKLGTGPS-UHFFFAOYSA-N 0 0 233.315 1.663 20 10 BDCDRN Nc1ccc(OCc2cn(C3COC3)nn2)cc1 ZINC001329315065 973670847 /nfs/dbraw/zinc/67/08/47/973670847.db2.gz CYLMFPCPUQHYJO-UHFFFAOYSA-N 0 0 246.270 1.011 20 10 BDCDRN O=C(N[C@@H]1CC12CCC2)c1cc(O)c(O)c(O)c1 ZINC001148590242 973873411 /nfs/dbraw/zinc/87/34/11/973873411.db2.gz FQVJQEZNCFRRTR-SNVBAGLBSA-N 0 0 249.266 1.476 20 10 BDCDRN COC[C@@H](CSc1nccs1)OC ZINC001333275208 975612057 /nfs/dbraw/zinc/61/20/57/975612057.db2.gz BKVSSIHFZSSSMS-ZETCQYMHSA-N 0 0 219.331 1.897 20 10 BDCDRN CC1(CC(=O)NCc2ccc(O)cc2O)CC1 ZINC001333359142 975706507 /nfs/dbraw/zinc/70/65/07/975706507.db2.gz QPNAVOBNOPUXHS-UHFFFAOYSA-N 0 0 235.283 1.904 20 10 BDCDRN COc1ncc(Nc2ccc(N)cc2)cn1 ZINC001174035841 976243349 /nfs/dbraw/zinc/24/33/49/976243349.db2.gz QRYVVFFNSWPVPI-UHFFFAOYSA-N 0 0 216.244 1.811 20 10 BDCDRN CN(c1cnn(C)c1)c1ccc(N)cc1 ZINC001174332022 976543218 /nfs/dbraw/zinc/54/32/18/976543218.db2.gz FCVRMFYJHFZKHF-UHFFFAOYSA-N 0 0 202.261 1.770 20 10 BDCDRN Cc1cc(N(CCO)c2ccc(N)cc2)n(C)n1 ZINC001174823041 977083328 /nfs/dbraw/zinc/08/33/28/977083328.db2.gz GJNAAQFUQRSELM-UHFFFAOYSA-N 0 0 246.314 1.441 20 10 BDCDRN CCO/C=C/C(=O)N1Cc2cccc(O)c2C1 ZINC001175038308 977230959 /nfs/dbraw/zinc/23/09/59/977230959.db2.gz QBLQKPMEUDWOSU-VOTSOKGWSA-N 0 0 233.267 1.785 20 10 BDCDRN O=C([O-])c1ccc(O)c(C[NH+]2CC=CC2)c1 ZINC001231560321 977637413 /nfs/dbraw/zinc/63/74/13/977637413.db2.gz GLYZIMGYDQXITR-UHFFFAOYSA-N 0 0 219.240 1.462 20 10 BDCDRN CC(=O)[C@H]1CN(Cc2cccc(C)c2O)CCO1 ZINC001231594476 977644287 /nfs/dbraw/zinc/64/42/87/977644287.db2.gz FZVFSNPRCVTYSC-CYBMUJFWSA-N 0 0 249.310 1.490 20 10 BDCDRN Cc1nc(N)ncc1Nc1cccc(O)c1O ZINC001175669313 977648745 /nfs/dbraw/zinc/64/87/45/977648745.db2.gz LTVGIPNLYHMXMF-UHFFFAOYSA-N 0 0 232.243 1.522 20 10 BDCDRN O=C1CN(Cc2ccc3ccccc3c2O)C1 ZINC001231880694 977782496 /nfs/dbraw/zinc/78/24/96/977782496.db2.gz CTZRBQQKDKDYLQ-UHFFFAOYSA-N 0 0 227.263 1.930 20 10 BDCDRN COC1CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259905 977982160 /nfs/dbraw/zinc/98/21/60/977982160.db2.gz NFKKLIJZQQQFAE-UHFFFAOYSA-N 0 0 243.690 1.582 20 10 BDCDRN O=C1CCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232267625 977987626 /nfs/dbraw/zinc/98/76/26/977987626.db2.gz JVJHGFUCTCCNIK-UHFFFAOYSA-N 0 0 241.674 1.526 20 10 BDCDRN O=C1CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001232269082 977990015 /nfs/dbraw/zinc/99/00/15/977990015.db2.gz VGVRDYSAJOGKGM-UHFFFAOYSA-N 0 0 227.647 1.136 20 10 BDCDRN CC(C)(F)C(=O)NCc1cc(O)ccc1O ZINC001176748347 978171179 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CC(C)(O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000877835040 590431903 /nfs/dbraw/zinc/43/19/03/590431903.db2.gz FHHUNVWOMGOQMI-GFCCVEGCSA-N 0 0 235.327 1.985 20 10 BDCDRN C[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)O1 ZINC000127828512 590795168 /nfs/dbraw/zinc/79/51/68/590795168.db2.gz NEZHNSGSMXQBNT-BXKDBHETSA-N 0 0 235.283 1.576 20 10 BDCDRN O=C(NCc1ccccc1O)c1ccc(=O)[nH]c1 ZINC000133778059 591856791 /nfs/dbraw/zinc/85/67/91/591856791.db2.gz ZTPDZDLBTGULOA-UHFFFAOYSA-N 0 0 244.250 1.011 20 10 BDCDRN COCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134906262 591957649 /nfs/dbraw/zinc/95/76/49/591957649.db2.gz LBKBDFFXJBTQTI-ZETCQYMHSA-N 0 0 231.242 1.967 20 10 BDCDRN C[C@@H]1CCC(=O)CN1C(=O)C1=CC(=O)CS1 ZINC000885079611 592047691 /nfs/dbraw/zinc/04/76/91/592047691.db2.gz ZBALNFXBTVSBNQ-SSDOTTSWSA-N 0 0 239.296 1.647 20 10 BDCDRN Oc1ccccc1CNc1n[nH]c2c1COCC2 ZINC000886207376 592176383 /nfs/dbraw/zinc/17/63/83/592176383.db2.gz AVTQEFOTIQJHLK-UHFFFAOYSA-N 0 0 245.282 1.800 20 10 BDCDRN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1c([O-])cccc1F ZINC000886543169 592255488 /nfs/dbraw/zinc/25/54/88/592255488.db2.gz LIVPPSBYLVVUBP-JGVFFNPUSA-N 0 0 240.278 1.446 20 10 BDCDRN C[C@H]([NH2+][C@H]1CCOC1)c1c([O-])cccc1F ZINC000886554748 592259388 /nfs/dbraw/zinc/25/93/88/592259388.db2.gz BICCFANHUVTQOJ-IUCAKERBSA-N 0 0 225.263 1.971 20 10 BDCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1c([O-])cccc1F ZINC000886629575 592281415 /nfs/dbraw/zinc/28/14/15/592281415.db2.gz IRTIBOZLBGKLHA-FXBDTBDDSA-N 0 0 225.263 1.705 20 10 BDCDRN C[C@H]([NH2+][C@H](CO)CCF)c1c([O-])cccc1F ZINC000886632760 592283403 /nfs/dbraw/zinc/28/34/03/592283403.db2.gz DFWJNPMHJRFDEQ-IUCAKERBSA-N 0 0 245.269 1.902 20 10 BDCDRN C[C@H](CC(=O)[O-])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000738892960 597000749 /nfs/dbraw/zinc/00/07/49/597000749.db2.gz XRYVEQUCTXCGEV-SECBINFHSA-N 0 0 235.283 1.574 20 10 BDCDRN C[C@H](CC[NH2+]Cc1ccccc1O)NC(=O)[O-] ZINC000738909176 602649883 /nfs/dbraw/zinc/64/98/83/602649883.db2.gz ZZZOXMZGRBTSIK-SECBINFHSA-N 0 0 238.287 1.528 20 10 BDCDRN CCn1ncnc1CNCc1ccccc1O ZINC000228413823 632472384 /nfs/dbraw/zinc/47/23/84/632472384.db2.gz JMHBFCPJILCFFX-UHFFFAOYSA-N 0 0 232.287 1.293 20 10 BDCDRN CN1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000162861380 633040184 /nfs/dbraw/zinc/04/01/84/633040184.db2.gz KQUSQGYUGUCHFX-JTQLQIEISA-N 0 0 240.734 1.839 20 10 BDCDRN C[C@H]1CN(C)C(=O)CN1Cc1ccccc1O ZINC000783733204 633161020 /nfs/dbraw/zinc/16/10/20/633161020.db2.gz KVNGLAXAURUBQU-JTQLQIEISA-N 0 0 234.299 1.055 20 10 BDCDRN CN(Cc1cccc(Cl)c1[O-])C1C[NH2+]C1 ZINC000309662591 633220290 /nfs/dbraw/zinc/22/02/90/633220290.db2.gz YOGLELWPMLHIRF-UHFFFAOYSA-N 0 0 226.707 1.449 20 10 BDCDRN CO[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000049086461 636011561 /nfs/dbraw/zinc/01/15/61/636011561.db2.gz PUOUPJKVEPUAKD-JTQLQIEISA-N 0 0 236.315 1.404 20 10 BDCDRN CC(=O)C(=O)COC(=O)C[C@H]1CC=CCC1 ZINC000924246379 635547459 /nfs/dbraw/zinc/54/74/59/635547459.db2.gz XNJQYMPSJGRUAF-JTQLQIEISA-N 0 0 224.256 1.434 20 10 BDCDRN 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CSCCNC(=O)Nc1ccc(N)cc1 ZINC000069015597 643439583 /nfs/dbraw/zinc/43/95/83/643439583.db2.gz YXLVIQFQVATEGJ-UHFFFAOYSA-N 0 0 225.317 1.753 20 10 BDCDRN CN(CC(=O)N(C)C1CC1)c1ccc(N)cc1 ZINC000049305762 643616860 /nfs/dbraw/zinc/61/68/60/643616860.db2.gz LQVHJYLYMCTDMW-UHFFFAOYSA-N 0 0 233.315 1.326 20 10 BDCDRN Cc1nccc(C(=O)Nc2ccc(N)cc2)n1 ZINC000195309041 644375529 /nfs/dbraw/zinc/37/55/29/644375529.db2.gz ZOOBSBYPIQNGPQ-UHFFFAOYSA-N 0 0 228.255 1.620 20 10 BDCDRN CCOC(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000782064423 644740037 /nfs/dbraw/zinc/74/00/37/644740037.db2.gz GGTLHYUATXMBAD-UHFFFAOYSA-N 0 0 243.328 1.999 20 10 BDCDRN CCn1ccnc1SCC(=O)C(C)=O ZINC000808020696 644869921 /nfs/dbraw/zinc/86/99/21/644869921.db2.gz LBCPILQMYUXSFA-UHFFFAOYSA-N 0 0 212.274 1.153 20 10 BDCDRN CC(=O)C(=O)COC(=O)C[C@H]1CCCC[C@H]1C ZINC000808509246 644883153 /nfs/dbraw/zinc/88/31/53/644883153.db2.gz NWBMLBQHCCTNDO-MWLCHTKSSA-N 0 0 240.299 1.904 20 10 BDCDRN CC(=O)C(=O)COC(=O)c1cc(C)c(C)s1 ZINC000808505093 644883438 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385122784 /nfs/dbraw/zinc/12/27/84/385122784.db2.gz LPAZQRGZTONJLE-UHFFFAOYSA-N 0 0 227.279 2.000 20 10 BDCDRN C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745811 385187276 /nfs/dbraw/zinc/18/72/76/385187276.db2.gz XANCXORUHDNVIG-HTQZYQBOSA-N 0 0 213.252 1.563 20 10 BDCDRN CO[C@@H](C)CNC(=O)c1ccc(C)c(O)c1O ZINC000189627370 385173891 /nfs/dbraw/zinc/17/38/91/385173891.db2.gz GWTBAPXSSPDDQQ-QMMMGPOBSA-N 0 0 239.271 1.171 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CCC=C(F)C1 ZINC000279835179 385212901 /nfs/dbraw/zinc/21/29/01/385212901.db2.gz NQNHCVDLTOAHKN-UHFFFAOYSA-N 0 0 237.230 1.797 20 10 BDCDRN Cc1ccc(C(=O)NCC2CCC2)c(O)c1O ZINC000177671500 385271115 /nfs/dbraw/zinc/27/11/15/385271115.db2.gz OMVYQSKDXSITPS-UHFFFAOYSA-N 0 0 235.283 1.936 20 10 BDCDRN CCOCCNC(=O)c1ccc(C)c(O)c1O ZINC000177673148 385271183 /nfs/dbraw/zinc/27/11/83/385271183.db2.gz RQJVVWAZYUJHMF-UHFFFAOYSA-N 0 0 239.271 1.173 20 10 BDCDRN CCOc1cccc(C[NH2+]C[C@H](C)OC)c1O ZINC000191206120 385292092 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ZINC000876504264 590204048 /nfs/dbraw/zinc/20/40/48/590204048.db2.gz LDIDMAPUXNFOLD-ZDUSSCGKSA-N 0 0 247.298 1.124 20 10 BDCDRN CON1CCC(C(=O)Nc2ccc(N)cc2)CC1 ZINC000876503853 590204148 /nfs/dbraw/zinc/20/41/48/590204148.db2.gz FNZTVFWNRSMLDV-UHFFFAOYSA-N 0 0 249.314 1.481 20 10 BDCDRN COCC[N@H+](C)Cc1c(C)cccc1O ZINC000876564199 590216556 /nfs/dbraw/zinc/21/65/56/590216556.db2.gz JQNMNLNRBPPFNT-UHFFFAOYSA-N 0 0 209.289 1.779 20 10 BDCDRN Cc1ccc(C[NH2+][C@@H](CCO)C2CC2)c(O)c1 ZINC000877058789 590276377 /nfs/dbraw/zinc/27/63/77/590276377.db2.gz GHOJODXPCKLMLR-ZDUSSCGKSA-N 0 0 235.327 1.951 20 10 BDCDRN CCC[NH2+][C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077791 590279350 /nfs/dbraw/zinc/27/93/50/590279350.db2.gz USFPRZXMRQFWMK-JTQLQIEISA-N 0 0 235.331 1.620 20 10 BDCDRN Cc1ccc(C[N@@H+](C)C[C@H](C)O)c(O)c1 ZINC000877320678 590314930 /nfs/dbraw/zinc/31/49/30/590314930.db2.gz QEBVBNOJXLNNDX-JTQLQIEISA-N 0 0 209.289 1.513 20 10 BDCDRN Cc1cccc(O)c1CN(C)Cc1nncn1C ZINC000877529368 590348933 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/nfs/dbraw/zinc/39/55/42/590395542.db2.gz MKUUVPUHTOAWPV-UHFFFAOYSA-N 0 0 230.271 1.037 20 10 BDCDRN O=C(NC1CSC1)c1c(F)ccc(O)c1O ZINC000880729857 591131011 /nfs/dbraw/zinc/13/10/11/591131011.db2.gz INDRRZLERFPLGQ-UHFFFAOYSA-N 0 0 243.259 1.082 20 10 BDCDRN CC(=O)C(=O)CSc1ccc(C)nn1 ZINC000882128394 591301608 /nfs/dbraw/zinc/30/16/08/591301608.db2.gz XKXLUEJEJLODTI-UHFFFAOYSA-N 0 0 210.258 1.035 20 10 BDCDRN COc1ccc(O)c(CNC(=O)C2(C)CC2)c1 ZINC000133457943 591797960 /nfs/dbraw/zinc/79/79/60/591797960.db2.gz UBDFLYUSAKANJJ-UHFFFAOYSA-N 0 0 235.283 1.817 20 10 BDCDRN C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134914109 591959121 /nfs/dbraw/zinc/95/91/21/591959121.db2.gz IXANYTFAWCRUIM-RQJHMYQMSA-N 0 0 231.242 1.702 20 10 BDCDRN CC(=O)C(=O)COC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884640301 592000195 /nfs/dbraw/zinc/00/01/95/592000195.db2.gz ZQYMWFCKROJJKC-UWVGGRQHSA-N 0 0 224.256 1.124 20 10 BDCDRN COCCOC(=O)N[C@H](C)c1ccccc1O ZINC000885343823 592071053 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ZINC000037252562 597135266 /nfs/dbraw/zinc/13/52/66/597135266.db2.gz XXXFOHMDNFFVGN-UHFFFAOYSA-N 0 0 223.272 1.568 20 10 BDCDRN COc1ccc(C[NH2+][C@H](C)C(=O)[O-])cc1C ZINC000049357715 597152103 /nfs/dbraw/zinc/15/21/03/597152103.db2.gz SHHRDAGTJAEWNC-SECBINFHSA-N 0 0 223.272 1.566 20 10 BDCDRN Cc1ccc(O)c(C[NH2+]CCN(C)C(=O)[O-])c1 ZINC000740142806 602876812 /nfs/dbraw/zinc/87/68/12/602876812.db2.gz HEEFRAQTDHLBCB-UHFFFAOYSA-N 0 0 238.287 1.400 20 10 BDCDRN CCNC(=O)CN(C)Cc1cc(F)ccc1O ZINC000226562610 635436861 /nfs/dbraw/zinc/43/68/61/635436861.db2.gz DVJYEMGIRACPTM-UHFFFAOYSA-N 0 0 240.278 1.099 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC(O)CC1 ZINC000893902152 635637411 /nfs/dbraw/zinc/63/74/11/635637411.db2.gz UFVFQQGHMCWRDS-UHFFFAOYSA-N 0 0 243.253 1.627 20 10 BDCDRN CC1(C(=O)NCc2ccc(N)cc2)CC1 ZINC000308820813 631711842 /nfs/dbraw/zinc/71/18/42/631711842.db2.gz QOHFPKZWYKIJIR-UHFFFAOYSA-N 0 0 204.273 1.685 20 10 BDCDRN Nc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000051988695 632038646 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1.352 20 10 BDCDRN COC[C@H](C)C[NH2+]Cc1ccccc1O ZINC000045655969 344575801 /nfs/dbraw/zinc/57/58/01/344575801.db2.gz IFNALPYDBKWDBG-SNVBAGLBSA-N 0 0 209.289 1.764 20 10 BDCDRN Cc1ccc([C@@H](C)NCC(F)(F)CO)c(O)c1 ZINC000184705191 187311222 /nfs/dbraw/zinc/31/12/22/187311222.db2.gz XJRIBXJGNHLPCH-SECBINFHSA-N 0 0 245.269 1.979 20 10 BDCDRN Cc1cccc(CN(C)Cc2nncn2C)c1O ZINC000290247160 179070537 /nfs/dbraw/zinc/07/05/37/179070537.db2.gz VHYDYBVWSSIYRC-UHFFFAOYSA-N 0 0 246.314 1.461 20 10 BDCDRN CCN1CC(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000189887994 347313332 /nfs/dbraw/zinc/31/33/32/347313332.db2.gz IVIXEXVIPYIZHA-ZDUSSCGKSA-N 0 0 233.315 1.203 20 10 BDCDRN CCN1CCN(Cc2cc(C)ccc2O)CC1=O ZINC000273377325 351524678 /nfs/dbraw/zinc/52/46/78/351524678.db2.gz GDGRUUIMIFVAPP-UHFFFAOYSA-N 0 0 248.326 1.365 20 10 BDCDRN CC1(C)CC[C@H](C(=O)NCc2ccccc2O)O1 ZINC000279655601 351820683 /nfs/dbraw/zinc/82/06/83/351820683.db2.gz BVVPCQSYKBDPJP-GFCCVEGCSA-N 0 0 249.310 1.966 20 10 BDCDRN CC1(C)C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1O ZINC000280438110 351844301 /nfs/dbraw/zinc/84/43/01/351844301.db2.gz KAROWCASTHCVAE-LLVKDONJSA-N 0 0 239.290 1.734 20 10 BDCDRN CC1(C)C[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1O ZINC000280438122 351844460 /nfs/dbraw/zinc/84/44/60/351844460.db2.gz KAROWCASTHCVAE-NSHDSACASA-N 0 0 239.290 1.734 20 10 BDCDRN CC(=O)C(=O)CSc1nc(C)cs1 ZINC000289737198 187921620 /nfs/dbraw/zinc/92/16/20/187921620.db2.gz TVSIGNVPBKLJMT-UHFFFAOYSA-N 0 0 215.299 1.702 20 10 BDCDRN O=Cc1cnc(Sc2nccs2)nc1 ZINC000126772566 353254965 /nfs/dbraw/zinc/25/49/65/353254965.db2.gz IJVDKGUIIJZFBX-UHFFFAOYSA-N 0 0 223.282 1.897 20 10 BDCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCOCC1 ZINC000165417609 353353180 /nfs/dbraw/zinc/35/31/80/353353180.db2.gz ZGZFPYBHJTXLBG-UHFFFAOYSA-N 0 0 225.263 1.754 20 10 BDCDRN CS(=O)(=O)CCSc1nccs1 ZINC000064660935 353680238 /nfs/dbraw/zinc/68/02/38/353680238.db2.gz ZGZYOMGYIHGHSG-UHFFFAOYSA-N 0 0 223.344 1.280 20 10 BDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCOC1 ZINC000297193291 353840117 /nfs/dbraw/zinc/84/01/17/353840117.db2.gz VKWXEWCICGQTOM-HWKANZROSA-N 0 0 249.266 1.317 20 10 BDCDRN NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173957216 181259206 /nfs/dbraw/zinc/25/92/06/181259206.db2.gz JJCMYAWYVJUFMW-UHFFFAOYSA-N 0 0 220.272 1.439 20 10 BDCDRN O=C(C[C@@H]1CCCCO1)NCc1ccccc1O ZINC000122674133 182017102 /nfs/dbraw/zinc/01/71/02/182017102.db2.gz LCMLJSBJWLAASX-LBPRGKRZSA-N 0 0 249.310 1.968 20 10 BDCDRN O=C(NCc1ccccc1O)[C@H]1CCCO1 ZINC000136335220 182258578 /nfs/dbraw/zinc/25/85/78/182258578.db2.gz CXDUQGSKARPVPW-LLVKDONJSA-N 0 0 221.256 1.187 20 10 BDCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCCCO)c1 ZINC000193250584 182937119 /nfs/dbraw/zinc/93/71/19/182937119.db2.gz OLMIYQRQOYWXNN-UHFFFAOYSA-N 0 0 240.259 1.163 20 10 BDCDRN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1CO ZINC000272347380 183121308 /nfs/dbraw/zinc/12/13/08/183121308.db2.gz ZYEIYRRSWBLSON-JTQLQIEISA-N 0 0 225.263 1.488 20 10 BDCDRN [O-]c1c(F)cccc1C[NH2+]C1CCOCC1 ZINC000165151604 183254755 /nfs/dbraw/zinc/25/47/55/183254755.db2.gz GNRAZUOJEVTVAO-UHFFFAOYSA-N 0 0 225.263 1.800 20 10 BDCDRN CN(Cc1ncc[nH]1)Cc1ccccc1O ZINC000111235372 383843566 /nfs/dbraw/zinc/84/35/66/383843566.db2.gz XXVKREPDJSFXIG-UHFFFAOYSA-N 0 0 217.272 1.747 20 10 BDCDRN Cn1cnc(CNCc2ccc3c(c2)CCO3)n1 ZINC000092852464 384197072 /nfs/dbraw/zinc/19/70/72/384197072.db2.gz JQPCZNDTCWIJGA-UHFFFAOYSA-N 0 0 244.298 1.040 20 10 BDCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000132564281 384236968 /nfs/dbraw/zinc/23/69/68/384236968.db2.gz FVXYZVVNJUXEBA-IUCAKERBSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@H](CCO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000133551863 384254754 /nfs/dbraw/zinc/25/47/54/384254754.db2.gz AUFUXJGZDCVEDN-MRVPVSSYSA-N 0 0 229.707 1.906 20 10 BDCDRN CC[C@@H](CO)[NH2+]Cc1cccc(F)c1[O-] ZINC000083347402 384297881 /nfs/dbraw/zinc/29/78/81/384297881.db2.gz ZIBJVNZXWUCVSH-VIFPVBQESA-N 0 0 213.252 1.392 20 10 BDCDRN Nc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000160422451 384411545 /nfs/dbraw/zinc/41/15/45/384411545.db2.gz SIMNAKHLOLOVMA-WOPDTQHZSA-N 0 0 232.283 1.775 20 10 BDCDRN CCN(Cc1ccc(N(C)C)cc1)C(N)=O ZINC000078269005 384436666 /nfs/dbraw/zinc/43/66/66/384436666.db2.gz SICACEHGQLUQKG-UHFFFAOYSA-N 0 0 221.304 1.653 20 10 BDCDRN CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173194356 384663362 /nfs/dbraw/zinc/66/33/62/384663362.db2.gz LBPKEZOMEZEFKZ-UHFFFAOYSA-N 0 0 220.272 1.498 20 10 BDCDRN C[C@@H](NCC(F)(F)CO)c1ccccc1O ZINC000184699854 384641101 /nfs/dbraw/zinc/64/11/01/384641101.db2.gz KDYHHEOWCGIOPK-MRVPVSSYSA-N 0 0 231.242 1.670 20 10 BDCDRN CC(C)(C)NC(=O)c1cccc(O)c1O ZINC000126189901 384743969 /nfs/dbraw/zinc/74/39/69/384743969.db2.gz OZAAWYUXUYOKIE-UHFFFAOYSA-N 0 0 209.245 1.626 20 10 BDCDRN COC[C@@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000126293391 384789525 /nfs/dbraw/zinc/78/95/25/384789525.db2.gz AYAUFPMGNVEREF-MRVPVSSYSA-N 0 0 239.271 1.205 20 10 BDCDRN C[C@H](C[S@@](C)=O)[NH2+]Cc1cccc(F)c1[O-] ZINC000164406443 384980893 /nfs/dbraw/zinc/98/08/93/384980893.db2.gz GTTGYFZPKKAVOG-BCTVWOGZSA-N 0 0 245.319 1.388 20 10 BDCDRN C[C@@H](O)CCN(C)C(=O)Cc1ccc(N)cc1 ZINC000157067386 385066865 /nfs/dbraw/zinc/06/68/65/385066865.db2.gz RSBWKDLIMFBRCE-SNVBAGLBSA-N 0 0 236.315 1.041 20 10 BDCDRN CCN(C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC000165160703 385076800 /nfs/dbraw/zinc/07/68/00/385076800.db2.gz NCWYZEBKPAOLAF-UHFFFAOYSA-N 0 0 226.295 1.573 20 10 BDCDRN C[C@@H]([NH2+]CCCO)c1ccc(F)cc1[O-] ZINC000062745301 385182872 /nfs/dbraw/zinc/18/28/72/385182872.db2.gz GEUUHYINOYKGMH-MRVPVSSYSA-N 0 0 213.252 1.564 20 10 BDCDRN C[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000052268074 385268602 /nfs/dbraw/zinc/26/86/02/385268602.db2.gz KNJSDBRWBOHMPQ-LDYMZIIASA-N 0 0 204.273 1.336 20 10 BDCDRN Cc1ccc(O)c(CN(CCO)CC(F)F)c1 ZINC000193027982 385381538 /nfs/dbraw/zinc/38/15/38/385381538.db2.gz QBORWHUNHKQXDP-UHFFFAOYSA-N 0 0 245.269 1.760 20 10 BDCDRN CO[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1 ZINC000193109329 385384725 /nfs/dbraw/zinc/38/47/25/385384725.db2.gz MLZBXMDSSQZKGQ-QMMMGPOBSA-N 0 0 245.300 1.169 20 10 BDCDRN CC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000229964454 385695168 /nfs/dbraw/zinc/69/51/68/385695168.db2.gz FMWBNHUDXHVKFK-WPRPVWTQSA-N 0 0 227.279 1.953 20 10 BDCDRN COC(C)(C)CC(=O)NCc1ccccc1O ZINC000230939089 385769539 /nfs/dbraw/zinc/76/95/39/385769539.db2.gz QIECTKSRINLDLD-UHFFFAOYSA-N 0 0 237.299 1.824 20 10 BDCDRN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccccc1O ZINC000183634980 385780833 /nfs/dbraw/zinc/78/08/33/385780833.db2.gz UGZXZNAWYNRMJK-SNVBAGLBSA-N 0 0 237.299 1.806 20 10 BDCDRN CC[N@H+](CCCO)Cc1cccc(F)c1[O-] ZINC000272315258 385893862 /nfs/dbraw/zinc/89/38/62/385893862.db2.gz SKSUHSOYCWDBPR-UHFFFAOYSA-N 0 0 227.279 1.736 20 10 BDCDRN C[C@]1(O)CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272340891 385896071 /nfs/dbraw/zinc/89/60/71/385896071.db2.gz YPUPYOHKBKNWIE-ZDUSSCGKSA-N 0 0 239.290 1.878 20 10 BDCDRN C[C@H]([NH2+]CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441747 386000965 /nfs/dbraw/zinc/00/09/65/386000965.db2.gz YSAMYZGQCMVLFH-QMMMGPOBSA-N 0 0 240.259 1.333 20 10 BDCDRN CCN(CC(=O)N1CCC1)c1ccc(OC)cc1 ZINC000299382218 386444828 /nfs/dbraw/zinc/44/48/28/386444828.db2.gz ODNBAZCRXGYENN-UHFFFAOYSA-N 0 0 248.326 1.754 20 10 BDCDRN CS[C@@H](C)C(=O)NCc1ccccc1O ZINC000299581550 386466689 /nfs/dbraw/zinc/46/66/89/386466689.db2.gz RDHLFKXRGFOWBV-QMMMGPOBSA-N 0 0 225.313 1.760 20 10 BDCDRN CCO[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000299571649 386468343 /nfs/dbraw/zinc/46/83/43/386468343.db2.gz PLTPADOKQSHFJU-ZYHUDNBSSA-N 0 0 235.283 1.433 20 10 BDCDRN CC[C@@H]([NH2+]CCO)c1ccc(F)cc1[O-] ZINC000285809231 387277535 /nfs/dbraw/zinc/27/75/35/387277535.db2.gz VTMIGPHHDGBVIX-SNVBAGLBSA-N 0 0 213.252 1.564 20 10 BDCDRN CO[C@H](C)CN(C)C(=O)c1cccc(O)c1O ZINC000286395368 387578621 /nfs/dbraw/zinc/57/86/21/387578621.db2.gz MWAFFLWCIRCXTL-MRVPVSSYSA-N 0 0 239.271 1.205 20 10 BDCDRN CN(C)c1ccc2c(c1)OCCN2CCCO ZINC000266865873 132187548 /nfs/dbraw/zinc/18/75/48/132187548.db2.gz MUUACYKRFUOWBA-UHFFFAOYSA-N 0 0 236.315 1.334 20 10 BDCDRN CC(C)(C)NC(=O)NCc1ccccc1O ZINC000130806527 166621407 /nfs/dbraw/zinc/62/14/07/166621407.db2.gz HLIPDVLUJYBYNX-UHFFFAOYSA-N 0 0 222.288 1.990 20 10 BDCDRN CC(C)NC(=O)CN(C)c1ccc(N)cc1 ZINC000020374457 167049795 /nfs/dbraw/zinc/04/97/95/167049795.db2.gz UDIDPGAAKXLEMX-UHFFFAOYSA-N 0 0 221.304 1.230 20 10 BDCDRN COC(=O)CN(C)Cc1cc(F)ccc1O ZINC000179935289 410911376 /nfs/dbraw/zinc/91/13/76/410911376.db2.gz QEVSVBWJYCFDKL-UHFFFAOYSA-N 0 0 227.235 1.136 20 10 BDCDRN CC1(O)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272310430 168067536 /nfs/dbraw/zinc/06/75/36/168067536.db2.gz RNFGGEPRQPYFAU-UHFFFAOYSA-N 0 0 239.290 1.878 20 10 BDCDRN CCOC(=O)CSc1ncc([N+](=O)[O-])s1 ZINC000195505276 170229636 /nfs/dbraw/zinc/22/96/36/170229636.db2.gz IHIPIEQOUNWGBM-UHFFFAOYSA-N 0 0 248.285 1.707 20 10 BDCDRN CCOC(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000109770186 170265885 /nfs/dbraw/zinc/26/58/85/170265885.db2.gz ZHJHTPVUDZPAOE-JTQLQIEISA-N 0 0 237.299 1.776 20 10 BDCDRN CCOC(=O)[C@H](C)N[C@@H](C)c1ccccc1O ZINC000049368733 170268151 /nfs/dbraw/zinc/26/81/51/170268151.db2.gz HRXSUWAXZYXWAL-UWVGGRQHSA-N 0 0 237.299 1.994 20 10 BDCDRN CCOC(=O)[C@H](CC)SCC(=O)C(C)=O ZINC000289708895 170272615 /nfs/dbraw/zinc/27/26/15/170272615.db2.gz RJRQBLYVXRWCKJ-VIFPVBQESA-N 0 0 232.301 1.219 20 10 BDCDRN CC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)O1 ZINC000268268065 171644703 /nfs/dbraw/zinc/64/47/03/171644703.db2.gz SCKRTXXBQFWARL-WCQYABFASA-N 0 0 249.310 1.966 20 10 BDCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCOC1 ZINC000135262191 172315508 /nfs/dbraw/zinc/31/55/08/172315508.db2.gz XCLBHFWCVFETKH-LBPRGKRZSA-N 0 0 234.299 1.059 20 10 BDCDRN CN(C(=O)c1cccc(O)c1O)C1CC1 ZINC000163269617 172342425 /nfs/dbraw/zinc/34/24/25/172342425.db2.gz NGIFFFFVSXKAMU-UHFFFAOYSA-N 0 0 207.229 1.332 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)C1CC1 ZINC000070262927 172876967 /nfs/dbraw/zinc/87/69/67/172876967.db2.gz LWYAAMHMJVSXAT-UHFFFAOYSA-N 0 0 205.257 1.761 20 10 BDCDRN CNC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191582103 173271747 /nfs/dbraw/zinc/27/17/47/173271747.db2.gz CXQSCROFRLFHOX-UHFFFAOYSA-N 0 0 236.315 1.656 20 10 BDCDRN CNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000048644783 173284491 /nfs/dbraw/zinc/28/44/91/173284491.db2.gz FIPADAHVCZBNOV-UHFFFAOYSA-N 0 0 221.304 1.524 20 10 BDCDRN COC(=O)C(C)(C)NCc1ccc2c(c1)CCO2 ZINC000037363409 173506295 /nfs/dbraw/zinc/50/62/95/173506295.db2.gz MAYBYBKSSDUQRJ-UHFFFAOYSA-N 0 0 249.310 1.663 20 10 BDCDRN COC(=O)c1cnc(SCCCCO)s1 ZINC000295351265 173906918 /nfs/dbraw/zinc/90/69/18/173906918.db2.gz QTTJRDBTVXBYFW-UHFFFAOYSA-N 0 0 247.341 1.794 20 10 BDCDRN COCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000165417175 174280825 /nfs/dbraw/zinc/28/08/25/174280825.db2.gz WEEQXRDHKFAIGJ-UHFFFAOYSA-N 0 0 213.252 1.610 20 10 BDCDRN COCCN(C)c1ccc2c(c1)OCO2 ZINC000121247887 174283189 /nfs/dbraw/zinc/28/31/89/174283189.db2.gz DMGQLFLNPRMAOC-UHFFFAOYSA-N 0 0 209.245 1.498 20 10 BDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H]1C ZINC000294043994 176262077 /nfs/dbraw/zinc/26/20/77/176262077.db2.gz KHMVLFXUWZAZJE-HTQZYQBOSA-N 0 0 221.256 1.578 20 10 BDCDRN C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000126193161 177095424 /nfs/dbraw/zinc/09/54/24/177095424.db2.gz HFAOFJZAHGWFCP-VIFPVBQESA-N 0 0 235.283 1.970 20 10 BDCDRN C[C@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000163277128 177345075 /nfs/dbraw/zinc/34/50/75/177345075.db2.gz JMIGHOVMOIZQLV-JGVFFNPUSA-N 0 0 221.256 1.484 20 10 BDCDRN C[C@]1(NCc2ccc3c(c2)CCO3)CCOC1=O ZINC000289910252 177470567 /nfs/dbraw/zinc/47/05/67/177470567.db2.gz USTAMMWBKNQTIZ-AWEZNQCLSA-N 0 0 247.294 1.417 20 10 BDCDRN CN(C(=O)/C=C/c1cccnc1)c1ccn(C)n1 ZINC000492729314 226042878 /nfs/dbraw/zinc/04/28/78/226042878.db2.gz AMDPBIBTEUUUDA-AATRIKPKSA-N 0 0 242.282 1.491 20 10 BDCDRN O=[N+]([O-])c1cnc(S[C@H]2CCOC2)s1 ZINC000799960407 586203472 /nfs/dbraw/zinc/20/34/72/586203472.db2.gz UHOBDVQDHTYGBA-YFKPBYRVSA-N 0 0 232.286 1.932 20 10 BDCDRN C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)CO ZINC000294926013 488025259 /nfs/dbraw/zinc/02/52/59/488025259.db2.gz ZCZVTPGDRMGDHD-UHFFFAOYSA-N 0 0 241.306 1.982 20 10 BDCDRN COCC(=O)NCc1cccc(Cl)c1O ZINC000890758913 582536948 /nfs/dbraw/zinc/53/69/48/582536948.db2.gz ZMUODTMYOIDJNP-UHFFFAOYSA-N 0 0 229.663 1.308 20 10 BDCDRN Cc1ccc(C(=O)N2CCCCN2)c(O)c1O ZINC000854427523 588786424 /nfs/dbraw/zinc/78/64/24/588786424.db2.gz DJKDFRITJBEQQT-UHFFFAOYSA-N 0 0 236.271 1.147 20 10 BDCDRN Cc1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)c(O)c1O ZINC000856060694 588858718 /nfs/dbraw/zinc/85/87/18/588858718.db2.gz ATORDSXQUUSHIJ-UWVGGRQHSA-N 0 0 247.294 1.888 20 10 BDCDRN Cc1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)c(O)c1O ZINC000856060693 588858806 /nfs/dbraw/zinc/85/88/06/588858806.db2.gz ATORDSXQUUSHIJ-NXEZZACHSA-N 0 0 247.294 1.888 20 10 BDCDRN COc1ccc(O)c(CNC(=O)c2cn[nH]c2)c1 ZINC000114543047 588874978 /nfs/dbraw/zinc/87/49/78/588874978.db2.gz KLSKXXGPBYUUPD-UHFFFAOYSA-N 0 0 247.254 1.054 20 10 BDCDRN COCC1C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000895976283 583753387 /nfs/dbraw/zinc/75/33/87/583753387.db2.gz NIMUZCAPWURXMS-UHFFFAOYSA-N 0 0 243.253 1.749 20 10 BDCDRN COCC1C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000895976991 583755468 /nfs/dbraw/zinc/75/54/68/583755468.db2.gz XDDIPURYBLQUAB-UHFFFAOYSA-N 0 0 243.253 1.749 20 10 BDCDRN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CO1 ZINC000896637136 583819146 /nfs/dbraw/zinc/81/91/46/583819146.db2.gz IBZFBIHRLWRWGX-DTWKUNHWSA-N 0 0 225.263 1.798 20 10 BDCDRN [O-]c1cccc(F)c1C[NH2+]C1CSC1 ZINC000896638581 583820055 /nfs/dbraw/zinc/82/00/55/583820055.db2.gz VXPOBQWLNLGHMI-UHFFFAOYSA-N 0 0 213.277 1.736 20 10 BDCDRN CCO[C@@]1(C)C[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000862863816 583971567 /nfs/dbraw/zinc/97/15/67/583971567.db2.gz QGLDVESMUFSSGV-KOLCDFICSA-N 0 0 241.312 1.751 20 10 BDCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1 ZINC000898194253 584096453 /nfs/dbraw/zinc/09/64/53/584096453.db2.gz WSJKCZPCVUTXHF-YPMHNXCESA-N 0 0 239.290 1.605 20 10 BDCDRN CCC[C@H](CC)C(=O)OCC(=O)C(C)=O ZINC000873421498 584242002 /nfs/dbraw/zinc/24/20/02/584242002.db2.gz RZAOMDAJSHIGSU-VIFPVBQESA-N 0 0 214.261 1.514 20 10 BDCDRN C/C=C/[C@H](O)C(=O)N(C)Cc1ccccc1O ZINC000901055604 584379966 /nfs/dbraw/zinc/37/99/66/584379966.db2.gz QBYNODILTQGWLK-UXONFWTHSA-N 0 0 235.283 1.288 20 10 BDCDRN O=C(CCF)NCCc1ccc(O)c(O)c1 ZINC000901124737 584387415 /nfs/dbraw/zinc/38/74/15/584387415.db2.gz ZPBTUIDRELDCPN-UHFFFAOYSA-N 0 0 227.235 1.116 20 10 BDCDRN CC(C)(F)CNC(=O)Cc1ccc(N)cc1 ZINC000877123939 584890733 /nfs/dbraw/zinc/89/07/33/584890733.db2.gz GHSXHNAQSZYCJV-UHFFFAOYSA-N 0 0 224.279 1.676 20 10 BDCDRN Cn1ccnc1C(=O)NCc1ccccc1O ZINC000741264277 584914806 /nfs/dbraw/zinc/91/48/06/584914806.db2.gz RJOFCFIAOUYDGL-UHFFFAOYSA-N 0 0 231.255 1.056 20 10 BDCDRN COC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731865630 584929961 /nfs/dbraw/zinc/92/99/61/584929961.db2.gz NNRRIZXTSQPRBZ-UHFFFAOYSA-N 0 0 241.312 1.705 20 10 BDCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)CO1 ZINC000731868504 584930604 /nfs/dbraw/zinc/93/06/04/584930604.db2.gz HAZFGEBOASWYFR-JGVFFNPUSA-N 0 0 241.312 1.703 20 10 BDCDRN O=C(COC(=O)C1=CC(=O)CS1)C1CC1 ZINC000732353783 584936087 /nfs/dbraw/zinc/93/60/87/584936087.db2.gz VICIGSDTAVVCJF-UHFFFAOYSA-N 0 0 226.253 1.590 20 10 BDCDRN CC1(CO)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000839144880 585092086 /nfs/dbraw/zinc/09/20/86/585092086.db2.gz BVNXIBQCKPHSCM-UHFFFAOYSA-N 0 0 241.718 1.860 20 10 BDCDRN CCN(C)c1ccc(CN2CCOCC2)cc1 ZINC000741752662 585117606 /nfs/dbraw/zinc/11/76/06/585117606.db2.gz DNQRZUJKNIIZRP-UHFFFAOYSA-N 0 0 234.343 1.975 20 10 BDCDRN Nc1ccc(NC(=O)/C=C\c2cnccn2)cc1 ZINC000746480344 585168329 /nfs/dbraw/zinc/16/83/29/585168329.db2.gz YIINCVHAQUGKTI-WAYWQWQTSA-N 0 0 240.266 1.711 20 10 BDCDRN CCN(CC(C)(C)O)C(=O)C1=CC(=O)CS1 ZINC000748420175 585192842 /nfs/dbraw/zinc/19/28/42/585192842.db2.gz XRERLDLZRCKNGP-UHFFFAOYSA-N 0 0 243.328 1.687 20 10 BDCDRN O=C(NCc1ccoc1)NCc1ccccc1O ZINC000748460215 585193285 /nfs/dbraw/zinc/19/32/85/585193285.db2.gz LMXUEVPUFDWEMP-UHFFFAOYSA-N 0 0 246.266 1.985 20 10 BDCDRN CN(C(=O)C1=CC(=O)CS1)c1cnn(C)c1 ZINC000751070565 585223872 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VORXJEYZIPMWTG-CYBMUJFWSA-N 0 0 245.326 1.829 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000862760450 589237900 /nfs/dbraw/zinc/23/79/00/589237900.db2.gz RAEANDHKCCMGKH-LBPRGKRZSA-N 0 0 248.326 1.411 20 10 BDCDRN CCO[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862760793 589237942 /nfs/dbraw/zinc/23/79/42/589237942.db2.gz WDFSALCWANFFAU-SNVBAGLBSA-N 0 0 237.299 1.742 20 10 BDCDRN CC(C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000864415602 589360387 /nfs/dbraw/zinc/36/03/87/589360387.db2.gz CSHRABOBXPYYBW-UHFFFAOYSA-N 0 0 220.272 1.826 20 10 BDCDRN O=C(N1CCCC1)N1Cc2cccc(O)c2C1 ZINC000866100298 589476071 /nfs/dbraw/zinc/47/60/71/589476071.db2.gz PFRYEUIAPFYKLI-UHFFFAOYSA-N 0 0 232.283 1.924 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C2CSC2)c1 ZINC000869411887 589604467 /nfs/dbraw/zinc/60/44/67/589604467.db2.gz VRBKOUDGEAOIKT-UHFFFAOYSA-N 0 0 237.324 1.680 20 10 BDCDRN CC(=O)C(=O)COC(=O)C1(C(F)F)CCC1 ZINC000869707518 589624335 /nfs/dbraw/zinc/62/43/35/589624335.db2.gz RUGMYGSIRAGRTO-UHFFFAOYSA-N 0 0 234.198 1.123 20 10 BDCDRN CSCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871199407 589744036 /nfs/dbraw/zinc/74/40/36/589744036.db2.gz PSXHLGCNPDLSRI-UHFFFAOYSA-N 0 0 237.324 1.988 20 10 BDCDRN CC(C)(CO)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204413 589744553 /nfs/dbraw/zinc/74/45/53/589744553.db2.gz IHCBYQRXGFUIEQ-UHFFFAOYSA-N 0 0 235.283 1.253 20 10 BDCDRN O=C(C1CSC1)N1Cc2cccc(O)c2C1 ZINC000871205845 589745197 /nfs/dbraw/zinc/74/51/97/589745197.db2.gz LNTILBGZIXQOBM-UHFFFAOYSA-N 0 0 235.308 1.597 20 10 BDCDRN CC(C)(O)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871204663 589745667 /nfs/dbraw/zinc/74/56/67/589745667.db2.gz OEPAVLZFVFECDX-UHFFFAOYSA-N 0 0 235.283 1.395 20 10 BDCDRN CC(=O)C(=O)COC(=O)C1(OC(C)C)CCC1 ZINC000873442040 590045306 /nfs/dbraw/zinc/04/53/06/590045306.db2.gz NZGJDTVRUJIYOG-UHFFFAOYSA-N 0 0 242.271 1.035 20 10 BDCDRN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000874047370 590087376 /nfs/dbraw/zinc/08/73/76/590087376.db2.gz WUDIGSNZALAUKE-AOOOYVTPSA-N 0 0 221.256 1.345 20 10 BDCDRN Cc1ccc(CNc2cnn(CCO)c2)c(O)c1 ZINC000877122555 590289114 /nfs/dbraw/zinc/28/91/14/590289114.db2.gz YHMCYDWLUYDOQZ-UHFFFAOYSA-N 0 0 247.298 1.502 20 10 BDCDRN Cc1cccc(O)c1C[N@@H+](C)C[C@@H](C)O ZINC000877320728 590315773 /nfs/dbraw/zinc/31/57/73/590315773.db2.gz SMVGCDMLSBGWNO-SNVBAGLBSA-N 0 0 209.289 1.513 20 10 BDCDRN Cc1ccc(CN2CC(=O)N(C)[C@H](C)C2)c(O)c1 ZINC000877501971 590341156 /nfs/dbraw/zinc/34/11/56/590341156.db2.gz XFIPJWYSCWBMCK-LLVKDONJSA-N 0 0 248.326 1.363 20 10 BDCDRN Cn1ncc2c1CN(Cc1ccccc1O)C2 ZINC000877633043 590379264 /nfs/dbraw/zinc/37/92/64/590379264.db2.gz WYBCHDBRWMTSOQ-UHFFFAOYSA-N 0 0 229.283 1.642 20 10 BDCDRN Cc1cc(NC(=O)c2cccc(O)c2O)n[nH]1 ZINC000126646683 590392061 /nfs/dbraw/zinc/39/20/61/590392061.db2.gz GRHOLUNMYQSLJM-UHFFFAOYSA-N 0 0 233.227 1.382 20 10 BDCDRN Oc1cccc2c1CN(Cc1cocn1)C2 ZINC000877703029 590395609 /nfs/dbraw/zinc/39/56/09/590395609.db2.gz OXGJSFIGAZOREH-UHFFFAOYSA-N 0 0 216.240 1.896 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)COC2CC2)c1 ZINC000880837275 591146040 /nfs/dbraw/zinc/14/60/40/591146040.db2.gz KUBZKWQNTYIHMS-UHFFFAOYSA-N 0 0 235.283 1.496 20 10 BDCDRN CCCn1cc(COc2ccc(N)cc2)nn1 ZINC000880953512 591154914 /nfs/dbraw/zinc/15/49/14/591154914.db2.gz JIBXQABUMIDSLP-UHFFFAOYSA-N 0 0 232.287 1.849 20 10 BDCDRN C/C=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000211389473 591164370 /nfs/dbraw/zinc/16/43/70/591164370.db2.gz PCPXLEODDNWHLT-PLNGDYQASA-N 0 0 218.300 1.945 20 10 BDCDRN CCOC(=O)c1cnc(SC[C@H](C)O)s1 ZINC000882738442 591425483 /nfs/dbraw/zinc/42/54/83/591425483.db2.gz VEONQQOFQSQPGG-LURJTMIESA-N 0 0 247.341 1.793 20 10 BDCDRN Nc1ccc(CC(=O)NOCC(F)(F)F)cc1 ZINC000135263352 592000151 /nfs/dbraw/zinc/00/01/51/592000151.db2.gz XIIXTEMFFIQXEW-UHFFFAOYSA-N 0 0 248.204 1.421 20 10 BDCDRN C[C@@H]1C(=O)CCCN1C(=O)c1cccc(O)c1O ZINC000885052247 592040644 /nfs/dbraw/zinc/04/06/44/592040644.db2.gz PKICPKYSHSYIGL-MRVPVSSYSA-N 0 0 249.266 1.291 20 10 BDCDRN COCCOC(=O)N1Cc2cccc(O)c2C1 ZINC000885338147 592069577 /nfs/dbraw/zinc/06/95/77/592069577.db2.gz GJAOOGALMVTFOE-UHFFFAOYSA-N 0 0 237.255 1.491 20 10 BDCDRN Cc1nc(C(=O)N(C)Cc2ccccc2O)no1 ZINC000136712325 592149058 /nfs/dbraw/zinc/14/90/58/592149058.db2.gz ROJNIWGXZRAKLX-UHFFFAOYSA-N 0 0 247.254 1.356 20 10 BDCDRN C[C@H](CCO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530091 592247543 /nfs/dbraw/zinc/24/75/43/592247543.db2.gz CUFFGJFBAVBWRI-RKDXNWHRSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532761 592249793 /nfs/dbraw/zinc/24/97/93/592249793.db2.gz OIOYBVBETSUOGR-YUMQZZPRSA-N 0 0 213.252 1.563 20 10 BDCDRN COc1ccc(C[NH2+][C@@H](C)C(=O)[O-])cc1C ZINC000049357710 597303618 /nfs/dbraw/zinc/30/36/18/597303618.db2.gz SHHRDAGTJAEWNC-VIFPVBQESA-N 0 0 223.272 1.566 20 10 BDCDRN Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000086726639 598134220 /nfs/dbraw/zinc/13/42/20/598134220.db2.gz IVJHIRJHUIYJPR-NSHDSACASA-N 0 0 235.283 1.750 20 10 BDCDRN Cc1cccc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1O ZINC000158741871 598193842 /nfs/dbraw/zinc/19/38/42/598193842.db2.gz HSOOKTOJOUGTEE-LLVKDONJSA-N 0 0 237.299 1.899 20 10 BDCDRN CC1(C)COC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000313038378 634442008 /nfs/dbraw/zinc/44/20/08/634442008.db2.gz ZXLZFDNDSXWRRQ-NSHDSACASA-N 0 0 249.314 1.815 20 10 BDCDRN CC(=O)NCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000308292708 631273263 /nfs/dbraw/zinc/27/32/63/631273263.db2.gz IFGISWILOBRNJI-UHFFFAOYSA-N 0 0 240.278 1.099 20 10 BDCDRN COc1ccc(N(C)CC(C)=O)cc1OC ZINC000258885781 631661500 /nfs/dbraw/zinc/66/15/00/631661500.db2.gz IPYIVBPJQJKDEP-UHFFFAOYSA-N 0 0 223.272 1.729 20 10 BDCDRN O=C(NCc1ccccc1O)c1cccc(=O)[nH]1 ZINC000236562824 632980259 /nfs/dbraw/zinc/98/02/59/632980259.db2.gz QZKBVBUKKHZXEV-UHFFFAOYSA-N 0 0 244.250 1.011 20 10 BDCDRN Cc1nccc(NCCc2ccc(O)c(O)c2)n1 ZINC000085689428 633928860 /nfs/dbraw/zinc/92/88/60/633928860.db2.gz ISZQFDWWDUNZAD-UHFFFAOYSA-N 0 0 245.282 1.851 20 10 BDCDRN C=Cn1cc(C=C2SC(=S)NC2=O)cn1 ZINC000194517901 634319651 /nfs/dbraw/zinc/31/96/51/634319651.db2.gz NEFDNDUCDYLXKI-XVNBXDOJSA-N 0 0 237.309 1.472 20 10 BDCDRN C[C@@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000194952192 634342568 /nfs/dbraw/zinc/34/25/68/634342568.db2.gz HPFNYFMUHJKQAV-SNVBAGLBSA-N 0 0 236.315 1.332 20 10 BDCDRN Cn1cccc1CNC(=S)NC1(C)CCC1 ZINC000840733439 636573943 /nfs/dbraw/zinc/57/39/43/636573943.db2.gz RCFNVBSQQZGIOZ-UHFFFAOYSA-N 0 0 237.372 1.932 20 10 BDCDRN C[C@@H]([NH2+]CCCON)c1ccc(F)cc1[O-] ZINC000902425914 637304852 /nfs/dbraw/zinc/30/48/52/637304852.db2.gz PFMZOBLAIYMRNF-MRVPVSSYSA-N 0 0 228.267 1.462 20 10 BDCDRN NOCCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000904458364 637420838 /nfs/dbraw/zinc/42/08/38/637420838.db2.gz XMKWABHMJLSYMS-UHFFFAOYSA-N 0 0 248.685 1.555 20 10 BDCDRN CC(C)(C)C(=O)NCc1ccc(O)cc1O ZINC000910952544 639542861 /nfs/dbraw/zinc/54/28/61/639542861.db2.gz XKLMJNBLSJLMDI-UHFFFAOYSA-N 0 0 223.272 1.760 20 10 BDCDRN C/C=C\[C@H](O)C(=O)NCc1cc(C)ccc1O ZINC000913000694 640270630 /nfs/dbraw/zinc/27/06/30/640270630.db2.gz RQENMWZJQKUENM-MVZIDQBPSA-N 0 0 235.283 1.254 20 10 BDCDRN CCNC(=O)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000163727482 640413990 /nfs/dbraw/zinc/41/39/90/640413990.db2.gz LHVUFGHVFGCOSH-UHFFFAOYSA-N 0 0 242.706 1.271 20 10 BDCDRN CC[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000226349346 640752839 /nfs/dbraw/zinc/75/28/39/640752839.db2.gz RQTFDAFACYARLO-ZYHUDNBSSA-N 0 0 218.300 1.726 20 10 BDCDRN Nc1ccc(CCNC(=O)C2CCOCC2)cc1 ZINC000061671047 640987459 /nfs/dbraw/zinc/98/74/59/640987459.db2.gz QFABQTPBEQIAAX-UHFFFAOYSA-N 0 0 248.326 1.354 20 10 BDCDRN COc1ccc(N2CC[C@@H](CNC(C)=O)C2)cc1 ZINC000062574801 641063265 /nfs/dbraw/zinc/06/32/65/641063265.db2.gz CJJWAEGYKMMAAU-LBPRGKRZSA-N 0 0 248.326 1.658 20 10 BDCDRN O=C(NCc1ccc(O)c(O)c1)[C@]12C[C@H]1CCC2 ZINC000934944156 641308728 /nfs/dbraw/zinc/30/87/28/641308728.db2.gz OYJBKTPIBXJIBE-QMTHXVAHSA-N 0 0 247.294 1.904 20 10 BDCDRN COc1cccc(CNC(=O)c2ccc[nH]2)c1O ZINC000155514760 641573270 /nfs/dbraw/zinc/57/32/70/641573270.db2.gz ZBTIHXMKUFIIOT-UHFFFAOYSA-N 0 0 246.266 1.659 20 10 BDCDRN Cn1cccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000159008559 641661782 /nfs/dbraw/zinc/66/17/82/641661782.db2.gz VWUFYHRNAZDDEI-UHFFFAOYSA-N 0 0 246.266 1.366 20 10 BDCDRN CCN1CC(=O)N[C@H]1c1cc(C)c(C)cc1O ZINC000189872678 641823418 /nfs/dbraw/zinc/82/34/18/641823418.db2.gz LFWWSWBUCZYQJR-CYBMUJFWSA-N 0 0 234.299 1.459 20 10 BDCDRN Cc1n[nH]c(C)c1C=C1SC(=S)NC1=O ZINC000915653633 641848954 /nfs/dbraw/zinc/84/89/54/641848954.db2.gz FFKXWIHFEDIZGD-CLTKARDFSA-N 0 0 239.325 1.515 20 10 BDCDRN COC(=O)/C=C(/C)C[N@H+](C)Cc1ccccc1O ZINC000929969864 642034255 /nfs/dbraw/zinc/03/42/55/642034255.db2.gz FEEILKSVDCICMG-FLIBITNWSA-N 0 0 249.310 1.943 20 10 BDCDRN CCN1C(=O)/C(=C\c2ncc[nH]2)SC1=S ZINC000920241238 642464424 /nfs/dbraw/zinc/46/44/24/642464424.db2.gz PEMUBDYQYNIJBB-AATRIKPKSA-N 0 0 239.325 1.631 20 10 BDCDRN C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC[C@H]1O ZINC000305745869 642685846 /nfs/dbraw/zinc/68/58/46/642685846.db2.gz OXXVDSISGAZFLD-GXTWGEPZSA-N 0 0 235.327 1.985 20 10 BDCDRN C[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@@H]1O ZINC000305745875 642687293 /nfs/dbraw/zinc/68/72/93/642687293.db2.gz OXXVDSISGAZFLD-OCCSQVGLSA-N 0 0 235.327 1.985 20 10 BDCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2C)c1O ZINC000068488614 642778206 /nfs/dbraw/zinc/77/82/06/642778206.db2.gz YLAVUKZVOIRKRU-WPRPVWTQSA-N 0 0 235.283 1.673 20 10 BDCDRN CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183480950 643135315 /nfs/dbraw/zinc/13/53/15/643135315.db2.gz ZNXKXPYAKWXBLH-VIFPVBQESA-N 0 0 237.299 1.945 20 10 BDCDRN C[C@@]1(CNC(=O)C2=CC(=O)CS2)CCOC1 ZINC000733365016 643333905 /nfs/dbraw/zinc/33/39/05/643333905.db2.gz YVKSPLPSIAMXTB-NSHDSACASA-N 0 0 241.312 1.610 20 10 BDCDRN COC1(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000843519935 643368557 /nfs/dbraw/zinc/36/85/57/643368557.db2.gz NSKOSMDQFWMVSM-UHFFFAOYSA-N 0 0 248.326 1.548 20 10 BDCDRN CN1CC[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000160413889 643578044 /nfs/dbraw/zinc/57/80/44/643578044.db2.gz KIJNXDZDWABEKY-SECBINFHSA-N 0 0 247.298 1.076 20 10 BDCDRN O=C(OCCOC1CC1)C1=CC(=O)CS1 ZINC000922440366 643995558 /nfs/dbraw/zinc/99/55/58/643995558.db2.gz RGLDHTHVXRAKCL-UHFFFAOYSA-N 0 0 228.269 1.790 20 10 BDCDRN [O-]c1c(Cl)cccc1CN1CC[NH2+]CC1 ZINC000083056291 644399023 /nfs/dbraw/zinc/39/90/23/644399023.db2.gz IPXBBTIXJZPWTN-UHFFFAOYSA-N 0 0 226.707 1.451 20 10 BDCDRN CCN(C)C(=O)NCCc1ccc(N)cc1 ZINC000085964728 644454510 /nfs/dbraw/zinc/45/45/10/644454510.db2.gz VLAXFBMZSHMIGL-UHFFFAOYSA-N 0 0 221.304 1.473 20 10 BDCDRN CCc1ccsc1C(=O)OCC(=O)C(C)=O ZINC000808508300 644882954 /nfs/dbraw/zinc/88/29/54/644882954.db2.gz ZJHUIKUIMUZJRK-UHFFFAOYSA-N 0 0 240.280 1.625 20 10 BDCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827827196 645086694 /nfs/dbraw/zinc/08/66/94/645086694.db2.gz QHNCVLLUKRDOEW-KYZUINATSA-N 0 0 227.691 1.659 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)NCC2CC2)c1 ZINC000858116771 645670039 /nfs/dbraw/zinc/67/00/39/645670039.db2.gz XEPZNIUGOPJSEK-UHFFFAOYSA-N 0 0 234.299 1.910 20 10 BDCDRN CN(C)c1ccc(C[NH2+]C2CC(C(=O)[O-])C2)cc1 ZINC000871881890 645764370 /nfs/dbraw/zinc/76/43/70/645764370.db2.gz NRKRWDHOQKLCFP-UHFFFAOYSA-N 0 0 248.326 1.705 20 10 BDCDRN CON(C)Cc1ccc(N2CCOCC2)cc1 ZINC000929235853 646027139 /nfs/dbraw/zinc/02/71/39/646027139.db2.gz BCJSLPQHYDOONT-UHFFFAOYSA-N 0 0 236.315 1.516 20 10 BDCDRN CC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708394192 712192976 /nfs/dbraw/zinc/19/29/76/712192976.db2.gz RNOKAFISHOBQLC-VIFPVBQESA-N 0 0 231.242 1.531 20 10 BDCDRN Cc1ccoc1CNC(=O)c1cccc(O)c1O ZINC000386829366 711036811 /nfs/dbraw/zinc/03/68/11/711036811.db2.gz QBDCDSBLQOUANX-UHFFFAOYSA-N 0 0 247.250 1.929 20 10 BDCDRN CC1(C)OCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000392896513 711154184 /nfs/dbraw/zinc/15/41/84/711154184.db2.gz DBHRDGBOYRJRLR-NSHDSACASA-N 0 0 249.314 1.958 20 10 BDCDRN Cc1ncc(NC(=O)c2cccc(O)c2O)cn1 ZINC000395273064 711207430 /nfs/dbraw/zinc/20/74/30/711207430.db2.gz URGMFFAQKYMBQI-UHFFFAOYSA-N 0 0 245.238 1.449 20 10 BDCDRN Cc1ccc([C@H](C)NCc2nnn(C)n2)c(O)c1 ZINC000398084873 711401105 /nfs/dbraw/zinc/40/11/05/711401105.db2.gz PLRIEHDUNWDEKU-VIFPVBQESA-N 0 0 247.302 1.075 20 10 BDCDRN C[C@]1(CNC(=O)Nc2ccc(N)cc2)CCOC1 ZINC000397113564 711376164 /nfs/dbraw/zinc/37/61/64/711376164.db2.gz FANPINLRUUXLTC-CYBMUJFWSA-N 0 0 249.314 1.817 20 10 BDCDRN C[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O ZINC000309445875 711682421 /nfs/dbraw/zinc/68/24/21/711682421.db2.gz PLSKMDNDHXRABW-APPZFPTMSA-N 0 0 221.256 1.626 20 10 BDCDRN CCOC1CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000382757734 711831633 /nfs/dbraw/zinc/83/16/33/711831633.db2.gz RJODBAVYIMDPLT-UHFFFAOYSA-N 0 0 235.287 1.521 20 10 BDCDRN CN(CCN1CCOC1=O)c1ccc(N)cc1 ZINC000702055959 712037351 /nfs/dbraw/zinc/03/73/51/712037351.db2.gz PFAMMSTXRWHQRN-UHFFFAOYSA-N 0 0 235.287 1.157 20 10 BDCDRN C[C@H](O)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703271546 712069070 /nfs/dbraw/zinc/06/90/70/712069070.db2.gz BEMNFCWMLVNZPU-ZETCQYMHSA-N 0 0 231.242 1.531 20 10 BDCDRN C[C@H]1COC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703271785 712069186 /nfs/dbraw/zinc/06/91/86/712069186.db2.gz DJXUUXPMDVLYIW-OIBJUYFYSA-N 0 0 243.253 1.795 20 10 BDCDRN C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417475 712073958 /nfs/dbraw/zinc/07/39/58/712073958.db2.gz LUGAHLGAVUFXQG-NKWVEPMBSA-N 0 0 231.242 1.529 20 10 BDCDRN [O-]c1c(C[NH2+]CC2(O)CCC2)ccc(F)c1F ZINC000703395962 712075120 /nfs/dbraw/zinc/07/51/20/712075120.db2.gz WIHKFEOGCMWLBS-UHFFFAOYSA-N 0 0 243.253 1.675 20 10 BDCDRN [O-]c1c(C[NH2+]C[C@H]2CCCO2)ccc(F)c1F ZINC000703393669 712075187 /nfs/dbraw/zinc/07/51/87/712075187.db2.gz ALARYRPZGYRWMD-SECBINFHSA-N 0 0 243.253 1.939 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCO ZINC000708388899 712191980 /nfs/dbraw/zinc/19/19/80/712191980.db2.gz JKNYENYIPKVPFP-UHFFFAOYSA-N 0 0 217.215 1.142 20 10 BDCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCOC1 ZINC000708412066 712193398 /nfs/dbraw/zinc/19/33/98/712193398.db2.gz FPCCBNMHOQHVPC-JTQLQIEISA-N 0 0 243.253 1.891 20 10 BDCDRN C[C@]1([NH2+]Cc2cc(F)cc(F)c2[O-])CCOC1 ZINC000708442482 712195016 /nfs/dbraw/zinc/19/50/16/712195016.db2.gz MLYWHPROSKCSSC-LBPRGKRZSA-N 0 0 243.253 1.939 20 10 BDCDRN C[C@@H](CCCO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708485644 712210971 /nfs/dbraw/zinc/21/09/71/712210971.db2.gz MHKRWOVZCVSBPI-QMMMGPOBSA-N 0 0 245.269 1.921 20 10 BDCDRN CC(C)[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708487467 712211000 /nfs/dbraw/zinc/21/10/00/712211000.db2.gz XZPQSUMLOSSKBW-LLVKDONJSA-N 0 0 245.269 1.777 20 10 BDCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](C)O ZINC000708535839 712211920 /nfs/dbraw/zinc/21/19/20/712211920.db2.gz QVFBBKVLGHYADE-HQJQHLMTSA-N 0 0 245.269 1.919 20 10 BDCDRN C[C@H](O)CN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000709493297 712222998 /nfs/dbraw/zinc/22/29/98/712222998.db2.gz XBLYPGWYKVFNAZ-VIFPVBQESA-N 0 0 249.314 1.646 20 10 BDCDRN CC(C)(F)CCNC(=O)c1cccc(O)c1O ZINC000710991796 712272875 /nfs/dbraw/zinc/27/28/75/712272875.db2.gz VSICLWDEOZFHQY-UHFFFAOYSA-N 0 0 241.262 1.966 20 10 BDCDRN Nc1ccc(CC(=O)N2C[C@@H]3C[C@@H]3C2)cc1 ZINC000379522500 712387210 /nfs/dbraw/zinc/38/72/10/712387210.db2.gz PECWQZDRRKKXQA-PHIMTYICSA-N 0 0 216.284 1.290 20 10 BDCDRN CO[C@H]1C[C@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000714687621 712495878 /nfs/dbraw/zinc/49/58/78/712495878.db2.gz QNUVVBCBNFCAOZ-OTCDBFHCSA-N 0 0 249.314 1.815 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@@H]2C)c1 ZINC000862757868 712619225 /nfs/dbraw/zinc/61/92/25/712619225.db2.gz GXVFXQLDVFRQQG-ZYHUDNBSSA-N 0 0 249.310 1.742 20 10 BDCDRN Oc1ccc(Cl)cc1CN1CC2(COC2)C1 ZINC001203648170 966719238 /nfs/dbraw/zinc/71/92/38/966719238.db2.gz FKGUOVJEDNKKDM-UHFFFAOYSA-N 0 0 239.702 1.878 20 10 BDCDRN COc1cccc(O)c1C[NH2+][C@@H](C)CC(=O)[O-] ZINC001594131623 977514991 /nfs/dbraw/zinc/51/49/91/977514991.db2.gz HMUVHAOCEHPXNI-QMMMGPOBSA-N 0 0 239.271 1.354 20 10 BDCDRN CC1(O)CN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122842 979820619 /nfs/dbraw/zinc/82/06/19/979820619.db2.gz ZOROSBQVQWVNIO-UHFFFAOYSA-N 0 0 245.681 1.751 20 10 BDCDRN Cc1cc(F)cc(CN(C)C2COC2)c1O ZINC001238063557 980132458 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245.681 1.562 20 10 BDCDRN COc1ccc(O)c(C[NH+]2CC3(CN(C)C3)C2)c1 ZINC001203683666 966735912 /nfs/dbraw/zinc/73/59/12/966735912.db2.gz AGSSWELKPMUGRS-UHFFFAOYSA-N 0 0 248.326 1.148 20 10 BDCDRN COCC(=O)NCc1c(C)cc(C)cc1O ZINC001142823148 966773478 /nfs/dbraw/zinc/77/34/78/966773478.db2.gz KEXKSMRHTTYWPV-UHFFFAOYSA-N 0 0 223.272 1.272 20 10 BDCDRN CN(Cc1cnn(C)c1)Cc1ccc(O)c(O)c1 ZINC001203874122 966792490 /nfs/dbraw/zinc/79/24/90/966792490.db2.gz OUNSMBPTDSQGPM-UHFFFAOYSA-N 0 0 247.298 1.463 20 10 BDCDRN C[C@H]1CN(Cc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC001203873302 966802807 /nfs/dbraw/zinc/80/28/07/966802807.db2.gz BNKCPVOCVOEOBU-UWVGGRQHSA-N 0 0 237.299 1.707 20 10 BDCDRN C[C@@H]1COCCN1Cc1ccc(O)c(O)c1 ZINC001203875555 966804905 /nfs/dbraw/zinc/80/49/05/966804905.db2.gz PUIXKOLGMZAWCW-SECBINFHSA-N 0 0 223.272 1.319 20 10 BDCDRN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCC1=O ZINC001203876044 966804913 /nfs/dbraw/zinc/80/49/13/966804913.db2.gz ZWLHNCKAWNMQLQ-SECBINFHSA-N 0 0 235.283 1.509 20 10 BDCDRN Oc1ccc(CN2CCCOCC2)cc1O ZINC001203874451 966805419 /nfs/dbraw/zinc/80/54/19/966805419.db2.gz YOULIVSUDLUDMD-UHFFFAOYSA-N 0 0 223.272 1.320 20 10 BDCDRN CO[C@@H]1CN(Cc2ccc(O)c(O)c2)C[C@@H]1F ZINC001203875852 966806245 /nfs/dbraw/zinc/80/62/45/966806245.db2.gz XPABGTKJLFCDBH-JOYOIKCWSA-N 0 0 241.262 1.267 20 10 BDCDRN O=C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203875518 966806984 /nfs/dbraw/zinc/80/69/84/966806984.db2.gz OKCMHHBDOCFIJZ-UHFFFAOYSA-N 0 0 221.256 1.263 20 10 BDCDRN Oc1ccc(CN2C[C@H]3CC[C@@H]2CO3)cc1O ZINC001203883738 966808033 /nfs/dbraw/zinc/80/80/33/966808033.db2.gz MYPWVKCLYDXSAN-GHMZBOCLSA-N 0 0 235.283 1.461 20 10 BDCDRN Oc1ccc(CN2CCC(F)(F)C2)c(O)c1 ZINC001204272309 966951648 /nfs/dbraw/zinc/95/16/48/966951648.db2.gz NDXAMUHYGQUVPU-UHFFFAOYSA-N 0 0 229.226 1.939 20 10 BDCDRN COc1cc(CN(C)CCF)cc(O)c1O ZINC001204351399 966975323 /nfs/dbraw/zinc/97/53/23/966975323.db2.gz QREUVQIDKZDGNU-UHFFFAOYSA-N 0 0 229.251 1.508 20 10 BDCDRN Cc1snnc1-c1nc(-c2cccnc2)no1 ZINC001212405448 967067130 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Cc1cc(O)c(CN(C)CC(N)=O)cc1Cl ZINC000824556554 587276338 /nfs/dbraw/zinc/27/63/38/587276338.db2.gz YIBQFMUYLGJMTR-UHFFFAOYSA-N 0 0 242.706 1.271 20 10 BDCDRN C[C@H](O)CN(Cc1ccccc1O)CC(F)F ZINC000825098701 587303938 /nfs/dbraw/zinc/30/39/38/587303938.db2.gz MMNDIWHGXMCKJT-VIFPVBQESA-N 0 0 245.269 1.840 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)CC1(O)CCC1 ZINC000825480960 587321199 /nfs/dbraw/zinc/32/11/99/587321199.db2.gz DSECPNFSMHXZFU-UHFFFAOYSA-N 0 0 249.310 1.656 20 10 BDCDRN CN(Cc1c[nH]cn1)Cc1cc(F)ccc1O ZINC000826768525 587361541 /nfs/dbraw/zinc/36/15/41/587361541.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 0 0 235.262 1.886 20 10 BDCDRN Cc1nonc1C(=O)N[C@H](C)c1ccccc1O ZINC000827937339 587410951 /nfs/dbraw/zinc/41/09/51/587410951.db2.gz SOECHRKXTGAIBO-SSDOTTSWSA-N 0 0 247.254 1.575 20 10 BDCDRN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1C)c1ccccc1O ZINC000827940333 587411692 /nfs/dbraw/zinc/41/16/92/587411692.db2.gz AWBVTEWEMKHXSR-FOGDFJRCSA-N 0 0 249.310 1.994 20 10 BDCDRN CCCOCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978292 587414544 /nfs/dbraw/zinc/41/45/44/587414544.db2.gz OGLOCONGQGIDFN-JTQLQIEISA-N 0 0 237.299 1.996 20 10 BDCDRN CCOCC(=O)N[C@@H](C)c1ccccc1O ZINC000827985568 587415499 /nfs/dbraw/zinc/41/54/99/587415499.db2.gz LHQBFDHDSYWETG-VIFPVBQESA-N 0 0 223.272 1.606 20 10 BDCDRN CC(=O)CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827987170 587415548 /nfs/dbraw/zinc/41/55/48/587415548.db2.gz YRRGYEBQZPLWHO-JTQLQIEISA-N 0 0 235.283 1.939 20 10 BDCDRN COC(=O)c1cnc(SC[C@@H](C)CO)s1 ZINC000829681475 587508657 /nfs/dbraw/zinc/50/86/57/587508657.db2.gz XHZVVICCBDTSBE-LURJTMIESA-N 0 0 247.341 1.650 20 10 BDCDRN COC(=O)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000829715042 587511222 /nfs/dbraw/zinc/51/12/22/587511222.db2.gz RHZCZGLGTLUALW-ZCFIWIBFSA-N 0 0 243.284 1.135 20 10 BDCDRN CNC(=O)C1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC000832244747 587652107 /nfs/dbraw/zinc/65/21/07/587652107.db2.gz UCPZLMFUXJZQCU-UHFFFAOYSA-N 0 0 247.298 1.124 20 10 BDCDRN C[C@@H](F)CCNC(=O)C1=CC(=O)CS1 ZINC000832884402 587694037 /nfs/dbraw/zinc/69/40/37/587694037.db2.gz RTZQREGGGUZHKR-ZCFIWIBFSA-N 0 0 217.265 1.932 20 10 BDCDRN C[C@@H](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000833221149 587702920 /nfs/dbraw/zinc/70/29/20/587702920.db2.gz DRHXKIJRXFXEOT-MRVPVSSYSA-N 0 0 243.328 1.592 20 10 BDCDRN Cc1ccc(C(=O)N2CC[C@H](F)C2)c(O)c1O ZINC000836821142 587838629 /nfs/dbraw/zinc/83/86/29/587838629.db2.gz VPBZPUAQZRHZKA-QMMMGPOBSA-N 0 0 239.246 1.590 20 10 BDCDRN Cc1ccc(C(=O)N2CC[C@@H](F)C2)c(O)c1O ZINC000836821931 587838890 /nfs/dbraw/zinc/83/88/90/587838890.db2.gz VPBZPUAQZRHZKA-MRVPVSSYSA-N 0 0 239.246 1.590 20 10 BDCDRN CCC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000837258638 587862024 /nfs/dbraw/zinc/86/20/24/587862024.db2.gz LYGHKHLSZYYWHB-XQRVVYSFSA-N 0 0 247.294 1.979 20 10 BDCDRN C[C@@H](OCC1CC1)C(=O)NCc1ccc(N)cc1 ZINC000837303347 587864436 /nfs/dbraw/zinc/86/44/36/587864436.db2.gz IEXSJHMIXWVJGX-SNVBAGLBSA-N 0 0 248.326 1.700 20 10 BDCDRN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CC[NH2+]C1 ZINC000841045052 587938872 /nfs/dbraw/zinc/93/88/72/587938872.db2.gz MHQWMMGABDFHOP-ZETCQYMHSA-N 0 0 244.697 1.636 20 10 BDCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCNC1 ZINC000841043842 587939228 /nfs/dbraw/zinc/93/92/28/587939228.db2.gz XIJVCPFKTOKFHU-JTQLQIEISA-N 0 0 240.734 1.887 20 10 BDCDRN C[C@@H]1CC[C@H]1NC(=O)NCCc1ccc(N)cc1 ZINC000841902935 587983051 /nfs/dbraw/zinc/98/30/51/587983051.db2.gz GUPIVINDHKZZSR-ZWNOBZJWSA-N 0 0 247.342 1.909 20 10 BDCDRN C[C@@H]1CCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956485 587986955 /nfs/dbraw/zinc/98/69/55/587986955.db2.gz FTDIDEVLDZUFIO-LLVKDONJSA-N 0 0 247.342 1.863 20 10 BDCDRN CCn1ncc(CN[C@H](C)c2ccccc2O)n1 ZINC000845989528 588252606 /nfs/dbraw/zinc/25/26/06/588252606.db2.gz JATQKVNTKVMQQR-SNVBAGLBSA-N 0 0 246.314 1.854 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)OCC1CC1 ZINC000867416877 588265332 /nfs/dbraw/zinc/26/53/32/588265332.db2.gz IKHZSJPMFPYWAK-UHFFFAOYSA-N 0 0 237.255 1.734 20 10 BDCDRN C[C@@H](N=c1nc[nH]n1C)c1ccc(N(C)C)cc1 ZINC000846750954 588285310 /nfs/dbraw/zinc/28/53/10/588285310.db2.gz JLFUGBZFXXRUQC-SNVBAGLBSA-N 0 0 245.330 1.476 20 10 BDCDRN CC(=O)C(=O)COC(=O)C(C)=Cc1ccco1 ZINC000848835462 588414376 /nfs/dbraw/zinc/41/43/76/588414376.db2.gz BCPZXUCUDYPFJO-SOFGYWHQSA-N 0 0 236.223 1.384 20 10 BDCDRN CC[C@@](C)(O)c1cn(-c2ccc(N)cc2)nn1 ZINC000849134942 588453431 /nfs/dbraw/zinc/45/34/31/588453431.db2.gz XRMFFURZQQFIAQ-GFCCVEGCSA-N 0 0 232.287 1.467 20 10 BDCDRN Nc1ccc(-n2cc([C@@H](O)C3CC3)nn2)cc1 ZINC000849134580 588453463 /nfs/dbraw/zinc/45/34/63/588453463.db2.gz HNVPWRKMESMLGU-LBPRGKRZSA-N 0 0 230.271 1.293 20 10 BDCDRN CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849417537 588477440 /nfs/dbraw/zinc/47/74/40/588477440.db2.gz ULFNBKKGECLKIB-NSHDSACASA-N 0 0 248.326 1.800 20 10 BDCDRN C[C@H](O)CCOC(=O)C1=CC(=O)CS1 ZINC000849728654 588490627 /nfs/dbraw/zinc/49/06/27/588490627.db2.gz WNAXZDRNCXGHQD-LURJTMIESA-N 0 0 216.258 1.381 20 10 BDCDRN COC[C@@H](COC(=O)C1=CC(=O)CS1)OC ZINC000849728453 588490768 /nfs/dbraw/zinc/49/07/68/588490768.db2.gz SHGXTERDWGKYDS-QMMMGPOBSA-N 0 0 246.284 1.272 20 10 BDCDRN O=C(NCc1ccccc1O)N[C@H]1C=CCC1 ZINC000852509146 588687222 /nfs/dbraw/zinc/68/72/22/588687222.db2.gz VESFGDZTGVSHMU-NSHDSACASA-N 0 0 232.283 1.910 20 10 BDCDRN CCO/C=C\C(=O)NCc1cc(C)ccc1O ZINC000862755451 589237620 /nfs/dbraw/zinc/23/76/20/589237620.db2.gz HJBQEKRRMMJTFH-SREVYHEPSA-N 0 0 235.283 1.867 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC2(F)F)c1 ZINC000862755498 589237649 /nfs/dbraw/zinc/23/76/49/589237649.db2.gz UKEFIWNMUZJLLU-SECBINFHSA-N 0 0 241.237 1.972 20 10 BDCDRN CC(=O)C(=O)COc1cc(F)ccc1C ZINC000863349711 589282109 /nfs/dbraw/zinc/28/21/09/589282109.db2.gz VEPTZXBUNYQIRQ-UHFFFAOYSA-N 0 0 210.204 1.671 20 10 BDCDRN CN(CC(=O)NCC1CCC1)c1ccc(N)cc1 ZINC000863557015 589299004 /nfs/dbraw/zinc/29/90/04/589299004.db2.gz GTWREKCLWALMKW-UHFFFAOYSA-N 0 0 247.342 1.621 20 10 BDCDRN CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000204972246 589393202 /nfs/dbraw/zinc/39/32/02/589393202.db2.gz RSIUTQOYCFICQH-XQRVVYSFSA-N 0 0 207.229 1.199 20 10 BDCDRN CCNC(=S)N[C@H](C)c1ccccc1O ZINC000865269491 589417622 /nfs/dbraw/zinc/41/76/22/589417622.db2.gz OOXHUEKFHNWJAY-MRVPVSSYSA-N 0 0 224.329 1.937 20 10 BDCDRN CCNC(=S)N[C@@H](C)c1ccccc1O ZINC000865269492 589417770 /nfs/dbraw/zinc/41/77/70/589417770.db2.gz OOXHUEKFHNWJAY-QMMMGPOBSA-N 0 0 224.329 1.937 20 10 BDCDRN CCC[C@H](O)CCCSCC(=O)C(C)=O ZINC000865379277 589429339 /nfs/dbraw/zinc/42/93/39/589429339.db2.gz OQRPBHCFZMAHKS-JTQLQIEISA-N 0 0 232.345 1.819 20 10 BDCDRN C[C@H](NS(C)(=O)=O)c1ccccc1O ZINC000867834531 589536204 /nfs/dbraw/zinc/53/62/04/589536204.db2.gz QCZKMHGOKJRQNW-ZETCQYMHSA-N 0 0 215.274 1.002 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000869648898 589618723 /nfs/dbraw/zinc/61/87/23/589618723.db2.gz MCPNQMZIOKDIOC-RKDXNWHRSA-N 0 0 226.272 1.370 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@]12C[C@H]1CCCC2 ZINC000869705202 589624006 /nfs/dbraw/zinc/62/40/06/589624006.db2.gz XZVUEVMXODHWKF-BXKDBHETSA-N 0 0 224.256 1.268 20 10 BDCDRN O=C(N[C@H]1CCC[C@@H]1O)C1=CC(=O)CS1 ZINC000871113057 589728436 /nfs/dbraw/zinc/72/84/36/589728436.db2.gz CNMUXIAJAORZAT-YUMQZZPRSA-N 0 0 227.285 1.097 20 10 BDCDRN O=C(C[C@H]1CCCO1)N1Cc2cccc(O)c2C1 ZINC000871199599 589743430 /nfs/dbraw/zinc/74/34/30/589743430.db2.gz ZILHHQXEHQDYGH-LLVKDONJSA-N 0 0 247.294 1.804 20 10 BDCDRN CCO[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198978 589743450 /nfs/dbraw/zinc/74/34/50/589743450.db2.gz QQBFLONRALFRJW-VIFPVBQESA-N 0 0 235.283 1.659 20 10 BDCDRN CS[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871198311 589743461 /nfs/dbraw/zinc/74/34/61/589743461.db2.gz GYYXWVXKGKKOGQ-MRVPVSSYSA-N 0 0 237.324 1.986 20 10 BDCDRN O=C([C@@H]1CCCO1)N1Cc2cccc(O)c2C1 ZINC000871199790 589743873 /nfs/dbraw/zinc/74/38/73/589743873.db2.gz UXFRWQSOAZYYST-LBPRGKRZSA-N 0 0 233.267 1.413 20 10 BDCDRN O=C([C@H]1CCSC1)N1Cc2cccc(O)c2C1 ZINC000871203618 589744432 /nfs/dbraw/zinc/74/44/32/589744432.db2.gz OOYPBFJJHBOPDL-JTQLQIEISA-N 0 0 249.335 1.988 20 10 BDCDRN C[C@](O)(C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871204563 589744566 /nfs/dbraw/zinc/74/45/66/589744566.db2.gz GKWUIGCUCVUEMA-CQSZACIVSA-N 0 0 247.294 1.395 20 10 BDCDRN CCC[C@](C)(O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203422 589744752 /nfs/dbraw/zinc/74/47/52/589744752.db2.gz LNOBVBKVCWGKHV-AWEZNQCLSA-N 0 0 249.310 1.786 20 10 BDCDRN Cc1ccc(C[NH2+][C@H](CCO)C2CC2)c(O)c1 ZINC000877058788 590276186 /nfs/dbraw/zinc/27/61/86/590276186.db2.gz GHOJODXPCKLMLR-CYBMUJFWSA-N 0 0 235.327 1.951 20 10 BDCDRN Cc1cc(CNC(=O)c2cccc(O)c2O)no1 ZINC000126356308 590287410 /nfs/dbraw/zinc/28/74/10/590287410.db2.gz YLQADULGTBUGEJ-UHFFFAOYSA-N 0 0 248.238 1.324 20 10 BDCDRN C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877467643 590334270 /nfs/dbraw/zinc/33/42/70/590334270.db2.gz LNBVZBAUVHKQJK-CBAPKCEASA-N 0 0 243.253 1.626 20 10 BDCDRN CN(C)c1ccc(CN2CC(C)(O)C2)cc1F ZINC000877580379 590364958 /nfs/dbraw/zinc/36/49/58/590364958.db2.gz BHYJVAAVXJWSHS-UHFFFAOYSA-N 0 0 238.306 1.458 20 10 BDCDRN CCOC1CN(Cc2ccc(C)cc2O)C1 ZINC000877580798 590365966 /nfs/dbraw/zinc/36/59/66/590365966.db2.gz YPFBEPIOPLNXSG-UHFFFAOYSA-N 0 0 221.300 1.921 20 10 BDCDRN Cc1cc(CN2Cc3cccc(O)c3C2)nn1C ZINC000877703215 590396710 /nfs/dbraw/zinc/39/67/10/590396710.db2.gz WKDGPYAHECOMOJ-UHFFFAOYSA-N 0 0 243.310 1.950 20 10 BDCDRN O=C([O-])CC[NH2+]Cc1c(O)cccc1Cl ZINC000127250463 590601302 /nfs/dbraw/zinc/60/13/02/590601302.db2.gz NQZJJZIOBNRNEF-UHFFFAOYSA-N 0 0 229.663 1.610 20 10 BDCDRN COC(=O)[C@H](N[C@H](C)c1ccccc1O)C1CC1 ZINC000879649592 590841819 /nfs/dbraw/zinc/84/18/19/590841819.db2.gz WYSNYYPVYGJVGW-NOZJJQNGSA-N 0 0 249.310 1.994 20 10 BDCDRN CC(C)(F)CNC(=O)c1c(F)ccc(O)c1O ZINC000880900506 591149773 /nfs/dbraw/zinc/14/97/73/591149773.db2.gz QFAJCHZKAQPZDP-UHFFFAOYSA-N 0 0 245.225 1.715 20 10 BDCDRN COC[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000882100131 591298047 /nfs/dbraw/zinc/29/80/47/591298047.db2.gz CJFGRRBBNVOTGL-OCAPTIKFSA-N 0 0 241.312 1.609 20 10 BDCDRN NC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000884008771 591796264 /nfs/dbraw/zinc/79/62/64/591796264.db2.gz BBPLBMMKQTZRFB-BDAKNGLRSA-N 0 0 247.298 1.109 20 10 BDCDRN Cc1cc(C(=O)NCc2ccccc2O)n(C)n1 ZINC000133751267 591853253 /nfs/dbraw/zinc/85/32/53/591853253.db2.gz LDGVRJWSIRPFMV-UHFFFAOYSA-N 0 0 245.282 1.364 20 10 BDCDRN Cn1nccc1C(=O)NCc1ccccc1O ZINC000133832419 591861521 /nfs/dbraw/zinc/86/15/21/591861521.db2.gz IANINJDDQVWSJQ-UHFFFAOYSA-N 0 0 231.255 1.056 20 10 BDCDRN C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134914128 591958918 /nfs/dbraw/zinc/95/89/18/591958918.db2.gz IXANYTFAWCRUIM-RNFRBKRXSA-N 0 0 231.242 1.702 20 10 BDCDRN CCO[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000885332074 592068689 /nfs/dbraw/zinc/06/86/89/592068689.db2.gz DOSSQHYSQKTEIR-VIFPVBQESA-N 0 0 241.312 1.705 20 10 BDCDRN O=C(NCc1ccccc1O)c1ccon1 ZINC000136333988 592107759 /nfs/dbraw/zinc/10/77/59/592107759.db2.gz QTAJSFFPYCPLRO-UHFFFAOYSA-N 0 0 218.212 1.310 20 10 BDCDRN CC[C@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489734 592236013 /nfs/dbraw/zinc/23/60/13/592236013.db2.gz POEJCEFRAIURLA-DTWKUNHWSA-N 0 0 227.279 1.953 20 10 BDCDRN CC[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489733 592236050 /nfs/dbraw/zinc/23/60/50/592236050.db2.gz POEJCEFRAIURLA-BDAKNGLRSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1c([O-])cccc1F ZINC000886522915 592244421 /nfs/dbraw/zinc/24/44/21/592244421.db2.gz SYBPNBJNWVTUBA-ZJUUUORDSA-N 0 0 238.306 1.886 20 10 BDCDRN C[C@@H]([NH2+][C@@H](C)CCO)c1c([O-])cccc1F ZINC000886530089 592247582 /nfs/dbraw/zinc/24/75/82/592247582.db2.gz CUFFGJFBAVBWRI-DTWKUNHWSA-N 0 0 227.279 1.953 20 10 BDCDRN CC[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886637607 592286059 /nfs/dbraw/zinc/28/60/59/592286059.db2.gz ARFGLWKKSSLAET-RKDXNWHRSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@@H]1OCC[C@]1(C)NC(=O)Nc1ccc(N)cc1 ZINC000300561380 592515627 /nfs/dbraw/zinc/51/56/27/592515627.db2.gz BSSTUCMMGFMUNW-ZANVPECISA-N 0 0 249.314 1.958 20 10 BDCDRN C[N@H+](CC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000739631436 597054685 /nfs/dbraw/zinc/05/46/85/597054685.db2.gz GMCIFLDGXUGKSE-UHFFFAOYSA-N 0 0 235.283 1.397 20 10 BDCDRN CCOC(=O)[C@@H](C)NCc1cccc(F)c1O ZINC000083369148 631423682 /nfs/dbraw/zinc/42/36/82/631423682.db2.gz HVJBXAABKVMHIO-MRVPVSSYSA-N 0 0 241.262 1.573 20 10 BDCDRN C[C@@H]1C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000158898379 632582044 /nfs/dbraw/zinc/58/20/44/632582044.db2.gz FRQQLKZUSDGAPU-VXNVDRBHSA-N 0 0 221.256 1.370 20 10 BDCDRN C[C@@H]1C[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000052295227 632824088 /nfs/dbraw/zinc/82/40/88/632824088.db2.gz PQYYKUAAVABDME-GMSGAONNSA-N 0 0 205.261 1.799 20 10 BDCDRN Cc1ccc(C=C2SC(=S)NC2=O)cn1 ZINC000154231250 632829746 /nfs/dbraw/zinc/82/97/46/632829746.db2.gz JPQOYGLWSQJLSK-XBXARRHUSA-N 0 0 236.321 1.879 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)c1cn(C)cn1 ZINC000178207954 633004271 /nfs/dbraw/zinc/00/42/71/633004271.db2.gz DIEXMCUGSTYYST-UHFFFAOYSA-N 0 0 245.282 1.398 20 10 BDCDRN CN1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000162861509 633039918 /nfs/dbraw/zinc/03/99/18/633039918.db2.gz KQUSQGYUGUCHFX-SNVBAGLBSA-N 0 0 240.734 1.839 20 10 BDCDRN C[C@@H]1CN(C)C(=O)CN1Cc1ccccc1O ZINC000783733205 633161612 /nfs/dbraw/zinc/16/16/12/633161612.db2.gz KVNGLAXAURUBQU-SNVBAGLBSA-N 0 0 234.299 1.055 20 10 BDCDRN C[C@H]1[C@@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000928435701 635929151 /nfs/dbraw/zinc/92/91/51/635929151.db2.gz MXSBQHCXUCPTDV-CBAPKCEASA-N 0 0 240.328 1.276 20 10 BDCDRN C[C@H]1[C@H](NC(=O)C2=CC(=O)CS2)CCN1C ZINC000928435702 635929655 /nfs/dbraw/zinc/92/96/55/635929655.db2.gz MXSBQHCXUCPTDV-IONNQARKSA-N 0 0 240.328 1.276 20 10 BDCDRN C[C@@H](O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162865152 635143238 /nfs/dbraw/zinc/14/32/38/635143238.db2.gz QSWCCWFAYVVAJC-MRVPVSSYSA-N 0 0 229.707 1.906 20 10 BDCDRN COc1ccc(C[NH2+]CC2(C(=O)[O-])CC2)cc1C ZINC000258938455 635227972 /nfs/dbraw/zinc/22/79/72/635227972.db2.gz PLJSKYNLZURXIV-UHFFFAOYSA-N 0 0 249.310 1.958 20 10 BDCDRN O=C(NCC(F)(F)F)c1cccc(O)c1O ZINC000163268699 636346307 /nfs/dbraw/zinc/34/63/07/636346307.db2.gz NVRMJNLEUQXZNV-UHFFFAOYSA-N 0 0 235.161 1.390 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)c1cnccn1 ZINC000042116500 637067690 /nfs/dbraw/zinc/06/76/90/637067690.db2.gz XRMAAERQZYWIOW-UHFFFAOYSA-N 0 0 243.266 1.454 20 10 BDCDRN CC(C)NC(=O)NCc1c(O)cccc1F ZINC000905147433 637656690 /nfs/dbraw/zinc/65/66/90/637656690.db2.gz HKSAYEDSZWTWHO-UHFFFAOYSA-N 0 0 226.251 1.739 20 10 BDCDRN O=C(CCC1CC1)NCc1ccc(O)cc1O ZINC000910951270 639541517 /nfs/dbraw/zinc/54/15/17/639541517.db2.gz QNPPVOQCPPUKAW-UHFFFAOYSA-N 0 0 235.283 1.904 20 10 BDCDRN CC(C)=CC(=O)NCc1ccc(O)cc1O ZINC000910956893 639542608 /nfs/dbraw/zinc/54/26/08/639542608.db2.gz IKSKVKKDSRQNJH-UHFFFAOYSA-N 0 0 221.256 1.680 20 10 BDCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCOC1 ZINC000165164587 640543250 /nfs/dbraw/zinc/54/32/50/640543250.db2.gz KTHLLUWUYHWQRQ-JTQLQIEISA-N 0 0 225.263 1.800 20 10 BDCDRN CC1(CNC(=O)c2cccc(O)c2O)CC1 ZINC000229413091 640953890 /nfs/dbraw/zinc/95/38/90/640953890.db2.gz NZWLIBNBBKJGPA-UHFFFAOYSA-N 0 0 221.256 1.628 20 10 BDCDRN CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000171730851 641006663 /nfs/dbraw/zinc/00/66/63/641006663.db2.gz PWYLEJUGYLKTTO-QMMMGPOBSA-N 0 0 238.287 1.781 20 10 BDCDRN CN(C(=O)[C@@H]1CCCOC1)c1ccc(N)cc1 ZINC000062192641 641025699 /nfs/dbraw/zinc/02/56/99/641025699.db2.gz LJAQDGIEMFZSQM-SNVBAGLBSA-N 0 0 234.299 1.658 20 10 BDCDRN Cn1cnc(C(=O)NCc2ccccc2O)c1 ZINC000230185003 641035481 /nfs/dbraw/zinc/03/54/81/641035481.db2.gz TYKHGGMWIARKTE-UHFFFAOYSA-N 0 0 231.255 1.056 20 10 BDCDRN CC[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000158929903 641657979 /nfs/dbraw/zinc/65/79/79/641657979.db2.gz ZRQNYMYHLHMDJR-QMMMGPOBSA-N 0 0 223.272 1.760 20 10 BDCDRN CN(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000031726414 641670481 /nfs/dbraw/zinc/67/04/81/641670481.db2.gz ROTSCNGOIDDAMM-UHFFFAOYSA-N 0 0 221.304 1.524 20 10 BDCDRN Cc1ccc(C(=O)N2CCCCO2)c(O)c1O ZINC000189644428 641816226 /nfs/dbraw/zinc/81/62/26/641816226.db2.gz LPNVOOVBXGVWTE-UHFFFAOYSA-N 0 0 237.255 1.574 20 10 BDCDRN CN(C)c1noc(CNCc2ccccc2O)n1 ZINC000190009735 641829890 /nfs/dbraw/zinc/82/98/90/641829890.db2.gz NGFIXJVTKSWFPK-UHFFFAOYSA-N 0 0 248.286 1.131 20 10 BDCDRN CC(=O)C(=O)CSc1cc(C)ccn1 ZINC000918815755 642272283 /nfs/dbraw/zinc/27/22/83/642272283.db2.gz OGYGQJSBJLYDPP-UHFFFAOYSA-N 0 0 209.270 1.640 20 10 BDCDRN O=C(NCCc1ccc(O)c(O)c1)C1CCC1 ZINC000098074480 642668864 /nfs/dbraw/zinc/66/88/64/642668864.db2.gz SEGAPICIXKWDRP-UHFFFAOYSA-N 0 0 235.283 1.557 20 10 BDCDRN COc1ccc(O)c([C@H](C)NC(C)=O)c1 ZINC000238379648 642804915 /nfs/dbraw/zinc/80/49/15/642804915.db2.gz CXNPCTWLWKKCHA-ZETCQYMHSA-N 0 0 209.245 1.598 20 10 BDCDRN CC(C)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180911373 642821286 /nfs/dbraw/zinc/82/12/86/642821286.db2.gz MZFMZIDCNJROLO-FNORWQNLSA-N 0 0 235.283 1.978 20 10 BDCDRN Cc1cc(O)ccc1NS(=O)(=O)C1CC1 ZINC000070909263 643466400 /nfs/dbraw/zinc/46/64/00/643466400.db2.gz VATQPVHTKSBQIU-UHFFFAOYSA-N 0 0 227.285 1.605 20 10 BDCDRN Cc1cc(CC(=O)NCc2ccccc2O)no1 ZINC000735858368 643567544 /nfs/dbraw/zinc/56/75/44/643567544.db2.gz ZUZLMTVWTBXODI-UHFFFAOYSA-N 0 0 246.266 1.548 20 10 BDCDRN C[C@]1(CNC(=O)Cc2ccc(N)cc2)CCCO1 ZINC000083946110 643633326 /nfs/dbraw/zinc/63/33/26/643633326.db2.gz VJXFLRQGSUKOAG-CQSZACIVSA-N 0 0 248.326 1.497 20 10 BDCDRN CSC[C@@H](O)CN(C)c1ccc(N)cc1 ZINC000923401861 644407498 /nfs/dbraw/zinc/40/74/98/644407498.db2.gz YLSMUGCXJHBFNF-NSHDSACASA-N 0 0 226.345 1.429 20 10 BDCDRN CC1(C)[C@H](NC(=O)C2=CC(=O)CS2)C[C@@H]1O ZINC000779454370 644712321 /nfs/dbraw/zinc/71/23/21/644712321.db2.gz OFXYHRFAMFZCKW-BDAKNGLRSA-N 0 0 241.312 1.343 20 10 BDCDRN C[C@H](NC(=O)[C@@H]1CCO[C@H]1C)c1ccccc1O ZINC000827968853 645089808 /nfs/dbraw/zinc/08/98/08/645089808.db2.gz AWBVTEWEMKHXSR-JBLDHEPKSA-N 0 0 249.310 1.994 20 10 BDCDRN CC(C)(CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703286343 712069471 /nfs/dbraw/zinc/06/94/71/712069471.db2.gz OSAMRPRZZBKNEQ-UHFFFAOYSA-N 0 0 231.242 1.531 20 10 BDCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@H](C)O ZINC000703339198 712072778 /nfs/dbraw/zinc/07/27/78/712072778.db2.gz BPNFIJINDKGKAZ-GMSGAONNSA-N 0 0 245.269 1.919 20 10 BDCDRN C[C@@H](F)CCNC(=O)c1cccc(O)c1O ZINC000705221712 712124703 /nfs/dbraw/zinc/12/47/03/712124703.db2.gz HSRJUMAZXZZNGF-SSDOTTSWSA-N 0 0 227.235 1.576 20 10 BDCDRN CN(C(=O)COC1CC1)c1ccc(N)cc1 ZINC000713282911 712458161 /nfs/dbraw/zinc/45/81/61/712458161.db2.gz HHEZIPMTWIQCOE-UHFFFAOYSA-N 0 0 220.272 1.411 20 10 BDCDRN COc1ccccc1NC[C@@H](O)COC(C)C ZINC000037874565 712778638 /nfs/dbraw/zinc/77/86/38/712778638.db2.gz HZBARCGTTCKATO-LLVKDONJSA-N 0 0 239.315 1.893 20 10 BDCDRN CCOC(C)(C)C(=O)NCc1ccccc1O ZINC000384161526 710672776 /nfs/dbraw/zinc/67/27/76/710672776.db2.gz VZWOQPXHFGKIQZ-UHFFFAOYSA-N 0 0 237.299 1.824 20 10 BDCDRN COc1cccc(CNCc2cocn2)c1O ZINC000397988476 711400144 /nfs/dbraw/zinc/40/01/44/711400144.db2.gz VUNVIYNDRVBGHN-UHFFFAOYSA-N 0 0 234.255 1.679 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)Cn1ccnc1 ZINC000383631343 710984539 /nfs/dbraw/zinc/98/45/39/710984539.db2.gz KKJRRNARCLHKJM-UHFFFAOYSA-N 0 0 245.282 1.247 20 10 BDCDRN C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCOC1 ZINC000397178043 711377655 /nfs/dbraw/zinc/37/76/55/711377655.db2.gz HLYLKCQDMRQSLG-AWEZNQCLSA-N 0 0 248.326 1.354 20 10 BDCDRN O=C(O[C@H]1CCOC1)N1Cc2cccc(O)c2C1 ZINC000918881105 711877589 /nfs/dbraw/zinc/87/75/89/711877589.db2.gz HHRVZICWRDQTDM-JTQLQIEISA-N 0 0 249.266 1.633 20 10 BDCDRN CO[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703329501 712070434 /nfs/dbraw/zinc/07/04/34/712070434.db2.gz QCUQWKLWLBBOHJ-ZETCQYMHSA-N 0 0 231.242 1.795 20 10 BDCDRN [O-]c1c(C[NH2+]C[C@H](O)C2CC2)ccc(F)c1F ZINC000703380919 712074630 /nfs/dbraw/zinc/07/46/30/712074630.db2.gz RGWKYSBGQNSMFA-JTQLQIEISA-N 0 0 243.253 1.531 20 10 BDCDRN [O-]c1c(C[N@@H+]2CCCOCC2)ccc(F)c1F ZINC000703489605 712077530 /nfs/dbraw/zinc/07/75/30/712077530.db2.gz GPNGJPKMGIXZOM-UHFFFAOYSA-N 0 0 243.253 1.893 20 10 BDCDRN C[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708387213 712191665 /nfs/dbraw/zinc/19/16/65/712191665.db2.gz ARWUQNTXKHTQHA-ZCFIWIBFSA-N 0 0 217.215 1.141 20 10 BDCDRN COC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708435955 712195263 /nfs/dbraw/zinc/19/52/63/712195263.db2.gz HCLKVYQSAYWRNR-ZETCQYMHSA-N 0 0 231.242 1.795 20 10 BDCDRN CO[C@@H](CNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000378715196 712359049 /nfs/dbraw/zinc/35/90/49/712359049.db2.gz YFAGLKOKOQYSNH-LBPRGKRZSA-N 0 0 249.314 1.815 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)CCOC2)c1 ZINC000862757616 712619062 /nfs/dbraw/zinc/61/90/62/712619062.db2.gz ZYQYUYHNUWLBHA-AWEZNQCLSA-N 0 0 249.310 1.743 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)CO)c1 ZINC000862756996 712619070 /nfs/dbraw/zinc/61/90/70/712619070.db2.gz CPBHZMWLMHWJDD-UHFFFAOYSA-N 0 0 237.299 1.335 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C)c1 ZINC000862757344 712619076 /nfs/dbraw/zinc/61/90/76/712619076.db2.gz PXVHBTIXFMGEFZ-MWLCHTKSSA-N 0 0 219.284 1.973 20 10 BDCDRN [O-]c1c(Cl)cccc1C[NH2+]C/C=C\CO ZINC000717534704 712660720 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[O-]c1c(F)cccc1C[NH2+]CCCOCCO ZINC000227521915 183082927 /nfs/dbraw/zinc/08/29/27/183082927.db2.gz QREXDNARTSIPCP-UHFFFAOYSA-N 0 0 243.278 1.020 20 10 BDCDRN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1CO ZINC000272347382 183151048 /nfs/dbraw/zinc/15/10/48/183151048.db2.gz ZYEIYRRSWBLSON-SNVBAGLBSA-N 0 0 225.263 1.488 20 10 BDCDRN CCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000037097699 169052375 /nfs/dbraw/zinc/05/23/75/169052375.db2.gz ZOIOAAMPJXSGKO-UHFFFAOYSA-N 0 0 206.289 1.680 20 10 BDCDRN Oc1ccccc1CN1CCO[C@H]2C[C@H]21 ZINC000366559592 183301814 /nfs/dbraw/zinc/30/18/14/183301814.db2.gz NUPSZDVLXJSIMU-PWSUYJOCSA-N 0 0 205.257 1.365 20 10 BDCDRN Cc1ccc(O)c(CN[C@H](C)c2ncn(C)n2)c1 ZINC000275772815 384414126 /nfs/dbraw/zinc/41/41/26/384414126.db2.gz HELOPBFLSSXAQD-SNVBAGLBSA-N 0 0 246.314 1.680 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCOC1 ZINC000171295320 384566934 /nfs/dbraw/zinc/56/69/34/384566934.db2.gz XMODJRCTVJBZII-GFCCVEGCSA-N 0 0 249.310 1.777 20 10 BDCDRN C[C@H](NCC(F)(F)CO)c1cc(F)ccc1O 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385621643 /nfs/dbraw/zinc/62/16/43/385621643.db2.gz ISVRMRVCRVVYRI-MRVPVSSYSA-N 0 0 241.262 1.799 20 10 BDCDRN CSCCC(=O)NCc1ccc(O)c(O)c1 ZINC000182528049 385679244 /nfs/dbraw/zinc/67/92/44/385679244.db2.gz BOAUNSVBWGAVAB-UHFFFAOYSA-N 0 0 241.312 1.467 20 10 BDCDRN CN(C)c1ccc(C[NH2+]C2(C(=O)[O-])CCC2)cc1 ZINC000283769027 385832654 /nfs/dbraw/zinc/83/26/54/385832654.db2.gz BRJXAGFQDDZBCX-UHFFFAOYSA-N 0 0 248.326 1.850 20 10 BDCDRN O=C([O-])C1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000284270497 385860355 /nfs/dbraw/zinc/86/03/55/385860355.db2.gz PQQARTYEQQTDOD-UHFFFAOYSA-N 0 0 247.294 1.718 20 10 BDCDRN C[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273427512 385999178 /nfs/dbraw/zinc/99/91/78/385999178.db2.gz UPVQRPWTOYJBDI-YUMQZZPRSA-N 0 0 240.259 1.332 20 10 BDCDRN C[C@@H]([NH2+]CCCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273441743 386001641 /nfs/dbraw/zinc/00/16/41/386001641.db2.gz YSAMYZGQCMVLFH-MRVPVSSYSA-N 0 0 240.259 1.333 20 10 BDCDRN C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273435647 386001884 /nfs/dbraw/zinc/00/18/84/386001884.db2.gz WWHNQNDCKOLWAB-SFYZADRCSA-N 0 0 240.259 1.332 20 10 BDCDRN C[C@H](CO)Sc1ncc([N+](=O)[O-])s1 ZINC000189691178 386069723 /nfs/dbraw/zinc/06/97/23/386069723.db2.gz PAKVADWNLZQGMF-SCSAIBSYSA-N 0 0 220.275 1.524 20 10 BDCDRN COC1(CC(=O)NCc2ccccc2O)CCC1 ZINC000234605433 386083895 /nfs/dbraw/zinc/08/38/95/386083895.db2.gz LPUBHRLPQSULKV-UHFFFAOYSA-N 0 0 249.310 1.968 20 10 BDCDRN Cc1nonc1C(=O)N(C)Cc1ccccc1O ZINC000265412182 386337089 /nfs/dbraw/zinc/33/70/89/386337089.db2.gz NBMMTUYBNHKDEK-UHFFFAOYSA-N 0 0 247.254 1.356 20 10 BDCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C ZINC000290417072 386433129 /nfs/dbraw/zinc/43/31/29/386433129.db2.gz NFSSQWRGOTUGJC-UHFFFAOYSA-N 0 0 232.287 1.466 20 10 BDCDRN CN(C)c1ccc(OCC(=O)N(C)C2CC2)cc1 ZINC000277697539 386461879 /nfs/dbraw/zinc/46/18/79/386461879.db2.gz DUZFIIXLAIJEBM-UHFFFAOYSA-N 0 0 248.326 1.752 20 10 BDCDRN O=C1CN(Cc2ccccc2O)CN1C1CC1 ZINC000280353186 386807456 /nfs/dbraw/zinc/80/74/56/386807456.db2.gz BZRROWJLWYNSOY-UHFFFAOYSA-N 0 0 232.283 1.156 20 10 BDCDRN COC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1O ZINC000293535664 386832828 /nfs/dbraw/zinc/83/28/28/386832828.db2.gz CGONFASYGWKUNL-LBPRGKRZSA-N 0 0 221.300 1.921 20 10 BDCDRN CN(CCF)C(=O)c1cccc(O)c1O ZINC000293796891 386881480 /nfs/dbraw/zinc/88/14/80/386881480.db2.gz DARMEPUAWWNNJF-UHFFFAOYSA-N 0 0 213.208 1.139 20 10 BDCDRN C[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]1C ZINC000193127124 387156423 /nfs/dbraw/zinc/15/64/23/387156423.db2.gz XUBKEMNLZXOFHM-BDAKNGLRSA-N 0 0 235.283 1.968 20 10 BDCDRN C[C@H](O)[C@H](C)Sc1ncc([N+](=O)[O-])s1 ZINC000194946399 135653032 /nfs/dbraw/zinc/65/30/32/135653032.db2.gz JCKJOVBYYNPLFS-WHFBIAKZSA-N 0 0 234.302 1.913 20 10 BDCDRN C[C@@H](O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000270807564 132197461 /nfs/dbraw/zinc/19/74/61/132197461.db2.gz OTSJVMHJYVYYDO-SNVBAGLBSA-N 0 0 248.326 1.066 20 10 BDCDRN CC(C)OCC(=O)NCCc1ccc(N)cc1 ZINC000123216812 167187521 /nfs/dbraw/zinc/18/75/21/167187521.db2.gz NEDAGAGENYDVKS-UHFFFAOYSA-N 0 0 236.315 1.353 20 10 BDCDRN CC(F)(F)C(=O)NCCc1ccc(O)c(O)c1 ZINC000289135418 167809472 /nfs/dbraw/zinc/80/94/72/167809472.db2.gz GPAUJWVLQLUBES-UHFFFAOYSA-N 0 0 245.225 1.412 20 10 BDCDRN CCOC1CN(Cc2ccccc2O)C1 ZINC000297492942 170336510 /nfs/dbraw/zinc/33/65/10/170336510.db2.gz UEXXUYMYCZVBED-UHFFFAOYSA-N 0 0 207.273 1.613 20 10 BDCDRN CCOC1CN(Cc2cccc(C)c2O)C1 ZINC000297382500 170336790 /nfs/dbraw/zinc/33/67/90/170336790.db2.gz IRADMJYQVNVGEC-UHFFFAOYSA-N 0 0 221.300 1.921 20 10 BDCDRN CCOC1CN(Cc2cc(C)ccc2O)C1 ZINC000297497635 170336813 /nfs/dbraw/zinc/33/68/13/170336813.db2.gz URASAJIILLIMTH-UHFFFAOYSA-N 0 0 221.300 1.921 20 10 BDCDRN CCOCC(=O)N(C)c1ccc(N)cc1 ZINC000020373744 170339031 /nfs/dbraw/zinc/33/90/31/170339031.db2.gz XFCZCIMGBKXODO-UHFFFAOYSA-N 0 0 208.261 1.268 20 10 BDCDRN CCOCC(=O)NCc1cccc(OC)c1O ZINC000155623815 170345592 /nfs/dbraw/zinc/34/55/92/170345592.db2.gz UPILFUMKYYSTKU-UHFFFAOYSA-N 0 0 239.271 1.054 20 10 BDCDRN CC[C@@H](OC)C(=O)NCCc1ccc(N)cc1 ZINC000269150002 170941883 /nfs/dbraw/zinc/94/18/83/170941883.db2.gz NUYBTKQNQVFTCT-GFCCVEGCSA-N 0 0 236.315 1.353 20 10 BDCDRN CC[C@@H](Sc1nccs1)C(N)=O ZINC000061680124 170951470 /nfs/dbraw/zinc/95/14/70/170951470.db2.gz RICVZKVBGVEZAS-RXMQYKEDSA-N 0 0 202.304 1.499 20 10 BDCDRN CC[C@H](C)CONC(=O)c1cccc(O)c1O ZINC000293675720 171290475 /nfs/dbraw/zinc/29/04/75/171290475.db2.gz IYLYAOBSFZHROZ-QMMMGPOBSA-N 0 0 239.271 1.805 20 10 BDCDRN CN(CCn1cccn1)c1ccc2c(c1)OCO2 ZINC000178878305 172798328 /nfs/dbraw/zinc/79/83/28/172798328.db2.gz RWIYTYABTXGEQV-UHFFFAOYSA-N 0 0 245.282 1.748 20 10 BDCDRN CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000336453664 173291222 /nfs/dbraw/zinc/29/12/22/173291222.db2.gz UJXGBTGZIHYVSL-UHFFFAOYSA-N 0 0 231.299 1.916 20 10 BDCDRN COCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000052843758 174038848 /nfs/dbraw/zinc/03/88/48/174038848.db2.gz DZYMTEBGMHFYBW-UHFFFAOYSA-N 0 0 236.315 1.357 20 10 BDCDRN COCCCC(=O)NCc1ccccc1O ZINC000136334151 174165965 /nfs/dbraw/zinc/16/59/65/174165965.db2.gz JUCSKOCWJPEYAU-UHFFFAOYSA-N 0 0 223.272 1.435 20 10 BDCDRN COc1ccc(O)c(CN(C2CC2)C2COC2)c1 ZINC000295962861 175158099 /nfs/dbraw/zinc/15/80/99/175158099.db2.gz HYRYGFCYRGWLAM-UHFFFAOYSA-N 0 0 249.310 1.764 20 10 BDCDRN COc1cccc(CNC(=O)CSC)c1O ZINC000171487400 175262604 /nfs/dbraw/zinc/26/26/04/175262604.db2.gz LSELTHVJYVZZAM-UHFFFAOYSA-N 0 0 241.312 1.380 20 10 BDCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000182526777 175616572 /nfs/dbraw/zinc/61/65/72/175616572.db2.gz ONUDVEIMGXUKFY-MRVPVSSYSA-N 0 0 235.283 1.760 20 10 BDCDRN C[C@@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000163277009 176395911 /nfs/dbraw/zinc/39/59/11/176395911.db2.gz JMIGHOVMOIZQLV-HTQZYQBOSA-N 0 0 221.256 1.484 20 10 BDCDRN C[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC000294185214 177211163 /nfs/dbraw/zinc/21/11/63/177211163.db2.gz QBSPHASFAAINSE-ROSDIQCESA-N 0 0 247.294 1.978 20 10 BDCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000035407533 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COC/C=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573081 589379415 /nfs/dbraw/zinc/37/94/15/589379415.db2.gz FMKKEDGUKIGRHR-PLNGDYQASA-N 0 0 248.326 1.571 20 10 BDCDRN C[C@@H]1C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871198475 589743522 /nfs/dbraw/zinc/74/35/22/589743522.db2.gz JVDZYCYRDCVMDD-SCZZXKLOSA-N 0 0 217.268 1.890 20 10 BDCDRN CC(=O)CCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871199114 589743629 /nfs/dbraw/zinc/74/36/29/589743629.db2.gz SPHLBKPCRPBRIF-UHFFFAOYSA-N 0 0 247.294 1.994 20 10 BDCDRN CO[C@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200851 589744658 /nfs/dbraw/zinc/74/46/58/589744658.db2.gz KMLRQLORPPBMTJ-SECBINFHSA-N 0 0 235.283 1.659 20 10 BDCDRN Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)cc1C ZINC000873177417 589990049 /nfs/dbraw/zinc/99/00/49/589990049.db2.gz KPLVYKLXKXOROV-AULYBMBSSA-N 0 0 235.327 1.870 20 10 BDCDRN CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000874047280 590087081 /nfs/dbraw/zinc/08/70/81/590087081.db2.gz NRKRWDHOQKLCFP-TXEJJXNPSA-N 0 0 248.326 1.705 20 10 BDCDRN O=C([O-])C1CC([NH2+]Cc2ccccc2O)C1 ZINC000874056558 590088825 /nfs/dbraw/zinc/08/88/25/590088825.db2.gz WUDIGSNZALAUKE-UHFFFAOYSA-N 0 0 221.256 1.345 20 10 BDCDRN COC(=O)CN(C)Cc1c(C)cccc1O ZINC000876586135 590218603 /nfs/dbraw/zinc/21/86/03/590218603.db2.gz AEQKGGGVTKAAHA-UHFFFAOYSA-N 0 0 223.272 1.305 20 10 BDCDRN CC[N@H+](CCCO)Cc1ccc(F)c(F)c1[O-] ZINC000876766883 590239845 /nfs/dbraw/zinc/23/98/45/590239845.db2.gz VLLPWQIDJWWMKU-UHFFFAOYSA-N 0 0 245.269 1.875 20 10 BDCDRN O=C(Nc1ccncc1)c1cccc(O)c1O ZINC000126195099 590247127 /nfs/dbraw/zinc/24/71/27/590247127.db2.gz JBSRFTDVGXSCPP-UHFFFAOYSA-N 0 0 230.223 1.745 20 10 BDCDRN CNC(=O)CCCC(=O)N(C)c1ccc(N)cc1 ZINC000877075520 590279005 /nfs/dbraw/zinc/27/90/05/590279005.db2.gz FCCSVAQWCZEETC-UHFFFAOYSA-N 0 0 249.314 1.148 20 10 BDCDRN CC[C@@H](OC)C(=O)N(C)c1ccc(N)cc1 ZINC000877078030 590279156 /nfs/dbraw/zinc/27/91/56/590279156.db2.gz ABZJFVPGCVTIGU-LLVKDONJSA-N 0 0 222.288 1.657 20 10 BDCDRN CS[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877079887 590279889 /nfs/dbraw/zinc/27/98/89/590279889.db2.gz AKBACCRHNUQCHP-QMMMGPOBSA-N 0 0 224.329 1.983 20 10 BDCDRN CCO[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877080480 590280042 /nfs/dbraw/zinc/28/00/42/590280042.db2.gz JMIKUJHRKSLELF-VIFPVBQESA-N 0 0 222.288 1.657 20 10 BDCDRN O=C(NCCC(F)(F)F)c1cccc(O)c1O ZINC000126405317 590301538 /nfs/dbraw/zinc/30/15/38/590301538.db2.gz NLQXWOCFYZHCSS-UHFFFAOYSA-N 0 0 249.188 1.780 20 10 BDCDRN COC(=O)[C@@H](C)N(C)Cc1c(C)cccc1O ZINC000877490820 590340452 /nfs/dbraw/zinc/34/04/52/590340452.db2.gz JEEOZVBWLSUJFG-SNVBAGLBSA-N 0 0 237.299 1.694 20 10 BDCDRN CN(C)c1ccc(/C=C\CN2CC(C)(O)C2)cc1 ZINC000877581310 590365385 /nfs/dbraw/zinc/36/53/85/590365385.db2.gz WFYFEYVLZZCCMX-PLNGDYQASA-N 0 0 246.354 1.832 20 10 BDCDRN Cn1ccc(CN2Cc3cccc(O)c3C2)n1 ZINC000877703431 590396420 /nfs/dbraw/zinc/39/64/20/590396420.db2.gz IZNASXNZVWQEJC-UHFFFAOYSA-N 0 0 229.283 1.642 20 10 BDCDRN Cc1nn(CCSc2nccs2)c(=O)o1 ZINC000882108653 591299247 /nfs/dbraw/zinc/29/92/47/591299247.db2.gz BOVYGNTYNNKBTP-UHFFFAOYSA-N 0 0 243.313 1.394 20 10 BDCDRN CON(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883171064 591560490 /nfs/dbraw/zinc/56/04/90/591560490.db2.gz NCBSBNTUIVYZKH-UHFFFAOYSA-N 0 0 246.257 1.253 20 10 BDCDRN O=C(NCc1ccccc1O)[C@@H]1CCSC1 ZINC000131513564 591616640 /nfs/dbraw/zinc/61/66/40/591616640.db2.gz DRTFJPIYLUNUPU-SNVBAGLBSA-N 0 0 237.324 1.762 20 10 BDCDRN Cc1ccc(O)c(CN2CCS(=O)CC2)c1 ZINC000132682866 591730858 /nfs/dbraw/zinc/73/08/58/591730858.db2.gz RMDGMBQOBSJRQZ-UHFFFAOYSA-N 0 0 239.340 1.265 20 10 BDCDRN C[C@@H]([NH2+]CC1(CO)CC1)c1c([O-])cccc1F ZINC000886534230 592249262 /nfs/dbraw/zinc/24/92/62/592249262.db2.gz DKNGXRAOYWRCJF-SECBINFHSA-N 0 0 239.290 1.954 20 10 BDCDRN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1c([O-])cccc1F ZINC000886639537 592286300 /nfs/dbraw/zinc/28/63/00/592286300.db2.gz FVEWUDVJLUXPCT-CIUDSAMLSA-N 0 0 225.263 1.705 20 10 BDCDRN Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)[O-])c1 ZINC000070955408 597152612 /nfs/dbraw/zinc/15/26/12/597152612.db2.gz LJWTYFYDXODITE-MRVPVSSYSA-N 0 0 209.245 1.263 20 10 BDCDRN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000041689453 597152767 /nfs/dbraw/zinc/15/27/67/597152767.db2.gz NSBREJIHQQMHMK-SECBINFHSA-N 0 0 222.288 1.315 20 10 BDCDRN CN(C)c1ccc(C[NH2+]CCCC(=O)[O-])cc1 ZINC000037417466 597264796 /nfs/dbraw/zinc/26/47/96/597264796.db2.gz BAXIURWMDQSEKI-UHFFFAOYSA-N 0 0 236.315 1.707 20 10 BDCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000086789460 598127760 /nfs/dbraw/zinc/12/77/60/598127760.db2.gz CBIQDJPATCDLRM-LBPRGKRZSA-N 0 0 248.326 1.659 20 10 BDCDRN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000086790163 598130108 /nfs/dbraw/zinc/13/01/08/598130108.db2.gz ICSHEPYACGRASV-SNVBAGLBSA-N 0 0 235.283 1.607 20 10 BDCDRN COc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000086756622 598182288 /nfs/dbraw/zinc/18/22/88/598182288.db2.gz LVJQJTGWTGVNPE-MRVPVSSYSA-N 0 0 239.271 1.306 20 10 BDCDRN Cc1cccc(C[NH2+][C@H](C(=O)[O-])C(C)C)c1O ZINC000158741769 598193098 /nfs/dbraw/zinc/19/30/98/598193098.db2.gz HSOOKTOJOUGTEE-NSHDSACASA-N 0 0 237.299 1.899 20 10 BDCDRN C[N@H+](CCCC(=O)[O-])Cc1ccccc1O ZINC000083414387 600317902 /nfs/dbraw/zinc/31/79/02/600317902.db2.gz XANPQNYCVFJNOJ-UHFFFAOYSA-N 0 0 223.272 1.689 20 10 BDCDRN O=C([O-])N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000740505201 602879986 /nfs/dbraw/zinc/87/99/86/602879986.db2.gz KNWBRMDFMYSUSC-JTQLQIEISA-N 0 0 236.271 1.234 20 10 BDCDRN CN(C)c1ccc(C[N@H+](C)CC(=O)[O-])cc1 ZINC000032014227 605751524 /nfs/dbraw/zinc/75/15/24/605751524.db2.gz IHTFYYXGHNXYOA-UHFFFAOYSA-N 0 0 222.288 1.269 20 10 BDCDRN C[C@@H]([NH2+][C@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925870106 635578463 /nfs/dbraw/zinc/57/84/63/635578463.db2.gz UIEFDZKARCWWOC-SVRRBLITSA-N 0 0 244.241 1.224 20 10 BDCDRN CCOC(=O)CN(C)c1ccc(OC)cc1 ZINC000049970437 631924259 /nfs/dbraw/zinc/92/42/59/631924259.db2.gz FJBDBZLMZGUGNV-UHFFFAOYSA-N 0 0 223.272 1.695 20 10 BDCDRN COC(=O)[C@H](C1CC1)N(C)Cc1ccccc1O ZINC000782047304 632470080 /nfs/dbraw/zinc/47/00/80/632470080.db2.gz AALLBSBGAWJOHO-ZDUSSCGKSA-N 0 0 249.310 1.776 20 10 BDCDRN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000235429821 632732097 /nfs/dbraw/zinc/73/20/97/632732097.db2.gz WPUYCNRRKVZPHP-ZWNOBZJWSA-N 0 0 248.326 1.495 20 10 BDCDRN Nc1ccc(NC(=O)NCCOCC2CC2)cc1 ZINC000236355112 632925160 /nfs/dbraw/zinc/92/51/60/632925160.db2.gz GNCNRXQUGMNEBA-UHFFFAOYSA-N 0 0 249.314 1.817 20 10 BDCDRN C[C@H](NC(=O)c1cccc(O)c1O)C1CC1 ZINC000163270851 633052304 /nfs/dbraw/zinc/05/23/04/633052304.db2.gz YDKXEJDMNNVYFM-ZETCQYMHSA-N 0 0 221.256 1.626 20 10 BDCDRN C[C@H]1C[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928707723 636341123 /nfs/dbraw/zinc/34/11/23/636341123.db2.gz HAHKUFICKCUDBY-YUMQZZPRSA-N 0 0 223.247 1.804 20 10 BDCDRN O=C(Nc1cn[nH]c1)c1cccc(O)c1O ZINC000163271097 636345760 /nfs/dbraw/zinc/34/57/60/636345760.db2.gz UJLJHSWWCAMNQQ-UHFFFAOYSA-N 0 0 219.200 1.073 20 10 BDCDRN CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000322803382 636881305 /nfs/dbraw/zinc/88/13/05/636881305.db2.gz RBGVDAMXOJVPJO-KOLCDFICSA-N 0 0 248.326 1.494 20 10 BDCDRN CCc1noc(C(=O)NCc2ccccc2O)n1 ZINC000904436056 637402510 /nfs/dbraw/zinc/40/25/10/637402510.db2.gz GMEWIFCWSIRVRU-UHFFFAOYSA-N 0 0 247.254 1.268 20 10 BDCDRN C[C@@H]1CCOCCN1C(=O)Nc1ccc(N)cc1 ZINC000904500625 637428267 /nfs/dbraw/zinc/42/82/67/637428267.db2.gz NEJHACAZYRIVLP-SNVBAGLBSA-N 0 0 249.314 1.912 20 10 BDCDRN Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2O)cc1 ZINC000904925752 637528210 /nfs/dbraw/zinc/52/82/10/637528210.db2.gz KZTXKWNXSPLNHK-GHMZBOCLSA-N 0 0 220.272 1.368 20 10 BDCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCOC1 ZINC000165173198 638590576 /nfs/dbraw/zinc/59/05/76/638590576.db2.gz VODIYAJSRUJQJJ-SECBINFHSA-N 0 0 211.236 1.410 20 10 BDCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)C1CC1 ZINC000910950539 639541689 /nfs/dbraw/zinc/54/16/89/639541689.db2.gz HFDBRJYGMQHIEJ-MRVPVSSYSA-N 0 0 235.283 1.760 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)[C@H]1C[C@@H]1C1CC1 ZINC000910945810 639550447 /nfs/dbraw/zinc/55/04/47/639550447.db2.gz ZGYIAGDRAVSBMB-NEPJUHHUSA-N 0 0 247.294 1.760 20 10 BDCDRN COC[C@@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000045647922 640618563 /nfs/dbraw/zinc/61/85/63/640618563.db2.gz IUMQNIMKSXNPBG-VIFPVBQESA-N 0 0 237.303 1.673 20 10 BDCDRN Cn1cc(NCc2cc(F)ccc2O)cn1 ZINC000226590887 640778651 /nfs/dbraw/zinc/77/86/51/640778651.db2.gz ZAJAMPZJYMMTRN-UHFFFAOYSA-N 0 0 221.235 1.877 20 10 BDCDRN Oc1ccc(F)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000226585515 640778832 /nfs/dbraw/zinc/77/88/32/640778832.db2.gz JUUDPLWHSZPMTR-LLVKDONJSA-N 0 0 241.262 1.036 20 10 BDCDRN C[C@H](NCc1ncn(C)n1)c1ccccc1O ZINC000228802358 640897050 /nfs/dbraw/zinc/89/70/50/640897050.db2.gz AAVDYKSVZNAFCS-VIFPVBQESA-N 0 0 232.287 1.372 20 10 BDCDRN CCC[C@H](O)C(=O)N(C)Cc1ccccc1O ZINC000934705309 641251240 /nfs/dbraw/zinc/25/12/40/641251240.db2.gz VNUAQLVUROAFSY-LBPRGKRZSA-N 0 0 237.299 1.512 20 10 BDCDRN C/C=C\[C@H](O)C(=O)N[C@@H](C)c1ccccc1O ZINC000913763896 641470015 /nfs/dbraw/zinc/47/00/15/641470015.db2.gz UXTZAZPCQFUHOA-DFIBWLHZSA-N 0 0 235.283 1.506 20 10 BDCDRN C/C=C/[C@H](O)C(=O)N[C@H](C)c1ccccc1O ZINC000913763898 641470070 /nfs/dbraw/zinc/47/00/70/641470070.db2.gz UXTZAZPCQFUHOA-JQKTTZKKSA-N 0 0 235.283 1.506 20 10 BDCDRN C[C@H]1CCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000914157155 641592100 /nfs/dbraw/zinc/59/21/00/641592100.db2.gz OEQZUFPAQMUVIJ-LVCFMKKZSA-N 0 0 233.267 1.732 20 10 BDCDRN CCC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732353126 641831294 /nfs/dbraw/zinc/83/12/94/641831294.db2.gz DNGNEMGLGQSEIS-ZCFIWIBFSA-N 0 0 228.269 1.978 20 10 BDCDRN CC(=O)C(=O)Cn1c(C)cc(C)c(Cl)c1=O ZINC000919253389 642316288 /nfs/dbraw/zinc/31/62/88/642316288.db2.gz CASZVISCIQRZIV-UHFFFAOYSA-N 0 0 241.674 1.277 20 10 BDCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cn[nH]c1 ZINC000180925602 642826782 /nfs/dbraw/zinc/82/67/82/642826782.db2.gz CMMJPTBYBGRQGU-DUXPYHPUSA-N 0 0 245.238 1.473 20 10 BDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCF ZINC000181220952 642850754 /nfs/dbraw/zinc/85/07/54/642850754.db2.gz YVQOGTGDJFYUBI-HWKANZROSA-N 0 0 239.246 1.587 20 10 BDCDRN CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000075824249 643475707 /nfs/dbraw/zinc/47/57/07/643475707.db2.gz FLNOGNVLLYIJMX-SECBINFHSA-N 0 0 206.289 1.950 20 10 BDCDRN C[C@@]1(CNC(=O)Cc2ccc(N)cc2)CCCO1 ZINC000083946112 643632156 /nfs/dbraw/zinc/63/21/56/643632156.db2.gz VJXFLRQGSUKOAG-AWEZNQCLSA-N 0 0 248.326 1.497 20 10 BDCDRN O=C(Nc1ncccc1O)c1cccc(O)c1O ZINC000186793766 644145929 /nfs/dbraw/zinc/14/59/29/644145929.db2.gz PISAOROVCJTVTP-UHFFFAOYSA-N 0 0 246.222 1.451 20 10 BDCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])C2CC2)cc1C ZINC000086758447 644176234 /nfs/dbraw/zinc/17/62/34/644176234.db2.gz YSHCRMLZSNXJLQ-CYBMUJFWSA-N 0 0 249.310 1.956 20 10 BDCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])C2CC2)cc1C ZINC000086758445 644177324 /nfs/dbraw/zinc/17/73/24/644177324.db2.gz YSHCRMLZSNXJLQ-ZDUSSCGKSA-N 0 0 249.310 1.956 20 10 BDCDRN CN(Cc1ncnn1C)c1ccc(N)cc1 ZINC000083971643 644414869 /nfs/dbraw/zinc/41/48/69/644414869.db2.gz HEXBBSAYDWMMKB-UHFFFAOYSA-N 0 0 217.276 1.034 20 10 BDCDRN Oc1ccccc1CNc1cnccn1 ZINC000084830991 644432391 /nfs/dbraw/zinc/43/23/91/644432391.db2.gz KOWMGAGAYCPASB-UHFFFAOYSA-N 0 0 201.229 1.794 20 10 BDCDRN C[C@]1(CNC(=O)Nc2ccc(N)cc2)CCCO1 ZINC000094804635 644728509 /nfs/dbraw/zinc/72/85/09/644728509.db2.gz KJLZUJJUUPRZTD-CYBMUJFWSA-N 0 0 249.314 1.959 20 10 BDCDRN CC[C@@H](COC(=O)c1cccc(O)c1O)OC ZINC000842090662 645240888 /nfs/dbraw/zinc/24/08/88/645240888.db2.gz FDHFNWQTSFGINI-QMMMGPOBSA-N 0 0 240.255 1.680 20 10 BDCDRN Cc1ccc(CN[C@H](C)c2ncn(C)n2)c(O)c1 ZINC000877459434 645797107 /nfs/dbraw/zinc/79/71/07/645797107.db2.gz JKHOOOUUYMSGSI-SNVBAGLBSA-N 0 0 246.314 1.680 20 10 BDCDRN CCCCC1(C(=O)OCC(=O)C(C)=O)CC1 ZINC000924425801 646035952 /nfs/dbraw/zinc/03/59/52/646035952.db2.gz RKGFOBKGBUTXDC-UHFFFAOYSA-N 0 0 226.272 1.658 20 10 BDCDRN CCC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708483694 712184154 /nfs/dbraw/zinc/18/41/54/712184154.db2.gz FURQSTVMRKVDTE-JTQLQIEISA-N 0 0 245.269 1.921 20 10 BDCDRN CC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708394242 712193000 /nfs/dbraw/zinc/19/30/00/712193000.db2.gz TVGRAERKFRRHSH-SECBINFHSA-N 0 0 231.242 1.531 20 10 BDCDRN C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534684 712211839 /nfs/dbraw/zinc/21/18/39/712211839.db2.gz DDCHXPKUZGARAF-RDDDGLTNSA-N 0 0 243.253 1.795 20 10 BDCDRN C[C@@H]1CO[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000718502393 712767820 /nfs/dbraw/zinc/76/78/20/712767820.db2.gz MNCSXVXEMFQSCJ-KWQFWETISA-N 0 0 220.272 1.632 20 10 BDCDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)[C@H](C)O1 ZINC000384607981 710934686 /nfs/dbraw/zinc/93/46/86/710934686.db2.gz ONSVAPHPMHGJNP-GBIKHYSHSA-N 0 0 248.326 1.493 20 10 BDCDRN CN(C(=O)c1cccc(O)c1O)C(C)(C)C ZINC000382227917 711641108 /nfs/dbraw/zinc/64/11/08/711641108.db2.gz GMJIZKZEEOVMPA-UHFFFAOYSA-N 0 0 223.272 1.968 20 10 BDCDRN CC(C)OCCNC(=O)Nc1ccc(N)cc1 ZINC000160591294 711808980 /nfs/dbraw/zinc/80/89/80/711808980.db2.gz YDTZQZVIOCBACB-UHFFFAOYSA-N 0 0 237.303 1.815 20 10 BDCDRN C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703271781 712069443 /nfs/dbraw/zinc/06/94/43/712069443.db2.gz DJXUUXPMDVLYIW-GMSGAONNSA-N 0 0 243.253 1.795 20 10 BDCDRN [O-]c1c(C[NH2+]C2CC(CO)C2)ccc(F)c1F ZINC000703295754 712071291 /nfs/dbraw/zinc/07/12/91/712071291.db2.gz MXLBFJAYSKECAP-UHFFFAOYSA-N 0 0 243.253 1.531 20 10 BDCDRN C[C@@H](CN(C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703379408 712073852 /nfs/dbraw/zinc/07/38/52/712073852.db2.gz NYPKLNJKGNYUPY-QMMMGPOBSA-N 0 0 244.285 1.710 20 10 BDCDRN C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703394852 712075105 /nfs/dbraw/zinc/07/51/05/712075105.db2.gz NJNOXOUEDPKBOM-GMSGAONNSA-N 0 0 243.253 1.937 20 10 BDCDRN Cc1cc(C(=O)NCc2ccccc2O)[nH]n1 ZINC000706283416 712143850 /nfs/dbraw/zinc/14/38/50/712143850.db2.gz NOAQMKHPPFLDOG-UHFFFAOYSA-N 0 0 231.255 1.354 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCOCCF ZINC000708394205 712192496 /nfs/dbraw/zinc/19/24/96/712192496.db2.gz SCLDXYWIPXEECL-UHFFFAOYSA-N 0 0 249.232 1.746 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(CO)CC1 ZINC000708440535 712194844 /nfs/dbraw/zinc/19/48/44/712194844.db2.gz CGOQWDMKXGXVFC-UHFFFAOYSA-N 0 0 243.253 1.533 20 10 BDCDRN COCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708436291 712194952 /nfs/dbraw/zinc/19/49/52/712194952.db2.gz KUHQQYNEERQDFX-UHFFFAOYSA-N 0 0 231.242 1.797 20 10 BDCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](C)O ZINC000708535838 712212217 /nfs/dbraw/zinc/21/22/17/712212217.db2.gz QVFBBKVLGHYADE-CPCISQLKSA-N 0 0 245.269 1.919 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCO[C@H]2C)c1 ZINC000862757865 712619219 /nfs/dbraw/zinc/61/92/19/712619219.db2.gz GXVFXQLDVFRQQG-CMPLNLGQSA-N 0 0 249.310 1.742 20 10 BDCDRN [O-]c1c(F)c(F)ccc1C[NH2+]C/C=C/CO ZINC000717531350 712660768 /nfs/dbraw/zinc/66/07/68/712660768.db2.gz GGLUVJSIUHOSCW-OWOJBTEDSA-N 0 0 229.226 1.309 20 10 BDCDRN C[C@H]1CO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000718566132 712773569 /nfs/dbraw/zinc/77/35/69/712773569.db2.gz HNDYQPSZZGFLDW-BXKDBHETSA-N 0 0 235.283 1.433 20 10 BDCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(F)cc1[O-] ZINC000720907390 712876746 /nfs/dbraw/zinc/87/67/46/712876746.db2.gz LHYPEMZTFMPBCY-KKZNHRDASA-N 0 0 239.290 1.953 20 10 BDCDRN Cc1c(O)ccc(CN2CCC(=O)C2)c1O ZINC001140745317 960548012 /nfs/dbraw/zinc/54/80/12/960548012.db2.gz FNWAQLLRFFSCCI-UHFFFAOYSA-N 0 0 221.256 1.181 20 10 BDCDRN C[C@@H]1COCCN1Cc1cc(F)c(F)cc1O ZINC001142508934 961468421 /nfs/dbraw/zinc/46/84/21/961468421.db2.gz QJIWKPHXJOQZAP-MRVPVSSYSA-N 0 0 243.253 1.891 20 10 BDCDRN COCCCC(=O)N(C)c1ccc(N)cc1 ZINC000087420392 965297980 /nfs/dbraw/zinc/29/79/80/965297980.db2.gz UIERBDGVMXHRID-UHFFFAOYSA-N 0 0 222.288 1.658 20 10 BDCDRN CCS(=O)(=O)Nc1ccc(O)c(F)c1F ZINC001253343914 969135653 /nfs/dbraw/zinc/13/56/53/969135653.db2.gz BEHVJFVEYVAMJD-UHFFFAOYSA-N 0 0 237.227 1.432 20 10 BDCDRN CC[C@@H](F)C(=O)NCCc1ccc(O)c(O)c1 ZINC001335855858 977328827 /nfs/dbraw/zinc/32/88/27/977328827.db2.gz ONMIMGWWXKLGSR-SECBINFHSA-N 0 0 241.262 1.505 20 10 BDCDRN O=C(NCc1ccccc1O)[C@H]1C[C@@]1(F)Cl 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245.278 1.581 20 10 BDCDRN CCC(=O)N1CCc2cccc(O)c2C1 ZINC001142718738 961679650 /nfs/dbraw/zinc/67/96/50/961679650.db2.gz OKZXFZLRIKEVPW-UHFFFAOYSA-N 0 0 205.257 1.687 20 10 BDCDRN CCC(=O)NCc1ccc2cccnc2c1O ZINC001142727989 961691422 /nfs/dbraw/zinc/69/14/22/961691422.db2.gz JJTQGAUVOBUPCO-UHFFFAOYSA-N 0 0 230.267 1.967 20 10 BDCDRN CCOCC(=O)NCc1c(C)cc(C)cc1O ZINC001142831800 961799391 /nfs/dbraw/zinc/79/93/91/961799391.db2.gz QBVSGEOFIOVFRU-UHFFFAOYSA-N 0 0 237.299 1.662 20 10 BDCDRN Oc1cc(O)c(CCNc2cnccn2)cc1O ZINC001157240381 963562949 /nfs/dbraw/zinc/56/29/49/963562949.db2.gz XGJLSYYUAZHUAE-UHFFFAOYSA-N 0 0 247.254 1.248 20 10 BDCDRN Nc1ccc(CC(=O)N2CCCC23COC3)cc1 ZINC001160541964 964329910 /nfs/dbraw/zinc/32/99/10/964329910.db2.gz LGIUXDFNNQQMRV-UHFFFAOYSA-N 0 0 246.310 1.203 20 10 BDCDRN COc1cccc(N)c1NC1CCOCC1 ZINC001161865100 964800134 /nfs/dbraw/zinc/80/01/34/964800134.db2.gz ITUGXJOCGQHSBD-UHFFFAOYSA-N 0 0 222.288 1.868 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)c1cnco1 ZINC001162277894 964903633 /nfs/dbraw/zinc/90/36/33/964903633.db2.gz CYISTPMNSKBACX-UHFFFAOYSA-N 0 0 234.211 1.016 20 10 BDCDRN CNc1ccccc1NC[C@@H]1CCNC(=O)C1 ZINC001162337997 964937812 /nfs/dbraw/zinc/93/78/12/964937812.db2.gz DQRJPGHPPUOTSM-SNVBAGLBSA-N 0 0 233.315 1.666 20 10 BDCDRN CN(C)c1cc(NCc2ccc(N)cc2)ncn1 ZINC001162784919 965170002 /nfs/dbraw/zinc/17/00/02/965170002.db2.gz ZHOCPXTXCUKFOD-UHFFFAOYSA-N 0 0 243.314 1.737 20 10 BDCDRN COc1ncc(F)c(NCc2ccc(N)cc2)n1 ZINC001162785366 965170302 /nfs/dbraw/zinc/17/03/02/965170302.db2.gz BGNKUJBAPIBILV-UHFFFAOYSA-N 0 0 248.261 1.819 20 10 BDCDRN [O-]c1cc(F)cc(F)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236290102 966343417 /nfs/dbraw/zinc/34/34/17/966343417.db2.gz RQFNOLDYMLEZQX-RDDDGLTNSA-N 0 0 240.253 1.074 20 10 BDCDRN COc1cccc(CN2CC(F)(F)C2)c1O ZINC001203586057 966695909 /nfs/dbraw/zinc/69/59/09/966695909.db2.gz WTIXLKDENDPGMZ-UHFFFAOYSA-N 0 0 229.226 1.852 20 10 BDCDRN COc1ccc(CN2CCC(=O)C[C@H]2C)c(O)c1 ZINC001203620413 966709119 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0 0 202.257 1.467 20 10 BDCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccno1 ZINC001205305847 967500368 /nfs/dbraw/zinc/50/03/68/967500368.db2.gz MANJGOPKINRLJB-UHFFFAOYSA-N 0 0 240.209 1.948 20 10 BDCDRN Oc1cccc(Nc2cnn(C3COC3)c2)c1O ZINC001205571704 967703239 /nfs/dbraw/zinc/70/32/39/967703239.db2.gz QESAGQVEWADKJV-UHFFFAOYSA-N 0 0 247.254 1.609 20 10 BDCDRN Cn1ccc2ccc(CC(=O)NC3CC3)cc21 ZINC001250379449 967801463 /nfs/dbraw/zinc/80/14/63/967801463.db2.gz QLZAVWNWWRIWGR-UHFFFAOYSA-N 0 0 228.295 1.999 20 10 BDCDRN C[C@@H]1COCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831868 967822486 /nfs/dbraw/zinc/82/24/86/967822486.db2.gz QNUXJJRDJUIUOD-JTQLQIEISA-N 0 0 239.290 2.000 20 10 BDCDRN O=C([O-])CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309542007 967938692 /nfs/dbraw/zinc/93/86/92/967938692.db2.gz YNDYXJAHJBGXRZ-SECBINFHSA-N 0 0 221.256 1.444 20 10 BDCDRN C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1[NH3+] ZINC001206070404 968039050 /nfs/dbraw/zinc/03/90/50/968039050.db2.gz HWWSKIPHSICXRB-GMSGAONNSA-N 0 0 242.269 1.449 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/nfs/dbraw/zinc/62/62/12/587626212.db2.gz RPVVFOSFWAAOOK-NSHDSACASA-N 0 0 241.312 1.753 20 10 BDCDRN C[C@]1(CO)CCCN1C(=O)C1=CC(=O)CS1 ZINC000832170305 587647966 /nfs/dbraw/zinc/64/79/66/587647966.db2.gz BFQHINVJPXSTTR-LLVKDONJSA-N 0 0 241.312 1.441 20 10 BDCDRN CN(C)C(=O)C1(C(=O)Nc2ccc(N)cc2)CC1 ZINC000832250456 587652205 /nfs/dbraw/zinc/65/22/05/587652205.db2.gz RVPQBIDVNLIIAO-UHFFFAOYSA-N 0 0 247.298 1.076 20 10 BDCDRN CCC[C@H](O)CCNC(=O)C1=CC(=O)CS1 ZINC000832673558 587676549 /nfs/dbraw/zinc/67/65/49/587676549.db2.gz JIOCQHREJNNURV-QMMMGPOBSA-N 0 0 243.328 1.735 20 10 BDCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@@H]1CO ZINC000832761513 587685747 /nfs/dbraw/zinc/68/57/47/587685747.db2.gz ZIDIODOZCHJSTO-VXNVDRBHSA-N 0 0 241.312 1.297 20 10 BDCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H]1CO ZINC000832761436 587685919 /nfs/dbraw/zinc/68/59/19/587685919.db2.gz ZIDIODOZCHJSTO-CBAPKCEASA-N 0 0 241.312 1.297 20 10 BDCDRN Cn1ccc(C=C2SC(=S)NC2=O)n1 ZINC000002573452 587767080 /nfs/dbraw/zinc/76/70/80/587767080.db2.gz VSKDEFIKTBRPBZ-XQRVVYSFSA-N 0 0 225.298 1.320 20 10 BDCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000835026148 587779147 /nfs/dbraw/zinc/77/91/47/587779147.db2.gz QUAKIVKVTBXTKM-JZIMQPMSSA-N 0 0 246.354 1.832 20 10 BDCDRN C[NH2+]CCNCc1c(O)cc(C)cc1Cl ZINC000841037153 587937922 /nfs/dbraw/zinc/93/79/22/587937922.db2.gz PFWPYSHPCSSPKB-UHFFFAOYSA-N 0 0 228.723 1.663 20 10 BDCDRN Oc1ccc(Cl)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036715 587938148 /nfs/dbraw/zinc/93/81/48/587938148.db2.gz WGRBEZAYUHWODN-LLVKDONJSA-N 0 0 240.734 1.887 20 10 BDCDRN C[C@@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841062785 587941567 /nfs/dbraw/zinc/94/15/67/587941567.db2.gz GDVWGDWBEOWAGN-ZETCQYMHSA-N 0 0 214.696 1.482 20 10 BDCDRN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841078577 587944599 /nfs/dbraw/zinc/94/45/99/587944599.db2.gz JEBGNQLJTYYGRG-UWVGGRQHSA-N 0 0 242.269 1.321 20 10 BDCDRN CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841297286 587950523 /nfs/dbraw/zinc/95/05/23/587950523.db2.gz DMSUDIPXBVVOLE-TXEJJXNPSA-N 0 0 249.314 1.958 20 10 BDCDRN C[C@@]1(O)C[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000842271021 588010611 /nfs/dbraw/zinc/01/06/11/588010611.db2.gz UQNRYCMJRCVMKJ-XGAOUMNUSA-N 0 0 227.285 1.097 20 10 BDCDRN Cc1cc(C)c(O)c(CN2CN(C)C(=O)[C@@H]2C)c1 ZINC000842640650 588048285 /nfs/dbraw/zinc/04/82/85/588048285.db2.gz KJQOOZJCEPCKJL-NSHDSACASA-N 0 0 248.326 1.629 20 10 BDCDRN CO[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159181 588088193 /nfs/dbraw/zinc/08/81/93/588088193.db2.gz MBJYNFRVAJVIKU-MRVPVSSYSA-N 0 0 233.271 1.950 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)C1 ZINC000843820014 588143115 /nfs/dbraw/zinc/14/31/15/588143115.db2.gz INWSGDNRHUKFHR-SNVBAGLBSA-N 0 0 247.294 1.720 20 10 BDCDRN COc1ccc(N(C)Cc2cnn(C)n2)cc1 ZINC000844354814 588187497 /nfs/dbraw/zinc/18/74/97/588187497.db2.gz HQBBMSMCEKRROG-UHFFFAOYSA-N 0 0 232.287 1.460 20 10 BDCDRN CN(Cc1cnsn1)Cc1ccccc1O ZINC000846823810 588291072 /nfs/dbraw/zinc/29/10/72/588291072.db2.gz ADKCTAWEYZUFIQ-UHFFFAOYSA-N 0 0 235.312 1.876 20 10 BDCDRN CCc1cccc(CN2CC(=O)N[C@@H](C)C2)c1O ZINC000848915273 588420180 /nfs/dbraw/zinc/42/01/80/588420180.db2.gz FFZZPBXSAKSMMD-JTQLQIEISA-N 0 0 248.326 1.275 20 10 BDCDRN Nc1ccc(-n2cc(C3(O)CCC3)nn2)cc1 ZINC000849134745 588453414 /nfs/dbraw/zinc/45/34/14/588453414.db2.gz NRSLUYSOXZLAKY-UHFFFAOYSA-N 0 0 230.271 1.221 20 10 BDCDRN CCNC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371520 588537440 /nfs/dbraw/zinc/53/74/40/588537440.db2.gz FOUPSRUFRGYKMB-UHFFFAOYSA-N 0 0 237.372 1.737 20 10 BDCDRN CO[C@H]1CC[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000850711586 588562899 /nfs/dbraw/zinc/56/28/99/588562899.db2.gz OZJOLLPRJHVILZ-YPMHNXCESA-N 0 0 248.326 1.700 20 10 BDCDRN CC[C@@H](O)CNC(=O)Nc1ccc(N)cc1 ZINC000850751298 588565185 /nfs/dbraw/zinc/56/51/85/588565185.db2.gz ZZLLLXJGJBWQCS-SNVBAGLBSA-N 0 0 223.276 1.161 20 10 BDCDRN COc1ccc(N(C)Cc2cnon2)c(OC)c1 ZINC000851864632 588636075 /nfs/dbraw/zinc/63/60/75/588636075.db2.gz GKCOURIQMYZMPJ-UHFFFAOYSA-N 0 0 249.270 1.723 20 10 BDCDRN CO[C@@H](C)CNC(=O)NCc1ccccc1O ZINC000852530909 588688271 /nfs/dbraw/zinc/68/82/71/588688271.db2.gz RWPOOZYBQQIEAI-VIFPVBQESA-N 0 0 238.287 1.226 20 10 BDCDRN CC[C@H](OC)C(=O)NCc1cc(C)ccc1O ZINC000862758988 589237778 /nfs/dbraw/zinc/23/77/78/589237778.db2.gz SGGOPQKREVPXTO-LBPRGKRZSA-N 0 0 237.299 1.742 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000862760449 589237857 /nfs/dbraw/zinc/23/78/57/589237857.db2.gz RAEANDHKCCMGKH-GFCCVEGCSA-N 0 0 248.326 1.411 20 10 BDCDRN CN(CC(=O)NCC(C)(C)C)c1ccc(N)cc1 ZINC000863558403 589298911 /nfs/dbraw/zinc/29/89/11/589298911.db2.gz HFWAVKXXXURLCJ-UHFFFAOYSA-N 0 0 249.358 1.867 20 10 BDCDRN C[C@H](O)C1([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000864053420 589335976 /nfs/dbraw/zinc/33/59/76/589335976.db2.gz WTDULXJMTIJGQU-ZETCQYMHSA-N 0 0 243.253 1.673 20 10 BDCDRN COCCNC(=O)N[C@H](C)c1ccccc1O ZINC000864424944 589361848 /nfs/dbraw/zinc/36/18/48/589361848.db2.gz QVTVDVKMBNXBBC-SECBINFHSA-N 0 0 238.287 1.399 20 10 BDCDRN Nc1ccc(OCc2cn(CCF)nn2)cc1 ZINC000864628852 589385751 /nfs/dbraw/zinc/38/57/51/589385751.db2.gz QOSGOLJOQRKQQK-UHFFFAOYSA-N 0 0 236.250 1.409 20 10 BDCDRN CC1(NC(=O)/C=C\c2ccc(O)c(O)c2)COC1 ZINC000870664776 589681036 /nfs/dbraw/zinc/68/10/36/589681036.db2.gz YKQDAHWCNQMPLC-HYXAFXHYSA-N 0 0 249.266 1.016 20 10 BDCDRN O=C(N1Cc2cccc(O)c2C1)C1(O)CCC1 ZINC000871204417 589742267 /nfs/dbraw/zinc/74/22/67/589742267.db2.gz IOCDXGJQTJJYCC-UHFFFAOYSA-N 0 0 233.267 1.149 20 10 BDCDRN C[C@H]1OCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202955 589744316 /nfs/dbraw/zinc/74/43/16/589744316.db2.gz HYALEWJAPKQEHM-MWLCHTKSSA-N 0 0 247.294 1.659 20 10 BDCDRN CCC[C@@H](O)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203621 589744685 /nfs/dbraw/zinc/74/46/85/589744685.db2.gz OPQDLLJHNDUSPN-LLVKDONJSA-N 0 0 249.310 1.786 20 10 BDCDRN CC(C)[N@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876538380 590211891 /nfs/dbraw/zinc/21/18/91/590211891.db2.gz HUYGQGXPPYBCAP-UHFFFAOYSA-N 0 0 245.269 1.873 20 10 BDCDRN Cc1cccc(O)c1C[NH+]1CCC(CO)CC1 ZINC000876565343 590217091 /nfs/dbraw/zinc/21/70/91/590217091.db2.gz UONBVIDFVNFOSO-UHFFFAOYSA-N 0 0 235.327 1.905 20 10 BDCDRN COC(=O)CN(Cc1ccc(C)cc1O)C1CC1 ZINC000876801111 590243516 /nfs/dbraw/zinc/24/35/16/590243516.db2.gz VCMDKBWFZSDVPR-UHFFFAOYSA-N 0 0 249.310 1.838 20 10 BDCDRN O=C(Nc1cccnc1)c1cccc(O)c1O ZINC000126194373 590246854 /nfs/dbraw/zinc/24/68/54/590246854.db2.gz STCRZUPMKMWKDD-UHFFFAOYSA-N 0 0 230.223 1.745 20 10 BDCDRN Cc1cc(NC(=O)c2cccc(O)c2O)n(C)n1 ZINC000126220965 590254964 /nfs/dbraw/zinc/25/49/64/590254964.db2.gz XLAJIFSMRRGFTJ-UHFFFAOYSA-N 0 0 247.254 1.392 20 10 BDCDRN Nc1ccc(CC(=O)N(C2CC2)C2CC2)cc1 ZINC000877023617 590270651 /nfs/dbraw/zinc/27/06/51/590270651.db2.gz YGEVAPIZBBLHPS-UHFFFAOYSA-N 0 0 230.311 1.965 20 10 BDCDRN Cc1cccc(O)c1CNCc1cnn(C)n1 ZINC000877522797 590347295 /nfs/dbraw/zinc/34/72/95/590347295.db2.gz RTTUXLBTKYRVDW-UHFFFAOYSA-N 0 0 232.287 1.119 20 10 BDCDRN Cc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c(O)c1 ZINC000877535516 590350306 /nfs/dbraw/zinc/35/03/06/590350306.db2.gz PEVQBNRFOAXRDH-NSHDSACASA-N 0 0 248.326 1.398 20 10 BDCDRN Cc1ccc(C[NH2+]Cc2cnnn2C)c(O)c1 ZINC000877534972 590350448 /nfs/dbraw/zinc/35/04/48/590350448.db2.gz RDQUBKFZZIFFRM-UHFFFAOYSA-N 0 0 232.287 1.119 20 10 BDCDRN OCc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000877702726 590395441 /nfs/dbraw/zinc/39/54/41/590395441.db2.gz FKOQVZGLEJCVCX-UHFFFAOYSA-N 0 0 245.278 1.993 20 10 BDCDRN Oc1cccc2c1CN(Cc1csnn1)C2 ZINC000877702724 590395877 /nfs/dbraw/zinc/39/58/77/590395877.db2.gz FIIVPKFUFYJLFU-UHFFFAOYSA-N 0 0 233.296 1.760 20 10 BDCDRN Cc1cc(CN2Cc3cccc(O)c3C2)n(C)n1 ZINC000877702522 590396261 /nfs/dbraw/zinc/39/62/61/590396261.db2.gz ACFJZONWMFRWGT-UHFFFAOYSA-N 0 0 243.310 1.950 20 10 BDCDRN Cn1cnc([N+](=O)[O-])c1NCc1ccccc1O ZINC000133738321 591851813 /nfs/dbraw/zinc/85/18/13/591851813.db2.gz PCRHPQMWPMCTPU-UHFFFAOYSA-N 0 0 248.242 1.646 20 10 BDCDRN Cc1nnc(CNCc2ccccc2O)s1 ZINC000134665163 591945732 /nfs/dbraw/zinc/94/57/32/591945732.db2.gz RRQWMFBJLICXCK-UHFFFAOYSA-N 0 0 235.312 1.842 20 10 BDCDRN C[C@H]1C(=O)CCCN1C(=O)C1=CC(=O)CS1 ZINC000885053084 592040172 /nfs/dbraw/zinc/04/01/72/592040172.db2.gz DAMQWUYIKRVIHM-ZETCQYMHSA-N 0 0 239.296 1.647 20 10 BDCDRN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1c([O-])cccc1F ZINC000886522912 592244532 /nfs/dbraw/zinc/24/45/32/592244532.db2.gz SYBPNBJNWVTUBA-NXEZZACHSA-N 0 0 238.306 1.886 20 10 BDCDRN CC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)OC ZINC000302094966 592544715 /nfs/dbraw/zinc/54/47/15/592544715.db2.gz GRYCWRHWXXADKV-GFCCVEGCSA-N 0 0 249.310 1.663 20 10 BDCDRN CCOc1cccc(C[N@H+](C)CC(=O)[O-])c1O ZINC000077253446 598116026 /nfs/dbraw/zinc/11/60/26/598116026.db2.gz QQDDKJULHHHSLK-UHFFFAOYSA-N 0 0 239.271 1.307 20 10 BDCDRN Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000083406940 598131287 /nfs/dbraw/zinc/13/12/87/598131287.db2.gz NGGHMMSWQDMYGA-VIFPVBQESA-N 0 0 223.272 1.606 20 10 BDCDRN O=C([O-])CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258900865 598166130 /nfs/dbraw/zinc/16/61/30/598166130.db2.gz OBPLCOMAPTULPG-UHFFFAOYSA-N 0 0 249.310 1.966 20 10 BDCDRN C[N@H+](Cc1cc(F)ccc1O)C(C)(C)C(=O)[O-] ZINC000234281524 605477547 /nfs/dbraw/zinc/47/75/47/605477547.db2.gz AQHDHDSIJCWPIV-UHFFFAOYSA-N 0 0 241.262 1.826 20 10 BDCDRN O=C(NCc1ccccc1O)c1ccc[nH]1 ZINC000082277531 631403019 /nfs/dbraw/zinc/40/30/19/631403019.db2.gz XTOMVQYUZKJHRI-UHFFFAOYSA-N 0 0 216.240 1.650 20 10 BDCDRN CN(C)C(=O)CCCC(=O)Nc1ccc(N)cc1 ZINC000237133968 635818902 /nfs/dbraw/zinc/81/89/02/635818902.db2.gz NBFNTYLQZAQEDI-UHFFFAOYSA-N 0 0 249.314 1.466 20 10 BDCDRN COCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000157754964 632543887 /nfs/dbraw/zinc/54/38/87/632543887.db2.gz KLWJOGPQQYHVLA-UHFFFAOYSA-N 0 0 215.680 1.782 20 10 BDCDRN Nc1ccc(CC(=O)N[C@@H]2CCCOCC2)cc1 ZINC000310893808 633015702 /nfs/dbraw/zinc/01/57/02/633015702.db2.gz ZQUKHOPNHAMNFA-CYBMUJFWSA-N 0 0 248.326 1.497 20 10 BDCDRN C[C@H](N[C@@H]1CCOC1=O)c1ccccc1O ZINC000019876315 636111543 /nfs/dbraw/zinc/11/15/43/636111543.db2.gz 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1.874 20 10 BDCDRN C[C@H](CO)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190854945 641891572 /nfs/dbraw/zinc/89/15/72/641891572.db2.gz MDFZEDNZDMQQOY-ZCFIWIBFSA-N 0 0 233.670 1.655 20 10 BDCDRN CCN1CN(Cc2ccccc2O)CC1=O ZINC000191837390 641947296 /nfs/dbraw/zinc/94/72/96/641947296.db2.gz NBKAMEQRRAEHBN-UHFFFAOYSA-N 0 0 220.272 1.014 20 10 BDCDRN CCOc1ccccc1NC[C@H](O)COC ZINC000068891309 642807109 /nfs/dbraw/zinc/80/71/09/642807109.db2.gz CPDSYWHAAFLACK-JTQLQIEISA-N 0 0 225.288 1.505 20 10 BDCDRN CSCCC(=O)N(C)c1ccc(N)cc1 ZINC000069979337 642950020 /nfs/dbraw/zinc/95/00/20/642950020.db2.gz SZEDUZYZDJQMSV-UHFFFAOYSA-N 0 0 224.329 1.985 20 10 BDCDRN COCc1nc(CSc2nccs2)no1 ZINC000182711329 643058912 /nfs/dbraw/zinc/05/89/12/643058912.db2.gz SJJLXLZMOJKUAH-UHFFFAOYSA-N 0 0 243.313 1.965 20 10 BDCDRN CC(C)(O)c1cn(-c2ccc(N)cc2)nn1 ZINC000072155133 643216503 /nfs/dbraw/zinc/21/65/03/643216503.db2.gz SHKYHTAOIORXKJ-UHFFFAOYSA-N 0 0 218.260 1.077 20 10 BDCDRN COc1ccc(CNc2ncccn2)c(O)c1 ZINC000083357878 643437093 /nfs/dbraw/zinc/43/70/93/643437093.db2.gz FBCFUEDYTGFFAY-UHFFFAOYSA-N 0 0 231.255 1.803 20 10 BDCDRN Cc1ccc(O)c(CNCc2ccon2)c1 ZINC000086452630 644139527 /nfs/dbraw/zinc/13/95/27/644139527.db2.gz FKOYYAOBQHKPLQ-UHFFFAOYSA-N 0 0 218.256 1.978 20 10 BDCDRN CCONC(=O)NCc1ccc(N(C)C)cc1 ZINC000193180341 644219816 /nfs/dbraw/zinc/21/98/16/644219816.db2.gz CLNUHBVFVVKUEM-UHFFFAOYSA-N 0 0 237.303 1.503 20 10 BDCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC=CCC1 ZINC000779546331 644713976 /nfs/dbraw/zinc/71/39/76/644713976.db2.gz NSDYJGWTSZEOAW-FNORWQNLSA-N 0 0 245.278 1.900 20 10 BDCDRN CC(=O)C(=O)COC(=O)C1CCCCCC1 ZINC000808512438 644882919 /nfs/dbraw/zinc/88/29/19/644882919.db2.gz KBAKDIGCKWKQCD-UHFFFAOYSA-N 0 0 226.272 1.658 20 10 BDCDRN CC(C)[C@H](O)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964408 645087974 /nfs/dbraw/zinc/08/79/74/645087974.db2.gz NEGBJKYOHRHDBA-CABZTGNLSA-N 0 0 237.299 1.586 20 10 BDCDRN C[C@H](NC(=O)C1(O)CCC1)c1ccccc1O ZINC000827968830 645090062 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CC1(C)CN(Cc2cc(O)ccc2O)CCO1 ZINC001141155854 960892783 /nfs/dbraw/zinc/89/27/83/960892783.db2.gz MSLJDFFEPJPJSU-UHFFFAOYSA-N 0 0 237.299 1.709 20 10 BDCDRN CN(Cc1cnn(C)c1)Cc1cc(O)ccc1O ZINC001141156101 960893284 /nfs/dbraw/zinc/89/32/84/960893284.db2.gz QMEYYGJMPHTWOD-UHFFFAOYSA-N 0 0 247.298 1.463 20 10 BDCDRN Oc1ccc(O)c(CN2CCn3cncc3C2)c1 ZINC001141159978 960895224 /nfs/dbraw/zinc/89/52/24/960895224.db2.gz NXGDDKISGYKHLG-UHFFFAOYSA-N 0 0 245.282 1.310 20 10 BDCDRN Oc1ccc(O)c(CN2CCn3ccnc3C2)c1 ZINC001141157145 960895387 /nfs/dbraw/zinc/89/53/87/960895387.db2.gz CQGMWZNKGDYJDD-UHFFFAOYSA-N 0 0 245.282 1.310 20 10 BDCDRN Cn1ncc2c1CN(Cc1cc(O)ccc1O)C2 ZINC001141160418 960895940 /nfs/dbraw/zinc/89/59/40/960895940.db2.gz XUVKIUHJXARIIF-UHFFFAOYSA-N 0 0 245.282 1.347 20 10 BDCDRN C[C@@H]1CN(Cc2cc(O)ccc2O)[C@@H](C)CO1 ZINC001141162515 960899098 /nfs/dbraw/zinc/89/90/98/960899098.db2.gz VNTQHJNXKHMEKN-VHSXEESVSA-N 0 0 237.299 1.707 20 10 BDCDRN C[C@H]1COCCN1Cc1cc(F)c(F)cc1O ZINC001142508935 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NC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000817960266 586851236 /nfs/dbraw/zinc/85/12/36/586851236.db2.gz LHBYWTJRECOYTK-RYUDHWBXSA-N 0 0 232.327 1.706 20 10 BDCDRN Cc1cc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000818849337 586914180 /nfs/dbraw/zinc/91/41/80/586914180.db2.gz VYCYASDKZAHDOB-NSHDSACASA-N 0 0 249.310 1.916 20 10 BDCDRN CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)[O-] ZINC000820419171 587047509 /nfs/dbraw/zinc/04/75/09/587047509.db2.gz NPDLWPQGACLQKJ-WCBMZHEXSA-N 0 0 223.272 1.906 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@@H](O)C2)c1 ZINC000824904667 587293273 /nfs/dbraw/zinc/29/32/73/587293273.db2.gz VTXCFCHEASRJJH-JGZJWPJOSA-N 0 0 235.283 1.088 20 10 BDCDRN CC[C@@H](O)CC(=O)NCc1ccccc1O ZINC000827288007 587375476 /nfs/dbraw/zinc/37/54/76/587375476.db2.gz SCECUXAPATYVGD-SNVBAGLBSA-N 0 0 223.272 1.169 20 10 BDCDRN CC1=NO[C@H](C(=O)N[C@H](C)c2ccccc2O)C1 ZINC000827952069 587412927 /nfs/dbraw/zinc/41/29/27/587412927.db2.gz FNSDGPYNVXWEON-SKDRFNHKSA-N 0 0 248.282 1.734 20 10 BDCDRN C[C@H](NC(=O)[C@H]1CCC(=O)O1)c1ccccc1O ZINC000827956552 587413038 /nfs/dbraw/zinc/41/30/38/587413038.db2.gz NGBDGGVHQYGCOL-GZMMTYOYSA-N 0 0 249.266 1.275 20 10 BDCDRN CCN(CC[S@@](C)=O)c1ccc(OC)cc1 ZINC000828172891 587423108 /nfs/dbraw/zinc/42/31/08/587423108.db2.gz UZJQNUJXJUJZEK-MRXNPFEDSA-N 0 0 241.356 1.900 20 10 BDCDRN CC[C@](C)(O)C(=O)N[C@@H](C)c1ccccc1O ZINC000828538883 587449410 /nfs/dbraw/zinc/44/94/10/587449410.db2.gz CTFHKLXNPOWURT-ZANVPECISA-N 0 0 237.299 1.730 20 10 BDCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)C(C)(C)O ZINC000829444745 587497418 /nfs/dbraw/zinc/49/74/18/587497418.db2.gz BEJBKFJVQGJEDA-ZCFIWIBFSA-N 0 0 229.301 1.343 20 10 BDCDRN C[C@@]1(CO)CCCN1C(=O)C1=CC(=O)CS1 ZINC000832170306 587648132 /nfs/dbraw/zinc/64/81/32/587648132.db2.gz BFQHINVJPXSTTR-NSHDSACASA-N 0 0 241.312 1.441 20 10 BDCDRN O=C(O[C@@H]1CCOC1)c1cccc(O)c1O ZINC000837648806 587887616 /nfs/dbraw/zinc/88/76/16/587887616.db2.gz XEVNIAOWHPXDGZ-SSDOTTSWSA-N 0 0 224.212 1.044 20 10 BDCDRN 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BDCDRN COc1ccc(N(C)C[C@@H]2CCC(=O)O2)cc1 ZINC000852209830 588672398 /nfs/dbraw/zinc/67/23/98/588672398.db2.gz TXGPJMWKWVOLHB-LBPRGKRZSA-N 0 0 235.283 1.837 20 10 BDCDRN C/C=C/CNC(=O)NCCc1ccc(N)cc1 ZINC000861639480 589172241 /nfs/dbraw/zinc/17/22/41/589172241.db2.gz CVXYHVMDPPHJIQ-NSCUHMNNSA-N 0 0 233.315 1.687 20 10 BDCDRN COC/C(C)=C/C(=O)NCc1cc(C)ccc1O ZINC000862755134 589237034 /nfs/dbraw/zinc/23/70/34/589237034.db2.gz OKAUJBXMOVSOEN-YRNVUSSQSA-N 0 0 249.310 1.910 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@](C)(O)C2CC2)c1 ZINC000862755046 589237611 /nfs/dbraw/zinc/23/76/11/589237611.db2.gz BCUNKKYALIMLBY-AWEZNQCLSA-N 0 0 249.310 1.478 20 10 BDCDRN CN(C)c1ccc(CNC(=O)N2CC=CC2)cc1 ZINC000866045206 589473760 /nfs/dbraw/zinc/47/37/60/589473760.db2.gz HYIQIZHJWZBZFS-UHFFFAOYSA-N 0 0 245.326 1.834 20 10 BDCDRN O=C(C1CC1)N1Cc2cccc(O)c2C1 ZINC000871197657 589743515 /nfs/dbraw/zinc/74/35/15/589743515.db2.gz CROFBOPDYOOULK-UHFFFAOYSA-N 0 0 203.241 1.644 20 10 BDCDRN CC(=O)CCC(=O)N1Cc2cccc(O)c2C1 ZINC000871199683 589743972 /nfs/dbraw/zinc/74/39/72/589743972.db2.gz SIORAVXRGQLRNA-UHFFFAOYSA-N 0 0 233.267 1.604 20 10 BDCDRN COC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202222 589744597 /nfs/dbraw/zinc/74/45/97/589744597.db2.gz APHKKNXLWVMPPL-UHFFFAOYSA-N 0 0 235.283 1.659 20 10 BDCDRN COCC1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205040 589745304 /nfs/dbraw/zinc/74/53/04/589745304.db2.gz UEZPOOIGKWHNHG-UHFFFAOYSA-N 0 0 247.294 1.661 20 10 BDCDRN CC(C)Nc1ccccc1NCc1nnnn1C ZINC000871847366 589824862 /nfs/dbraw/zinc/82/48/62/589824862.db2.gz QBHXSVDGNDXFMJ-UHFFFAOYSA-N 0 0 246.318 1.643 20 10 BDCDRN COC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000019885505 590032884 /nfs/dbraw/zinc/03/28/84/590032884.db2.gz YHFGHMNVBXATJG-QMMMGPOBSA-N 0 0 239.271 1.224 20 10 BDCDRN CCCONC(=O)NCc1cc(C)ccc1O ZINC000875691570 590168470 /nfs/dbraw/zinc/16/84/70/590168470.db2.gz XPGYIJWXMIHREU-UHFFFAOYSA-N 0 0 238.287 1.841 20 10 BDCDRN Cc1ccc(CN2CCNC(=O)[C@H]2C)c(O)c1 ZINC000876651487 590226174 /nfs/dbraw/zinc/22/61/74/590226174.db2.gz CPOAZTMYVHSRCB-SNVBAGLBSA-N 0 0 234.299 1.021 20 10 BDCDRN CN(C(=O)CCCCC(N)=O)c1ccc(N)cc1 ZINC000877075795 590278681 /nfs/dbraw/zinc/27/86/81/590278681.db2.gz HWXAZIRHAABLRA-UHFFFAOYSA-N 0 0 249.314 1.277 20 10 BDCDRN CN(C(=O)[C@H]1C[C@@H](O)C1)c1ccc(N)cc1 ZINC000877076103 590278703 /nfs/dbraw/zinc/27/87/03/590278703.db2.gz JTLXKNXKFAZTMX-DKTWLAJQSA-N 0 0 220.272 1.003 20 10 BDCDRN CCN1CCN(Cc2c(C)cccc2O)CC1=O ZINC000877339845 590317594 /nfs/dbraw/zinc/31/75/94/590317594.db2.gz HDKPFMZGYIRSQU-UHFFFAOYSA-N 0 0 248.326 1.365 20 10 BDCDRN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc(O)c1O ZINC000126568548 590350947 /nfs/dbraw/zinc/35/09/47/590350947.db2.gz FSAXBSXBFGIVAZ-DTWKUNHWSA-N 0 0 235.283 1.968 20 10 BDCDRN Cn1cncc1CN1Cc2cccc(O)c2C1 ZINC000877703422 590396077 /nfs/dbraw/zinc/39/60/77/590396077.db2.gz IPAQIBIWMHXEQV-UHFFFAOYSA-N 0 0 229.283 1.642 20 10 BDCDRN COC(=O)[C@@H](N[C@@H](C)c1ccccc1O)C1CC1 ZINC000879650919 590843398 /nfs/dbraw/zinc/84/33/98/590843398.db2.gz WYSNYYPVYGJVGW-ZANVPECISA-N 0 0 249.310 1.994 20 10 BDCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000131192104 591566004 /nfs/dbraw/zinc/56/60/04/591566004.db2.gz NPVIULSMWWYILP-ZJUUUORDSA-N 0 0 237.299 1.840 20 10 BDCDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)C1=CC(=O)CS1 ZINC000889330883 591765130 /nfs/dbraw/zinc/76/51/30/591765130.db2.gz FMIUARRGLFJODE-DTWKUNHWSA-N 0 0 241.312 1.703 20 10 BDCDRN C[C@@H]([NH2+]CCO)c1cc(F)cc(F)c1[O-] ZINC000134911107 591959018 /nfs/dbraw/zinc/95/90/18/591959018.db2.gz OLNUCSKENBTNJS-ZCFIWIBFSA-N 0 0 217.215 1.313 20 10 BDCDRN C[C@H]([NH2+][C@H]1CCN(C)C1)c1c([O-])cccc1F ZINC000886522913 592244267 /nfs/dbraw/zinc/24/42/67/592244267.db2.gz SYBPNBJNWVTUBA-UWVGGRQHSA-N 0 0 238.306 1.886 20 10 BDCDRN C[C@H](O)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886528369 592246197 /nfs/dbraw/zinc/24/61/97/592246197.db2.gz KYTYRYSAZGNXQB-IUCAKERBSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1c([O-])cccc1F ZINC000886629576 592281499 /nfs/dbraw/zinc/28/14/99/592281499.db2.gz IRTIBOZLBGKLHA-SZEHBUNVSA-N 0 0 225.263 1.705 20 10 BDCDRN CON(C)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886634863 592284348 /nfs/dbraw/zinc/28/43/48/592284348.db2.gz OQSBGDXBRWNSKW-SECBINFHSA-N 0 0 242.294 1.675 20 10 BDCDRN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1c([O-])cccc1F ZINC000886650641 592288980 /nfs/dbraw/zinc/28/89/80/592288980.db2.gz ZZHAMMLOZKIRTP-OPRDCNLKSA-N 0 0 239.290 1.953 20 10 BDCDRN Cc1coc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000887274613 592475469 /nfs/dbraw/zinc/47/54/69/592475469.db2.gz XLUFKYCSLNJQCD-UHFFFAOYSA-N 0 0 248.238 1.022 20 10 BDCDRN C[C@H](CC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000738891143 597001651 /nfs/dbraw/zinc/00/16/51/597001651.db2.gz NIYLFHZHMSIAAU-SNVBAGLBSA-N 0 0 236.315 1.705 20 10 BDCDRN CC[C@@H]([NH2+]Cc1ccccc1O)C(=O)[O-] ZINC000084847069 597153584 /nfs/dbraw/zinc/15/35/84/597153584.db2.gz KPQUMOQJPIVUPC-SECBINFHSA-N 0 0 209.245 1.345 20 10 BDCDRN C[C@H]([NH2+]CCCC(=O)[O-])c1ccccc1O ZINC000037418421 597733099 /nfs/dbraw/zinc/73/30/99/597733099.db2.gz FBAOQESOACKDFJ-VIFPVBQESA-N 0 0 223.272 1.908 20 10 BDCDRN CN(C)c1ccc(C[NH2+]CCNC(=O)[O-])cc1 ZINC000739617147 602047339 /nfs/dbraw/zinc/04/73/39/602047339.db2.gz DLLVKFGYBITCAT-UHFFFAOYSA-N 0 0 237.303 1.110 20 10 BDCDRN O=C([O-])NCCC[NH2+]Cc1ccccc1O ZINC000740652991 602648428 /nfs/dbraw/zinc/64/84/28/602648428.db2.gz QNGJGKNHOFXXSQ-UHFFFAOYSA-N 0 0 224.260 1.140 20 10 BDCDRN Cc1ccc(O)c(C[NH2+]CCCNC(=O)[O-])c1 ZINC000740142587 602876350 /nfs/dbraw/zinc/87/63/50/602876350.db2.gz CDALAAXYQPWNRH-UHFFFAOYSA-N 0 0 238.287 1.448 20 10 BDCDRN COc1ccc2c(c1)CCN2Cc1cnn(C)c1 ZINC000195120219 634416703 /nfs/dbraw/zinc/41/67/03/634416703.db2.gz UOCWVTJHPMACFR-UHFFFAOYSA-N 0 0 243.310 1.991 20 10 BDCDRN CCCC(=O)NCC(=O)Nc1ccc(N)cc1 ZINC000236716586 635604093 /nfs/dbraw/zinc/60/40/93/635604093.db2.gz UNBCTBALEODIAQ-UHFFFAOYSA-N 0 0 235.287 1.124 20 10 BDCDRN CN(C)c1ccc(C[N@H+](CC(=O)[O-])C2CC2)cc1 ZINC000076633882 631301205 /nfs/dbraw/zinc/30/12/05/631301205.db2.gz HZWXHTLGMMBOID-UHFFFAOYSA-N 0 0 248.326 1.802 20 10 BDCDRN CCOC(=O)c1cnc(SCCO)s1 ZINC000308458474 631346425 /nfs/dbraw/zinc/34/64/25/631346425.db2.gz DVGACPKAYSSPDF-UHFFFAOYSA-N 0 0 233.314 1.404 20 10 BDCDRN CC1(C)C(=O)NCCN1Cc1ccccc1O ZINC000179570308 632746892 /nfs/dbraw/zinc/74/68/92/632746892.db2.gz SUKWNDSXTJGVAJ-UHFFFAOYSA-N 0 0 234.299 1.103 20 10 BDCDRN C[C@H](C[C@H](C)O)[NH2+]Cc1cccc(F)c1[O-] ZINC000164592104 633079352 /nfs/dbraw/zinc/07/93/52/633079352.db2.gz MEPHCRUXWUFPQY-BDAKNGLRSA-N 0 0 227.279 1.780 20 10 BDCDRN C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(F)cc(F)c1[O-] ZINC000925862554 635561641 /nfs/dbraw/zinc/56/16/41/635561641.db2.gz UIEFDZKARCWWOC-HTRCEHHLSA-N 0 0 244.241 1.224 20 10 BDCDRN CC1(NC(=O)c2cccc(O)c2O)CCC1 ZINC000163279423 636352825 /nfs/dbraw/zinc/35/28/25/636352825.db2.gz GIIPVEQCYREZGR-UHFFFAOYSA-N 0 0 221.256 1.770 20 10 BDCDRN Nc1ccc(NC(=O)NCC[C@H](O)C2CC2)cc1 ZINC000904502511 637430508 /nfs/dbraw/zinc/43/05/08/637430508.db2.gz ZRBSGNURMOMDBB-LBPRGKRZSA-N 0 0 249.314 1.551 20 10 BDCDRN O=C(NCc1c(O)cccc1F)NCC1CC1 ZINC000905146890 637655972 /nfs/dbraw/zinc/65/59/72/637655972.db2.gz FHPIIHPACCGLCZ-UHFFFAOYSA-N 0 0 238.262 1.741 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000910950463 639540191 /nfs/dbraw/zinc/54/01/91/639540191.db2.gz FTSSQFVYMLINEQ-PJXYFTJBSA-N 0 0 247.294 1.760 20 10 BDCDRN CC(C)OCC(=O)NCc1ccc(O)cc1O ZINC000910953399 639543131 /nfs/dbraw/zinc/54/31/31/639543131.db2.gz ALKAJWJFGCSZTC-UHFFFAOYSA-N 0 0 239.271 1.139 20 10 BDCDRN CSCCC(=O)NCc1ccc(O)cc1O ZINC000910956878 639543893 /nfs/dbraw/zinc/54/38/93/639543893.db2.gz HXXKIEQVELCUKS-UHFFFAOYSA-N 0 0 241.312 1.467 20 10 BDCDRN O=C(CCCF)NCc1ccc(O)cc1O ZINC000910944146 639547203 /nfs/dbraw/zinc/54/72/03/639547203.db2.gz SGQGLNZPJCQJQC-UHFFFAOYSA-N 0 0 227.235 1.464 20 10 BDCDRN C/C=C/[C@H](O)C(=O)NCc1cc(C)ccc1O ZINC000913000695 640271676 /nfs/dbraw/zinc/27/16/76/640271676.db2.gz RQENMWZJQKUENM-PCAWENJQSA-N 0 0 235.283 1.254 20 10 BDCDRN Oc1ccc(F)cc1CNCc1ccon1 ZINC000226613762 640779793 /nfs/dbraw/zinc/77/97/93/640779793.db2.gz TWYSTNBEKVCJFZ-UHFFFAOYSA-N 0 0 222.219 1.809 20 10 BDCDRN CCNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000171730853 641006591 /nfs/dbraw/zinc/00/65/91/641006591.db2.gz PWYLEJUGYLKTTO-MRVPVSSYSA-N 0 0 238.287 1.781 20 10 BDCDRN Cc1cnc(CNCc2ccccc2O)o1 ZINC000231788137 641203332 /nfs/dbraw/zinc/20/33/32/641203332.db2.gz NSGWYJZBRTUUJA-UHFFFAOYSA-N 0 0 218.256 1.978 20 10 BDCDRN C/C=C/[C@@H](O)C(=O)N[C@H](C)c1ccccc1O ZINC000913763897 641468940 /nfs/dbraw/zinc/46/89/40/641468940.db2.gz UXTZAZPCQFUHOA-HGRCLKNCSA-N 0 0 235.283 1.506 20 10 BDCDRN CCN1CC(=O)N[C@@H]1c1cc(C)c(C)cc1O ZINC000189872659 641823238 /nfs/dbraw/zinc/82/32/38/641823238.db2.gz LFWWSWBUCZYQJR-ZDUSSCGKSA-N 0 0 234.299 1.459 20 10 BDCDRN CN(C)c1ccc(Cn2ccnc2[N+](=O)[O-])cc1 ZINC000918387252 642196483 /nfs/dbraw/zinc/19/64/83/642196483.db2.gz NDONBGALWDOAOM-UHFFFAOYSA-N 0 0 246.270 1.906 20 10 BDCDRN COc1cccc(CN(C)Cc2nc[nH]n2)c1O ZINC000179795947 642746931 /nfs/dbraw/zinc/74/69/31/642746931.db2.gz IOIBBQDEAOYAHU-UHFFFAOYSA-N 0 0 248.286 1.151 20 10 BDCDRN O=S(=O)(Nc1ccc(O)cc1Cl)C1CC1 ZINC000082879855 643385808 /nfs/dbraw/zinc/38/58/08/643385808.db2.gz WRLCFTOXDWQMEF-UHFFFAOYSA-N 0 0 247.703 1.950 20 10 BDCDRN CC[C@@H](COC)NC(=O)Nc1ccc(N)cc1 ZINC000079769055 644210881 /nfs/dbraw/zinc/21/08/81/644210881.db2.gz ZIVJSFUFELBBEN-JTQLQIEISA-N 0 0 237.303 1.815 20 10 BDCDRN O=C(NCc1ccc[nH]1)c1cccc(O)c1O ZINC000187145733 644362622 /nfs/dbraw/zinc/36/26/22/644362622.db2.gz VOWOZUNONDYXRA-UHFFFAOYSA-N 0 0 232.239 1.356 20 10 BDCDRN CCCN(CCO)C(=O)C1=CC(=O)CS1 ZINC000760137813 644645725 /nfs/dbraw/zinc/64/57/25/644645725.db2.gz IUDSADZBDJZKSU-UHFFFAOYSA-N 0 0 229.301 1.298 20 10 BDCDRN CC(=O)C(=O)COC(=O)c1ccc(C)nc1C ZINC000808506604 644883047 /nfs/dbraw/zinc/88/30/47/644883047.db2.gz OJVKPTOSBUQRDY-UHFFFAOYSA-N 0 0 235.239 1.013 20 10 BDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CC23CC3)c1 ZINC000817550454 644987539 /nfs/dbraw/zinc/98/75/39/644987539.db2.gz UXMUFZGMNFMNFH-NSHDSACASA-N 0 0 247.294 1.817 20 10 BDCDRN CCOCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703284724 712069351 /nfs/dbraw/zinc/06/93/51/712069351.db2.gz FVEAVRBLSBGLPD-UHFFFAOYSA-N 0 0 231.242 1.797 20 10 BDCDRN O=C(NCc1ccccc1O)c1ccsn1 ZINC000705406363 712131486 /nfs/dbraw/zinc/13/14/86/712131486.db2.gz GDIKFFUDMOLXLJ-UHFFFAOYSA-N 0 0 234.280 1.779 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C/C=C/CO ZINC000708420544 712193937 /nfs/dbraw/zinc/19/39/37/712193937.db2.gz JMFXVHOZFUSJQT-OWOJBTEDSA-N 0 0 229.226 1.309 20 10 BDCDRN COCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708494805 712211958 /nfs/dbraw/zinc/21/19/58/712211958.db2.gz PUNSWFSUIIJFAE-UHFFFAOYSA-N 0 0 243.253 1.939 20 10 BDCDRN C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708534685 712211968 /nfs/dbraw/zinc/21/19/68/712211968.db2.gz DDCHXPKUZGARAF-WRWORJQWSA-N 0 0 243.253 1.795 20 10 BDCDRN Cc1ccc([C@@H](C)NCc2nnn(C)n2)c(O)c1 ZINC000398084872 711401056 /nfs/dbraw/zinc/40/10/56/711401056.db2.gz PLRIEHDUNWDEKU-SECBINFHSA-N 0 0 247.302 1.075 20 10 BDCDRN C[C@@H]1COCC[C@H]1C(=O)NCc1ccccc1O ZINC000385347728 711010799 /nfs/dbraw/zinc/01/07/99/711010799.db2.gz KVZFUZJZTAJMLJ-ZYHUDNBSSA-N 0 0 249.310 1.681 20 10 BDCDRN C[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1O ZINC000389835638 711090153 /nfs/dbraw/zinc/09/01/53/711090153.db2.gz OHPLMMOADUSXKZ-VIFPVBQESA-N 0 0 232.287 1.372 20 10 BDCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)[nH]n1 ZINC000701180835 712017957 /nfs/dbraw/zinc/01/79/57/712017957.db2.gz RAZIADGAIKBIDX-UHFFFAOYSA-N 0 0 245.282 1.696 20 10 BDCDRN CC1(NC(=O)c2cccc(O)c2O)CC=CC1 ZINC000702192134 712040957 /nfs/dbraw/zinc/04/09/57/712040957.db2.gz ZREZNTYKAKTPAD-UHFFFAOYSA-N 0 0 233.267 1.936 20 10 BDCDRN CC[C@@H](CCO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708484362 712185650 /nfs/dbraw/zinc/18/56/50/712185650.db2.gz HJPPVMPZTLDUJP-JTQLQIEISA-N 0 0 245.269 1.921 20 10 BDCDRN C[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708387207 712191885 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COCCC1(C(=O)NCc2ccc(N)cc2)CC1 ZINC000297245618 174150147 /nfs/dbraw/zinc/15/01/47/174150147.db2.gz QGCARQAQJVTUFM-UHFFFAOYSA-N 0 0 248.326 1.702 20 10 BDCDRN COCCCC(=O)N(C)Cc1ccccc1O ZINC000298806983 174161026 /nfs/dbraw/zinc/16/10/26/174161026.db2.gz SXYSRYSLRBCTGZ-UHFFFAOYSA-N 0 0 237.299 1.777 20 10 BDCDRN COCCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000062030132 174211840 /nfs/dbraw/zinc/21/18/40/174211840.db2.gz IVYUZMOPSZZYHM-UHFFFAOYSA-N 0 0 236.315 1.306 20 10 BDCDRN COCCCN(C)C(=O)c1cccc(O)c1O ZINC000126397299 174213718 /nfs/dbraw/zinc/21/37/18/174213718.db2.gz MHHJRMBNRKUGFF-UHFFFAOYSA-N 0 0 239.271 1.206 20 10 BDCDRN COCCSc1ncc([N+](=O)[O-])s1 ZINC000192472699 174377187 /nfs/dbraw/zinc/37/71/87/174377187.db2.gz VMOKAACNLQRBPX-UHFFFAOYSA-N 0 0 220.275 1.790 20 10 BDCDRN COC[C@@H](O)CN(C)c1ccc(OC)c(F)c1 ZINC000177268815 174491790 /nfs/dbraw/zinc/49/17/90/174491790.db2.gz YZDFVDMNXRXVCG-JTQLQIEISA-N 0 0 243.278 1.278 20 10 BDCDRN COc1ccc(N(C#N)CC(=O)C(C)=O)cc1 ZINC000289734710 175135335 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20 10 BDCDRN C[C@@H](NC(=O)C1CSC1)c1ccccc1O ZINC000827952496 587412712 /nfs/dbraw/zinc/41/27/12/587412712.db2.gz VPHWGJWFVZXZTL-MRVPVSSYSA-N 0 0 237.324 1.932 20 10 BDCDRN C[C@H](NC(=O)[C@H]1CCCOC1)c1ccccc1O ZINC000827978281 587414684 /nfs/dbraw/zinc/41/46/84/587414684.db2.gz NPJVDNMXIYCGBY-QWRGUYRKSA-N 0 0 249.310 1.996 20 10 BDCDRN C[C@H](NC(=O)CC1(C)COC1)c1ccccc1O ZINC000828539666 587449532 /nfs/dbraw/zinc/44/95/32/587449532.db2.gz SNBBHEUZQHGCKM-JTQLQIEISA-N 0 0 249.310 1.996 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000829815737 587519889 /nfs/dbraw/zinc/51/98/89/587519889.db2.gz SJGGVLOPYWROOJ-NSHDSACASA-N 0 0 238.283 1.824 20 10 BDCDRN CC[C@@](C)(O)C(=O)NCc1c(O)cccc1F ZINC000830180766 587540308 /nfs/dbraw/zinc/54/03/08/587540308.db2.gz SOLBHWALRHSEKC-GFCCVEGCSA-N 0 0 241.262 1.309 20 10 BDCDRN Cc1ccc(O)c(C[NH2+]C2CN(C(=O)[O-])C2)c1 ZINC000830400695 587550558 /nfs/dbraw/zinc/55/05/58/587550558.db2.gz LYIAIFYXSGAVKT-UHFFFAOYSA-N 0 0 236.271 1.152 20 10 BDCDRN NC(=O)CCCCC(=O)Nc1ccc(N)cc1 ZINC000832250180 587651950 /nfs/dbraw/zinc/65/19/50/587651950.db2.gz LVHNVOHETWXTEP-UHFFFAOYSA-N 0 0 235.287 1.253 20 10 BDCDRN CCC[C@@H](O)CCNC(=O)C1=CC(=O)CS1 ZINC000832673557 587676422 /nfs/dbraw/zinc/67/64/22/587676422.db2.gz JIOCQHREJNNURV-MRVPVSSYSA-N 0 0 243.328 1.735 20 10 BDCDRN C[C@H](F)CCNC(=O)c1c(F)ccc(O)c1O ZINC000832884201 587694022 /nfs/dbraw/zinc/69/40/22/587694022.db2.gz QVYKZKDIERYSOJ-LURJTMIESA-N 0 0 245.225 1.715 20 10 BDCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@H]1C ZINC000832888673 587694372 /nfs/dbraw/zinc/69/43/72/587694372.db2.gz KYJIQLGSODZEOQ-RQJHMYQMSA-N 0 0 211.286 1.934 20 10 BDCDRN O=C([O-])N1CC(C[NH2+]Cc2ccccc2O)C1 ZINC000834068211 587743689 /nfs/dbraw/zinc/74/36/89/587743689.db2.gz AGZSJKNBRAJHLU-UHFFFAOYSA-N 0 0 236.271 1.092 20 10 BDCDRN COC(=O)[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000834819411 587767415 /nfs/dbraw/zinc/76/74/15/587767415.db2.gz NAHJSUKWJXXHJY-ZCFIWIBFSA-N 0 0 243.284 1.087 20 10 BDCDRN CCCCOCC(=O)NCc1ccc(N)cc1 ZINC000837303038 587864537 /nfs/dbraw/zinc/86/45/37/587864537.db2.gz RBNNMRZKTFKRIE-UHFFFAOYSA-N 0 0 236.315 1.702 20 10 BDCDRN Nc1ccc(CNC(=O)/C=C\C2CC2)cc1 ZINC000837303186 587864599 /nfs/dbraw/zinc/86/45/99/587864599.db2.gz XYYXWOGFPQCOAZ-YVMONPNESA-N 0 0 216.284 1.851 20 10 BDCDRN NCC(F)(F)CNCc1ccc2c(c1)CCO2 ZINC000841059963 587941387 /nfs/dbraw/zinc/94/13/87/587941387.db2.gz OMWLIPDEHFFPBW-UHFFFAOYSA-N 0 0 242.269 1.305 20 10 BDCDRN CN(CC[NH3+])Cc1cccc(Cl)c1[O-] ZINC000841100187 587946373 /nfs/dbraw/zinc/94/63/73/587946373.db2.gz FSJZCPJVOSYWBD-UHFFFAOYSA-N 0 0 214.696 1.436 20 10 BDCDRN Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CO)cc1 ZINC000841297606 587950717 /nfs/dbraw/zinc/95/07/17/587950717.db2.gz HHVNQJATODADPB-BXKDBHETSA-N 0 0 249.314 1.551 20 10 BDCDRN Cc1ocnc1C(=O)N(C)Cc1ccccc1O ZINC000104853120 588049913 /nfs/dbraw/zinc/04/99/13/588049913.db2.gz KMWSGNMZUBKWIO-UHFFFAOYSA-N 0 0 246.266 1.961 20 10 BDCDRN [NH3+][C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843043968 588076370 /nfs/dbraw/zinc/07/63/70/588076370.db2.gz RIZCZEWEHFCOKE-JTQLQIEISA-N 0 0 240.734 1.969 20 10 BDCDRN Cc1ccc(O)c(CN2CN(C)C(=O)[C@H]2C)c1 ZINC000843435138 588109972 /nfs/dbraw/zinc/10/99/72/588109972.db2.gz IJPCUUKFIRVJMF-SNVBAGLBSA-N 0 0 234.299 1.321 20 10 BDCDRN COC1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000843820231 588143133 /nfs/dbraw/zinc/14/31/33/588143133.db2.gz OVGUEUYVYBEXFL-UHFFFAOYSA-N 0 0 235.283 1.530 20 10 BDCDRN C[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)CO1 ZINC000844152995 588171170 /nfs/dbraw/zinc/17/11/70/588171170.db2.gz JFKIKWBZGZUTLI-RNFRBKRXSA-N 0 0 227.285 1.361 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@H]1CC[C@H](C)CC1 ZINC000845422445 588229262 /nfs/dbraw/zinc/22/92/62/588229262.db2.gz AWEYQURUJDBMBL-CZMCAQCFSA-N 0 0 226.272 1.514 20 10 BDCDRN COC/C(C)=C\C(=O)NCc1ccccc1O ZINC000845832284 588247178 /nfs/dbraw/zinc/24/71/78/588247178.db2.gz AKWGDGRKGNUBCQ-YFHOEESVSA-N 0 0 235.283 1.601 20 10 BDCDRN C[C@@H](CO)CN(C)c1ccc2c(c1)OCO2 ZINC000121596782 588257612 /nfs/dbraw/zinc/25/76/12/588257612.db2.gz YSOQZILXNKYBBY-SECBINFHSA-N 0 0 223.272 1.480 20 10 BDCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000006027047 588314468 /nfs/dbraw/zinc/31/44/68/588314468.db2.gz OABUZGQTMZSWTB-CYBMUJFWSA-N 0 0 248.326 1.802 20 10 BDCDRN C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000848637663 588403263 /nfs/dbraw/zinc/40/32/63/588403263.db2.gz JRNYUKGMAXOIKH-ZETCQYMHSA-N 0 0 243.690 1.856 20 10 BDCDRN CCc1cccc(CN2CC(=O)N(C)C2)c1O ZINC000848902504 588418711 /nfs/dbraw/zinc/41/87/11/588418711.db2.gz OYYAPXFCDCYMMW-UHFFFAOYSA-N 0 0 234.299 1.186 20 10 BDCDRN O=C1NCC[C@@H]1Sc1ncc(Cl)s1 ZINC000850000572 588513627 /nfs/dbraw/zinc/51/36/27/588513627.db2.gz ZNIAFPFTHJZTIJ-BYPYZUCNSA-N 0 0 234.733 1.777 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1CCC1(C)C ZINC000850069719 588517389 /nfs/dbraw/zinc/51/73/89/588517389.db2.gz PKZVFQCYSUFDRI-QMMMGPOBSA-N 0 0 212.245 1.124 20 10 BDCDRN CC1=NO[C@@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000862754984 589237582 /nfs/dbraw/zinc/23/75/82/589237582.db2.gz MOOBWGPQBNEYLV-GFCCVEGCSA-N 0 0 248.282 1.482 20 10 BDCDRN CC[C@@H](OC)C(=O)NCc1cc(C)ccc1O ZINC000862758987 589237871 /nfs/dbraw/zinc/23/78/71/589237871.db2.gz SGGOPQKREVPXTO-GFCCVEGCSA-N 0 0 237.299 1.742 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000862761399 589237895 /nfs/dbraw/zinc/23/78/95/589237895.db2.gz PXVHBTIXFMGEFZ-GXSJLCMTSA-N 0 0 219.284 1.973 20 10 BDCDRN COc1cccc(O)c1CN[C@@H]1CC[NH2+][C@H]1C ZINC000863486982 589293287 /nfs/dbraw/zinc/29/32/87/589293287.db2.gz HPMQZYGPZKJLFF-GXSJLCMTSA-N 0 0 236.315 1.241 20 10 BDCDRN Cc1nc(C(=O)NCc2cc(C)ccc2O)no1 ZINC000863499359 589294579 /nfs/dbraw/zinc/29/45/79/589294579.db2.gz XCIRRBYDZVCSIC-UHFFFAOYSA-N 0 0 247.254 1.322 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CC[C@@H]1C(F)F ZINC000868606355 589567655 /nfs/dbraw/zinc/56/76/55/589567655.db2.gz RYZQFTWCEKOAMN-SSDOTTSWSA-N 0 0 243.209 1.577 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000869705203 589623909 /nfs/dbraw/zinc/62/39/09/589623909.db2.gz XZVUEVMXODHWKF-CABZTGNLSA-N 0 0 224.256 1.268 20 10 BDCDRN O=C([C@@H]1CCSC1)N1Cc2cccc(O)c2C1 ZINC000871203619 589744307 /nfs/dbraw/zinc/74/43/07/589744307.db2.gz OOYPBFJJHBOPDL-SNVBAGLBSA-N 0 0 249.335 1.988 20 10 BDCDRN O=C(CCCF)N1Cc2cccc(O)c2C1 ZINC000871204132 589744644 /nfs/dbraw/zinc/74/46/44/589744644.db2.gz DBZJCIGTTWFACE-UHFFFAOYSA-N 0 0 223.247 1.984 20 10 BDCDRN C[C@H]1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CO1 ZINC000871204606 589745159 /nfs/dbraw/zinc/74/51/59/589745159.db2.gz MHMCELWNAUSWLU-ONGXEEELSA-N 0 0 247.294 1.659 20 10 BDCDRN COC1(C(=O)N2Cc3cccc(O)c3C2)CCC1 ZINC000871204661 589745250 /nfs/dbraw/zinc/74/52/50/589745250.db2.gz OBWNEACOKRZJTI-UHFFFAOYSA-N 0 0 247.294 1.804 20 10 BDCDRN CC[C@@H](OC(=O)c1cccc(O)c1O)C(C)=O ZINC000873380504 590034210 /nfs/dbraw/zinc/03/42/10/590034210.db2.gz QQHIWXKHSROZBG-SNVBAGLBSA-N 0 0 238.239 1.622 20 10 BDCDRN CC(=O)C(=O)COC(=O)C1CCC=CCC1 ZINC000873429933 590043259 /nfs/dbraw/zinc/04/32/59/590043259.db2.gz DRPBTZHKWYTMEF-UHFFFAOYSA-N 0 0 224.256 1.434 20 10 BDCDRN CCCNC(=O)CN(C)c1ccc(N)cc1 ZINC000020374715 590104549 /nfs/dbraw/zinc/10/45/49/590104549.db2.gz IBZHXSNWJDHIOG-UHFFFAOYSA-N 0 0 221.304 1.231 20 10 BDCDRN CN(CC(=O)NCC1CC1)c1ccc(N)cc1 ZINC000020374394 590104616 /nfs/dbraw/zinc/10/46/16/590104616.db2.gz MZWUBENOJANXRW-UHFFFAOYSA-N 0 0 233.315 1.231 20 10 BDCDRN COC(=O)CN(C)Cc1ccc(C)cc1O ZINC000876588458 590219271 /nfs/dbraw/zinc/21/92/71/590219271.db2.gz WGIDRFMMXJZCML-UHFFFAOYSA-N 0 0 223.272 1.305 20 10 BDCDRN Nc1ccc(CC(=O)Nc2ccncc2)cc1 ZINC000021966836 590270691 /nfs/dbraw/zinc/27/06/91/590270691.db2.gz DJPRMXRGESAMPA-UHFFFAOYSA-N 0 0 227.267 1.845 20 10 BDCDRN O=C(NCCc1ccco1)c1cccc(O)c1O ZINC000126301297 590271647 /nfs/dbraw/zinc/27/16/47/590271647.db2.gz BWPWNYBEJMSMOI-UHFFFAOYSA-N 0 0 247.250 1.663 20 10 BDCDRN CCC1(C(=O)N(C)c2ccc(N)cc2)COC1 ZINC000877078354 590279133 /nfs/dbraw/zinc/27/91/33/590279133.db2.gz NFJGZZPMLTZEHD-UHFFFAOYSA-N 0 0 234.299 1.658 20 10 BDCDRN Cc1ccc(CN2CC(=O)N(C)C[C@@H]2C)c(O)c1 ZINC000877461307 590331274 /nfs/dbraw/zinc/33/12/74/590331274.db2.gz DKKGRLHHCVWKEH-NSHDSACASA-N 0 0 248.326 1.363 20 10 BDCDRN CN(C)c1ccc(CN2CC(C)(O)C2)cc1 ZINC000877581015 590366195 /nfs/dbraw/zinc/36/61/95/590366195.db2.gz KULUWRRQJRONCT-UHFFFAOYSA-N 0 0 220.316 1.319 20 10 BDCDRN Cn1ncc2c1CN(Cc1cc(F)ccc1O)C2 ZINC000877633001 590379078 /nfs/dbraw/zinc/37/90/78/590379078.db2.gz VKPSBONPIXALNQ-UHFFFAOYSA-N 0 0 247.273 1.781 20 10 BDCDRN CCOc1ccc(O)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000877672581 590389579 /nfs/dbraw/zinc/38/95/79/590389579.db2.gz HOHIZBNZNQOZIP-UHFFFAOYSA-N 0 0 247.298 1.804 20 10 BDCDRN CCOc1ccc(N(C)CCn2cnnn2)cc1 ZINC000878126620 590501401 /nfs/dbraw/zinc/50/14/01/590501401.db2.gz XZSXIGVDRBNVSX-UHFFFAOYSA-N 0 0 247.302 1.208 20 10 BDCDRN COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000131191664 591566250 /nfs/dbraw/zinc/56/62/50/591566250.db2.gz NPVIULSMWWYILP-NXEZZACHSA-N 0 0 237.299 1.840 20 10 BDCDRN Cc1cc(Cl)cc(C[N@H+](C)CCO)c1O ZINC000132475615 591711117 /nfs/dbraw/zinc/71/11/17/591711117.db2.gz QNPUVKPJXYUWJQ-UHFFFAOYSA-N 0 0 229.707 1.778 20 10 BDCDRN CNC(=O)CN(C)Cc1c(O)cccc1Cl ZINC000132593998 591722333 /nfs/dbraw/zinc/72/23/33/591722333.db2.gz NWRBJRCLLVPQQH-UHFFFAOYSA-N 0 0 242.706 1.223 20 10 BDCDRN C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134899862 591958113 /nfs/dbraw/zinc/95/81/13/591958113.db2.gz OCEFYCUWARQNOH-RQJHMYQMSA-N 0 0 231.242 1.702 20 10 BDCDRN CC[C@@H](CO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489735 592235659 /nfs/dbraw/zinc/23/56/59/592235659.db2.gz POEJCEFRAIURLA-IUCAKERBSA-N 0 0 227.279 1.953 20 10 BDCDRN C[C@H](CC(N)=O)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886543168 592255856 /nfs/dbraw/zinc/25/58/56/592255856.db2.gz LIVPPSBYLVVUBP-HTQZYQBOSA-N 0 0 240.278 1.446 20 10 BDCDRN Cc1ccc(O)c(C[N@H+](C)CC(=O)[O-])c1 ZINC000078636250 598117246 /nfs/dbraw/zinc/11/72/46/598117246.db2.gz KWJGPIFLKBUHKY-UHFFFAOYSA-N 0 0 209.245 1.217 20 10 BDCDRN Cc1ccc(O)c(C[NH+]2CCC(C(=O)[O-])CC2)c1 ZINC000086727632 598121078 /nfs/dbraw/zinc/12/10/78/598121078.db2.gz GXXQMBKFMPDVCE-UHFFFAOYSA-N 0 0 249.310 1.997 20 10 BDCDRN C[C@@]1(NC(=O)Nc2ccc(N)cc2)CCCOC1 ZINC000235418838 632717179 /nfs/dbraw/zinc/71/71/79/632717179.db2.gz OFCBOGXPSWZKSM-CYBMUJFWSA-N 0 0 249.314 1.959 20 10 BDCDRN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000235709689 632819754 /nfs/dbraw/zinc/81/97/54/632819754.db2.gz WPUYCNRRKVZPHP-GXFFZTMASA-N 0 0 248.326 1.495 20 10 BDCDRN CC(=O)C(=O)COC(=O)c1cc(C)c(C)cn1 ZINC000923784916 632913811 /nfs/dbraw/zinc/91/38/11/632913811.db2.gz DKGXIOVKXCTIMN-UHFFFAOYSA-N 0 0 235.239 1.013 20 10 BDCDRN [NH3+][C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000309379693 632994710 /nfs/dbraw/zinc/99/47/10/632994710.db2.gz RISQPMGNWVLGIX-VIFPVBQESA-N 0 0 226.707 1.579 20 10 BDCDRN COC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894857781 635957093 /nfs/dbraw/zinc/95/70/93/635957093.db2.gz SQPALSOTBOMLJH-JTQLQIEISA-N 0 0 243.253 1.891 20 10 BDCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000309547709 633951068 /nfs/dbraw/zinc/95/10/68/633951068.db2.gz DWULZRQKKPFUHO-GHMZBOCLSA-N 0 0 225.263 1.534 20 10 BDCDRN CC1(C)CN(C(=O)c2cccc(O)c2O)C1 ZINC000309711553 633996287 /nfs/dbraw/zinc/99/62/87/633996287.db2.gz KDDBOFDFVVLLON-UHFFFAOYSA-N 0 0 221.256 1.580 20 10 BDCDRN C[C@@H](O)C(=O)NCCCSc1nccs1 ZINC000305739325 636330056 /nfs/dbraw/zinc/33/00/56/636330056.db2.gz ZJZCIAYHOLFZHB-SSDOTTSWSA-N 0 0 246.357 1.122 20 10 BDCDRN C[C@H]([NH2+]CCCON)c1ccc(F)cc1[O-] ZINC000902425915 637305641 /nfs/dbraw/zinc/30/56/41/637305641.db2.gz PFMZOBLAIYMRNF-QMMMGPOBSA-N 0 0 228.267 1.462 20 10 BDCDRN Nc1ccc(NC(=O)NC[C@H]2CCCCO2)cc1 ZINC000042825688 637388775 /nfs/dbraw/zinc/38/87/75/637388775.db2.gz DZKCNIYYFKBHTN-GFCCVEGCSA-N 0 0 249.314 1.959 20 10 BDCDRN CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCc1ccccc1O ZINC000907057350 638296053 /nfs/dbraw/zinc/29/60/53/638296053.db2.gz VNVWODSLXAXEFK-JIMOISOXSA-N 0 0 249.310 1.679 20 10 BDCDRN CCS(=O)(=O)NCc1cccc(Cl)c1O ZINC000908327406 638666103 /nfs/dbraw/zinc/66/61/03/638666103.db2.gz ICTFTILDWWXKHZ-UHFFFAOYSA-N 0 0 249.719 1.485 20 10 BDCDRN CS[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910952766 639543145 /nfs/dbraw/zinc/54/31/45/639543145.db2.gz XWLVQUJTUHKUNB-ZETCQYMHSA-N 0 0 241.312 1.466 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)C1(F)CC1 ZINC000910944925 639550385 /nfs/dbraw/zinc/55/03/85/639550385.db2.gz ZEZWVJOIICSVTF-UHFFFAOYSA-N 0 0 225.219 1.216 20 10 BDCDRN C[C@@H]1C[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910947810 639550715 /nfs/dbraw/zinc/55/07/15/639550715.db2.gz NPMDRDDCTZBCSB-GMSGAONNSA-N 0 0 221.256 1.370 20 10 BDCDRN C[C@@H](NC(=O)c1cccc(O)c1O)c1cn[nH]c1 ZINC000229416802 640953871 /nfs/dbraw/zinc/95/38/71/640953871.db2.gz BTTLGXMPLIUHFT-SSDOTTSWSA-N 0 0 247.254 1.312 20 10 BDCDRN CCN1CC(=O)N[C@@H]1c1ccc2c(c1)CCN2C ZINC000189865162 641822098 /nfs/dbraw/zinc/82/20/98/641822098.db2.gz GYCAGFXEMSUDIQ-AWEZNQCLSA-N 0 0 245.326 1.129 20 10 BDCDRN O=C(NCCCF)c1cccc(O)c1O ZINC000189910311 641824778 /nfs/dbraw/zinc/82/47/78/641824778.db2.gz ODRQRDKXURDRDW-UHFFFAOYSA-N 0 0 213.208 1.187 20 10 BDCDRN OC1(CSc2nccs2)CCOCC1 ZINC000916759242 641974821 /nfs/dbraw/zinc/97/48/21/641974821.db2.gz HIKMYYQZISVECD-UHFFFAOYSA-N 0 0 231.342 1.777 20 10 BDCDRN CCNC(=S)N(C)Cc1ccccc1O ZINC000917581642 642092677 /nfs/dbraw/zinc/09/26/77/642092677.db2.gz MBWYXNVRDRTECB-UHFFFAOYSA-N 0 0 224.329 1.718 20 10 BDCDRN C[C@@H](NC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000920867167 642558291 /nfs/dbraw/zinc/55/82/91/642558291.db2.gz OHVGJSGYQBBPLM-SNVBAGLBSA-N 0 0 249.314 1.253 20 10 BDCDRN O=S(=O)(NCc1c(O)cccc1F)C1CC1 ZINC000921452077 642626765 /nfs/dbraw/zinc/62/67/65/642626765.db2.gz CQGBLPGPIAQLLX-UHFFFAOYSA-N 0 0 245.275 1.113 20 10 BDCDRN COC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000064517333 642671105 /nfs/dbraw/zinc/67/11/05/642671105.db2.gz MJPWDNCJGZXQQX-UHFFFAOYSA-N 0 0 239.271 1.313 20 10 BDCDRN Cc1cccc(CNCC(F)(F)CO)c1O ZINC000185661192 643349910 /nfs/dbraw/zinc/34/99/10/643349910.db2.gz PIUWNMGSVITDBI-UHFFFAOYSA-N 0 0 231.242 1.418 20 10 BDCDRN Oc1ccccc1CNCc1ccon1 ZINC000086452734 644139068 /nfs/dbraw/zinc/13/90/68/644139068.db2.gz AQGMKYUIFXACBR-UHFFFAOYSA-N 0 0 204.229 1.670 20 10 BDCDRN Cn1ncnc1Sc1ncc([N+](=O)[O-])s1 ZINC000192548515 644162565 /nfs/dbraw/zinc/16/25/65/644162565.db2.gz XXIOZCQZYQPGBV-UHFFFAOYSA-N 0 0 243.273 1.331 20 10 BDCDRN COC(=O)NCc1ccc(N(C)C)cc1 ZINC000082254760 644363703 /nfs/dbraw/zinc/36/37/03/644363703.db2.gz UZLONUZRERPKEM-UHFFFAOYSA-N 0 0 208.261 1.609 20 10 BDCDRN CCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000086733671 644471523 /nfs/dbraw/zinc/47/15/23/644471523.db2.gz TVKVWIOFVSEZQC-LBPRGKRZSA-N 0 0 249.310 1.964 20 10 BDCDRN C/C=C/C(=O)N(C)Cc1ccccc1O ZINC000087333696 644487773 /nfs/dbraw/zinc/48/77/73/644487773.db2.gz ZMHOBELPNJXJKF-ZZXKWVIFSA-N 0 0 205.257 1.927 20 10 BDCDRN CC(=O)C(=O)COC(=O)C=C(C)c1ccccc1 ZINC000808506297 644883379 /nfs/dbraw/zinc/88/33/79/644883379.db2.gz JKROASSAUHFUJR-NTMALXAHSA-N 0 0 246.262 1.791 20 10 BDCDRN CO[C@H](C(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000827964734 645087768 /nfs/dbraw/zinc/08/77/68/645087768.db2.gz STPONYFXWYKOTQ-ZANVPECISA-N 0 0 249.310 1.994 20 10 BDCDRN C[C@H](NC(=O)[C@H]1CO[C@H](C)C1)c1ccccc1O ZINC000827969219 645089416 /nfs/dbraw/zinc/08/94/16/645089416.db2.gz KONAMBMXTCCMEZ-OUAUKWLOSA-N 0 0 249.310 1.994 20 10 BDCDRN CN(C)CC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703520404 712077754 /nfs/dbraw/zinc/07/77/54/712077754.db2.gz ZNNRWOZYQGJVGI-UHFFFAOYSA-N 0 0 244.285 1.664 20 10 BDCDRN CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ccc(N)cc1 ZINC000385880695 711019326 /nfs/dbraw/zinc/01/93/26/711019326.db2.gz BIOVLOCLLDUHJW-GDNZZTSVSA-N 0 0 232.283 1.124 20 10 BDCDRN COc1ccc(CNCc2cn[nH]n2)cc1C ZINC000398334230 711408617 /nfs/dbraw/zinc/40/86/17/711408617.db2.gz AHNDCTYDWYVOQP-UHFFFAOYSA-N 0 0 232.287 1.412 20 10 BDCDRN c1nc(CNCc2ccc3c(c2)CCO3)co1 ZINC000397875727 711394104 /nfs/dbraw/zinc/39/41/04/711394104.db2.gz VOUVOFVYYJGNEW-UHFFFAOYSA-N 0 0 230.267 1.899 20 10 BDCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397882668 711394895 /nfs/dbraw/zinc/39/48/95/711394895.db2.gz OOCMHJPHSVRIBA-PTEHBNRSSA-N 0 0 230.311 1.726 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)c1cncnc1 ZINC000383641119 711874128 /nfs/dbraw/zinc/87/41/28/711874128.db2.gz NFMYLBNHFNZFIY-UHFFFAOYSA-N 0 0 243.266 1.454 20 10 BDCDRN COC1CC(C(=O)NCc2ccccc2O)C1 ZINC000703332443 712070562 /nfs/dbraw/zinc/07/05/62/712070562.db2.gz GXPFLUPJBJAKAO-UHFFFAOYSA-N 0 0 235.283 1.433 20 10 BDCDRN CC[C@@H](CCO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703418419 712076723 /nfs/dbraw/zinc/07/67/23/712076723.db2.gz XENDXQQEMBALLB-VIFPVBQESA-N 0 0 245.269 1.921 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CC2(C1)CCCO2 ZINC000705816475 712136677 /nfs/dbraw/zinc/13/66/77/712136677.db2.gz XTOFTMYGJOPRLV-UHFFFAOYSA-N 0 0 249.266 1.103 20 10 BDCDRN C[S@](=O)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708435157 712193647 /nfs/dbraw/zinc/19/36/47/712193647.db2.gz BBHOXIIODWTGFD-INIZCTEOSA-N 0 0 249.282 1.139 20 10 BDCDRN CN(CC[NH+](C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708414206 712194341 /nfs/dbraw/zinc/19/43/41/712194341.db2.gz PCUQAUVPZOWXQF-UHFFFAOYSA-N 0 0 244.285 1.664 20 10 BDCDRN CC[C@H](NC(C)=O)C(=O)N(C)c1ccc(N)cc1 ZINC000708888015 712202740 /nfs/dbraw/zinc/20/27/40/712202740.db2.gz MFWNPCWOCCLWMI-LBPRGKRZSA-N 0 0 249.314 1.146 20 10 BDCDRN Nc1ccc(NC(=O)N2CCC[C@H](O)CC2)cc1 ZINC000378676912 712356900 /nfs/dbraw/zinc/35/69/00/712356900.db2.gz QHCCYZBVYIJETI-LBPRGKRZSA-N 0 0 249.314 1.648 20 10 BDCDRN COC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037187438 712552818 /nfs/dbraw/zinc/55/28/18/712552818.db2.gz AFNIVUYGRCSSMY-JTQLQIEISA-N 0 0 236.315 1.576 20 10 BDCDRN Nc1ccc(CC(=O)N[C@H](CO)C2CCC2)cc1 ZINC000717649637 712663404 /nfs/dbraw/zinc/66/34/04/712663404.db2.gz UEQZZMIZQWWFTL-CYBMUJFWSA-N 0 0 248.326 1.089 20 10 BDCDRN CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000042309492 712720470 /nfs/dbraw/zinc/72/04/70/712720470.db2.gz PCODXDHQLRKEKY-UHFFFAOYSA-N 0 0 233.315 1.716 20 10 BDCDRN COc1ccccc1NC[C@@H](O)Cn1cccn1 ZINC000037874598 712778728 /nfs/dbraw/zinc/77/87/28/712778728.db2.gz BGBIVOROSIMLKS-LLVKDONJSA-N 0 0 247.298 1.365 20 10 BDCDRN C[C@H](C(=O)NCc1ccc(N)cc1)[C@H]1CCCO1 ZINC000720589103 712855254 /nfs/dbraw/zinc/85/52/54/712855254.db2.gz PYWGDAAQOVRBRY-GXFFZTMASA-N 0 0 248.326 1.700 20 10 BDCDRN CCS(=O)(=O)NCc1cccc(C)c1O ZINC001253403231 969155585 /nfs/dbraw/zinc/15/55/85/969155585.db2.gz HGLIXMYPVRCUAC-UHFFFAOYSA-N 0 0 229.301 1.140 20 10 BDCDRN COc1cc(O)c(CN2CC(=O)C2)c(Cl)c1 ZINC001236802114 979736764 /nfs/dbraw/zinc/73/67/64/979736764.db2.gz HGWJWSKQKBOQQI-UHFFFAOYSA-N 0 0 241.674 1.439 20 10 BDCDRN O=C([O-])[C@@H](CF)[NH2+]Cc1ccc(Cl)cc1O ZINC001608532605 980226116 /nfs/dbraw/zinc/22/61/16/980226116.db2.gz FMPTVBGCQYPODX-MRVPVSSYSA-N 0 0 247.653 1.558 20 10 BDCDRN C=CS(=O)(=O)Nc1ccc(O)cc1OC ZINC001198609796 982794875 /nfs/dbraw/zinc/79/48/75/982794875.db2.gz NZDPRXFJHDSRJO-UHFFFAOYSA-N 0 0 229.257 1.286 20 10 BDCDRN Nc1ccc(CO[C@@H]2CNCC(F)(F)C2)cc1 ZINC001217854325 971446118 /nfs/dbraw/zinc/44/61/18/971446118.db2.gz FWDYTLNNWXZXFC-NSHDSACASA-N 0 0 242.269 1.783 20 10 BDCDRN CC[C@H]([NH2+]Cc1ccccc1O)C(=O)[O-] ZINC000084847067 949046585 /nfs/dbraw/zinc/04/65/85/949046585.db2.gz KPQUMOQJPIVUPC-VIFPVBQESA-N 0 0 209.245 1.345 20 10 BDCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](F)C1 ZINC001330677477 974407445 /nfs/dbraw/zinc/40/74/45/974407445.db2.gz RATXISXVACZBES-LURJTMIESA-N 0 0 243.209 1.421 20 10 BDCDRN CC(=O)c1cc(Nc2cccc(O)c2O)ccn1 ZINC001210591615 957812396 /nfs/dbraw/zinc/81/23/96/957812396.db2.gz LRNMVMKTRZONNA-UHFFFAOYSA-N 0 0 244.250 1.861 20 10 BDCDRN Cc1nocc1CNC(=O)Cc1ccc(N)cc1 ZINC000398094898 958059303 /nfs/dbraw/zinc/05/93/03/958059303.db2.gz ZPABUMZEDULYBS-UHFFFAOYSA-N 0 0 245.282 1.424 20 10 BDCDRN C[C@@H]1CCN1C(=O)Cc1ccc(N)cc1 ZINC000706860462 958264491 /nfs/dbraw/zinc/26/44/91/958264491.db2.gz DZEAOZJCTYBJKW-SECBINFHSA-N 0 0 204.273 1.432 20 10 BDCDRN CCOC(=O)CN1CCc2cccc(O)c2C1 ZINC001207417579 959928192 /nfs/dbraw/zinc/92/81/92/959928192.db2.gz ZVBPZXHQTFBFRK-UHFFFAOYSA-N 0 0 235.283 1.313 20 10 BDCDRN OC[C@]1(F)CCN(Cc2cc(O)ccc2O)C1 ZINC001141155969 960408668 /nfs/dbraw/zinc/40/86/68/960408668.db2.gz CFHSYSGMBHIFFR-LBPRGKRZSA-N 0 0 241.262 1.004 20 10 BDCDRN COC[C@H]1CC[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140585526 960444259 /nfs/dbraw/zinc/44/42/59/960444259.db2.gz MIGAKHKTWNEWIY-SECBINFHSA-N 0 0 243.253 1.891 20 10 BDCDRN COC(=O)[C@@H]1CCN1Cc1cc(C)ccc1O ZINC001140620027 960465009 /nfs/dbraw/zinc/46/50/09/960465009.db2.gz ZWXMNFIQXMXKOI-NSHDSACASA-N 0 0 235.283 1.448 20 10 BDCDRN Cc1ccc(CN2CCOC(=O)C2)c(O)c1 ZINC001140957998 960760847 /nfs/dbraw/zinc/76/08/47/960760847.db2.gz PFMRZLFMZSXCIL-UHFFFAOYSA-N 0 0 221.256 1.059 20 10 BDCDRN CC1(C)COCCN1Cc1cc(O)ccc1O ZINC001141159857 960894164 /nfs/dbraw/zinc/89/41/64/960894164.db2.gz MWRBOTFEFQTQAU-UHFFFAOYSA-N 0 0 237.299 1.709 20 10 BDCDRN Oc1ccc(O)c(CN(C2CC2)C2COC2)c1 ZINC001141160999 960896026 /nfs/dbraw/zinc/89/60/26/960896026.db2.gz MNRKNUIEMUTELN-UHFFFAOYSA-N 0 0 235.283 1.461 20 10 BDCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])[C@H]1CCOC1 ZINC001142524670 961476415 /nfs/dbraw/zinc/47/64/15/961476415.db2.gz GCAZBEOAZUCPDD-VIFPVBQESA-N 0 0 243.253 1.891 20 10 BDCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1COC1 ZINC001142524952 961482287 /nfs/dbraw/zinc/48/22/87/961482287.db2.gz QWDIDPLVYBYDPZ-UHFFFAOYSA-N 0 0 243.253 1.749 20 10 BDCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)[nH]n1 ZINC001151885676 962353878 /nfs/dbraw/zinc/35/38/78/962353878.db2.gz BRPRWNJTGPWAHY-SECBINFHSA-N 0 0 245.282 1.915 20 10 BDCDRN OCc1ccc(NCc2ccccc2O)nc1 ZINC000686077630 962655519 /nfs/dbraw/zinc/65/55/19/962655519.db2.gz HDXNFYYUBFTXAJ-UHFFFAOYSA-N 0 0 230.267 1.892 20 10 BDCDRN COc1ccc(NCc2ccc(O)c(O)c2)nn1 ZINC001158994559 963969490 /nfs/dbraw/zinc/96/94/90/963969490.db2.gz PIJPLYMBUYIUSF-UHFFFAOYSA-N 0 0 247.254 1.509 20 10 BDCDRN O=C(CNc1ccncn1)c1ccc(O)c(O)c1 ZINC001159272565 964049213 /nfs/dbraw/zinc/04/92/13/964049213.db2.gz PNOOFGAPAGKXCF-UHFFFAOYSA-N 0 0 245.238 1.183 20 10 BDCDRN 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CC1(C)CN(C(=O)Nc2ccc(N)cc2)CCO1 ZINC000036232856 635557341 /nfs/dbraw/zinc/55/73/41/635557341.db2.gz UBXVGUSLXHJYSM-UHFFFAOYSA-N 0 0 249.314 1.912 20 10 BDCDRN Cn1cncc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000291706196 631834481 /nfs/dbraw/zinc/83/44/81/631834481.db2.gz ZKYMABDPXZQQCL-UHFFFAOYSA-N 0 0 235.262 1.555 20 10 BDCDRN COc1ccc(N(C)C[C@H](C)CO)cc1 ZINC000162069756 632507507 /nfs/dbraw/zinc/50/75/07/632507507.db2.gz QRIYJUSJZXVIKO-JTQLQIEISA-N 0 0 209.289 1.760 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CC=CCC1 ZINC000166067619 633106105 /nfs/dbraw/zinc/10/61/05/633106105.db2.gz ABQXYINQLHKZDD-UHFFFAOYSA-N 0 0 219.240 1.500 20 10 BDCDRN O=C([O-])C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000259006169 635233344 /nfs/dbraw/zinc/23/33/44/635233344.db2.gz WXBPOUNZZODJOK-UHFFFAOYSA-N 0 0 247.294 1.576 20 10 BDCDRN COC(=O)C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000900905858 637198219 /nfs/dbraw/zinc/19/82/19/637198219.db2.gz RHZCZGLGTLUALW-LURJTMIESA-N 0 0 243.284 1.135 20 10 BDCDRN 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[O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000165164071 640543575 /nfs/dbraw/zinc/54/35/75/640543575.db2.gz FNWQPGVTVMBCCT-LLVKDONJSA-N 0 0 241.718 1.906 20 10 BDCDRN CN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226586114 640779167 /nfs/dbraw/zinc/77/91/67/640779167.db2.gz IZORPAXLHBLVMK-GFCCVEGCSA-N 0 0 238.306 1.715 20 10 BDCDRN CN(CC(F)F)C(=O)Cc1ccc(N)cc1 ZINC000158020160 640785854 /nfs/dbraw/zinc/78/58/54/640785854.db2.gz DKHFOCZKCTYVQL-UHFFFAOYSA-N 0 0 228.242 1.535 20 10 BDCDRN CN(C)C(=O)CSc1nccs1 ZINC000060760176 640887376 /nfs/dbraw/zinc/88/73/76/640887376.db2.gz GHWDFYGPKVOTFI-UHFFFAOYSA-N 0 0 202.304 1.323 20 10 BDCDRN CN(CCc1ccnn1C)c1ccc(N)cc1 ZINC000230764773 641090800 /nfs/dbraw/zinc/09/08/00/641090800.db2.gz MIKVZGOXRMPLOK-UHFFFAOYSA-N 0 0 230.315 1.681 20 10 BDCDRN CC(C)CNC(=S)NCc1cccn1C ZINC000231647833 641191841 /nfs/dbraw/zinc/19/18/41/641191841.db2.gz DXZDZKPTHUDYJK-UHFFFAOYSA-N 0 0 225.361 1.645 20 10 BDCDRN O=C(NCc1ccc(O)c(O)c1)c1ccncc1 ZINC000159034403 641662157 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242.271 1.037 20 10 BDCDRN CC(=O)C(=O)COC(=O)C=C1CCCCC1 ZINC000808508635 644883407 /nfs/dbraw/zinc/88/34/07/644883407.db2.gz ALSPVKBWUYBECX-UHFFFAOYSA-N 0 0 224.256 1.578 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@H]1CCCCC1(C)C ZINC000808545599 644883750 /nfs/dbraw/zinc/88/37/50/644883750.db2.gz HQTLAKLSEVDIHE-SNVBAGLBSA-N 0 0 240.299 1.904 20 10 BDCDRN CCC[N@H+](CCO)Cc1ccccc1O ZINC000304754399 644930982 /nfs/dbraw/zinc/93/09/82/644930982.db2.gz YUZAJTMSVIPGFN-UHFFFAOYSA-N 0 0 209.289 1.597 20 10 BDCDRN C[C@@H](O)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816569107 644963493 /nfs/dbraw/zinc/96/34/93/644963493.db2.gz ZRBJKPAZEQMINR-SSDOTTSWSA-N 0 0 247.697 1.997 20 10 BDCDRN C[C@H](NC(=O)c1ncn(C)n1)c1ccccc1O ZINC000827964806 645088049 /nfs/dbraw/zinc/08/80/49/645088049.db2.gz WDHWJOZIDUQJSN-QMMMGPOBSA-N 0 0 246.270 1.012 20 10 BDCDRN C[C@H](NC(=O)c1cn(C)nn1)c1ccccc1O ZINC000827964404 645088482 /nfs/dbraw/zinc/08/84/82/645088482.db2.gz NCOGMOKXUQLGEB-QMMMGPOBSA-N 0 0 246.270 1.012 20 10 BDCDRN CC[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703287499 712070497 /nfs/dbraw/zinc/07/04/97/712070497.db2.gz XKGBYORHPFUYHF-MRVPVSSYSA-N 0 0 231.242 1.531 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)COC1CC1 ZINC000716961535 712602034 /nfs/dbraw/zinc/60/20/34/712602034.db2.gz YQOXBJKKYDTSCK-UHFFFAOYSA-N 0 0 235.283 1.530 20 10 BDCDRN N#Cc1cccc(C=C2SC(N)=NC2=O)c1 ZINC000038813246 710720816 /nfs/dbraw/zinc/72/08/16/710720816.db2.gz XBZOVWVWQCIIGI-UITAMQMPSA-N 0 0 229.264 1.487 20 10 BDCDRN C[C@@H]1OCCN(C(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000380584699 712901956 /nfs/dbraw/zinc/90/19/56/712901956.db2.gz ZHTRAVQSTHUXEM-UWVGGRQHSA-N 0 0 249.314 1.910 20 10 BDCDRN CCOC(=O)c1cnc(SCCCO)s1 ZINC000393762717 711172560 /nfs/dbraw/zinc/17/25/60/711172560.db2.gz OOTJLFSJBAFFNN-UHFFFAOYSA-N 0 0 247.341 1.794 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)c1cc[nH]n1 ZINC000394938355 711199980 /nfs/dbraw/zinc/19/99/80/711199980.db2.gz DWYSBYWPFRVVMQ-UHFFFAOYSA-N 0 0 231.255 1.388 20 10 BDCDRN C[C@@H]1CC[C@@H](CNC(=O)Nc2ccc(N)cc2)O1 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BDCDRN CCNC(=S)N1CCc2cccc(O)c2C1 ZINC001195332598 982240737 /nfs/dbraw/zinc/24/07/37/982240737.db2.gz AQOPPIAGDCOYOC-UHFFFAOYSA-N 0 0 236.340 1.645 20 10 BDCDRN CN(Cc1ccon1)Cc1ccc(O)c(O)c1 ZINC001203880590 982574847 /nfs/dbraw/zinc/57/48/47/982574847.db2.gz VTQMOMZOMJAKKW-UHFFFAOYSA-N 0 0 234.255 1.718 20 10 BDCDRN Oc1ccc(CN(C2CC2)C2COC2)cc1O ZINC001203882556 982586998 /nfs/dbraw/zinc/58/69/98/982586998.db2.gz LHCMZPRUOYKEND-UHFFFAOYSA-N 0 0 235.283 1.461 20 10 BDCDRN Cc1nc(N)ncc1-c1nccc2c1ccn2C ZINC001241643238 982880448 /nfs/dbraw/zinc/88/04/48/982880448.db2.gz FYRGYWNCFGSBCZ-UHFFFAOYSA-N 0 0 239.282 1.921 20 10 BDCDRN CC[C@@H](F)C(=O)NCc1ccccc1O ZINC001353616816 982929040 /nfs/dbraw/zinc/92/90/40/982929040.db2.gz CWEHQKMSVFCUBS-SECBINFHSA-N 0 0 211.236 1.757 20 10 BDCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)[nH]n1 ZINC001593738855 983354788 /nfs/dbraw/zinc/35/47/88/983354788.db2.gz ASCOBVRZYYPGMU-UHFFFAOYSA-N 0 0 247.254 1.059 20 10 BDCDRN C[C@]1(NC(=O)NCc2ccc(N)cc2)CCOC1 ZINC001357791579 983780433 /nfs/dbraw/zinc/78/04/33/983780433.db2.gz OCESUZCPKHGICL-ZDUSSCGKSA-N 0 0 249.314 1.247 20 10 BDCDRN Nc1ccc(CC(=O)N[C@H]2C[C@@H]2C2CC2)cc1 ZINC000717105924 983810102 /nfs/dbraw/zinc/81/01/02/983810102.db2.gz RBQXDFQGCQAYRT-OLZOCXBDSA-N 0 0 230.311 1.726 20 10 BDCDRN Cn1ccc2c1ncnc2-c1cncc(N)c1 ZINC001242498420 983818162 /nfs/dbraw/zinc/81/81/62/983818162.db2.gz VTYFDQKSTQBWRE-UHFFFAOYSA-N 0 0 225.255 1.613 20 10 BDCDRN CCNC(=O)NCc1cccc(C)c1O ZINC001202556461 984055053 /nfs/dbraw/zinc/05/50/53/984055053.db2.gz KWWOXHFFLTZRMZ-UHFFFAOYSA-N 0 0 208.261 1.520 20 10 BDCDRN Cc1nc2c(ccn2C)c(-c2cncn2C)n1 ZINC001243065994 984473871 /nfs/dbraw/zinc/47/38/71/984473871.db2.gz VYQWGCNWAJRGOU-UHFFFAOYSA-N 0 0 227.271 1.677 20 10 BDCDRN C[C@H]1CC[C@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001449158249 984830372 /nfs/dbraw/zinc/83/03/72/984830372.db2.gz WOCLKHBNMHXJLU-WCBMZHEXSA-N 0 0 235.283 1.555 20 10 BDCDRN C=C=CCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001450165566 984862133 /nfs/dbraw/zinc/86/21/33/984862133.db2.gz CJVLRWIONPUSGG-ALCCZGGFSA-N 0 0 231.251 1.568 20 10 BDCDRN C[C@@H]1C[C@H](C(=O)NCc2ccccc2O)[C@@H](C)O1 ZINC000686475677 985120297 /nfs/dbraw/zinc/12/02/97/985120297.db2.gz CSVFREBQOGAMAY-FOGDFJRCSA-N 0 0 249.310 1.822 20 10 BDCDRN Cc1nc[nH]c1C(=O)NCc1c(O)cccc1O ZINC001456313833 985134008 /nfs/dbraw/zinc/13/40/08/985134008.db2.gz ILHIKJGQLBJDNL-UHFFFAOYSA-N 0 0 247.254 1.059 20 10 BDCDRN C[NH2+]C[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001578627611 985243977 /nfs/dbraw/zinc/24/39/77/985243977.db2.gz RWSJNMOIQXTMPS-QMMMGPOBSA-N 0 0 244.285 1.616 20 10 BDCDRN CO[C@@]1(C)C[C@H]1NC(=O)NCc1ccc(N)cc1 ZINC001579129755 985807364 /nfs/dbraw/zinc/80/73/64/985807364.db2.gz JJFZOPIKPXVTHI-YPMHNXCESA-N 0 0 249.314 1.245 20 10 BDCDRN COC(=O)N1CCC(Nc2ccc(N)cc2)CC1 ZINC000689497774 986673332 /nfs/dbraw/zinc/67/33/32/986673332.db2.gz YSZNXLJOQXCHKZ-UHFFFAOYSA-N 0 0 249.314 1.912 20 10 BDCDRN O=C(NCc1ccccc1O)[C@@H]1CCC=CO1 ZINC001465990974 986759673 /nfs/dbraw/zinc/75/96/73/986759673.db2.gz ZEJQEXKKLOJJNC-LBPRGKRZSA-N 0 0 233.267 1.701 20 10 BDCDRN CC(C)c1ccc(O)c(CN[C@H]2CCOC2=O)c1 ZINC001474669687 987798179 /nfs/dbraw/zinc/79/81/79/987798179.db2.gz LVYVAVKMZRQHPB-LBPRGKRZSA-N 0 0 249.310 1.921 20 10 BDCDRN O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC001601810912 988890505 /nfs/dbraw/zinc/89/05/05/988890505.db2.gz XDMAMEUYUMKPRR-WDEREUQCSA-N 0 0 235.283 1.735 20 10 BDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NOC1CCC1 ZINC001324684455 988929332 /nfs/dbraw/zinc/92/93/32/988929332.db2.gz BLXUDRDYTQRXIQ-ALCCZGGFSA-N 0 0 249.266 1.711 20 10 BDCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CO ZINC001523560853 989934480 /nfs/dbraw/zinc/93/44/80/989934480.db2.gz WDTKHBYHBYSEFE-UHFFFAOYSA-N 0 0 248.326 1.238 20 10 BDCDRN CC1=NO[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001524018478 989967422 /nfs/dbraw/zinc/96/74/22/989967422.db2.gz LUTTUJUGHXIOLE-LLVKDONJSA-N 0 0 233.271 1.050 20 10 BDCDRN NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001540379927 990613205 /nfs/dbraw/zinc/61/32/05/990613205.db2.gz MDBOPCLNVSCTIG-UHFFFAOYSA-N 0 0 209.226 1.411 20 10 BDCDRN CC1CN(C(=O)Cc2ccc(O)c(O)c2)C1 ZINC001556426962 990827348 /nfs/dbraw/zinc/82/73/48/990827348.db2.gz ISWZTVBBEWZYFK-UHFFFAOYSA-N 0 0 221.256 1.119 20 10 BDCDRN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c([O-])cccc1F ZINC001137831702 990853239 /nfs/dbraw/zinc/85/32/39/990853239.db2.gz KHXLGNSQLNTSPX-ZJUUUORDSA-N 0 0 239.290 1.877 20 10 BDCDRN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c([O-])cccc1F ZINC001137839092 990859151 /nfs/dbraw/zinc/85/91/51/990859151.db2.gz QYVMGINLKCGCEX-VHSXEESVSA-N 0 0 239.290 1.877 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)c1cocn1 ZINC001557084826 990876158 /nfs/dbraw/zinc/87/61/58/990876158.db2.gz PTBHPSFJJMSSRF-UHFFFAOYSA-N 0 0 234.211 1.016 20 10 BDCDRN COC(=O)CC[N@H+](C)Cc1cccc(F)c1[O-] ZINC001138129499 990886780 /nfs/dbraw/zinc/88/67/80/990886780.db2.gz HOVNQLAYTJUDPV-UHFFFAOYSA-N 0 0 241.262 1.526 20 10 BDCDRN O=C(C=C1CCC1)NCc1cc(O)ccc1O ZINC001558175403 990929727 /nfs/dbraw/zinc/92/97/27/990929727.db2.gz PCSQBUCORYCNGB-UHFFFAOYSA-N 0 0 233.267 1.824 20 10 BDCDRN O=C(Cc1ccco1)NCc1c(O)cccc1O ZINC001558533552 990959336 /nfs/dbraw/zinc/95/93/36/990959336.db2.gz GVNBJYCMOZNPMA-UHFFFAOYSA-N 0 0 247.250 1.550 20 10 BDCDRN CC[C@H](CO)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308791891 991136270 /nfs/dbraw/zinc/13/62/70/991136270.db2.gz RSYHNJNYPATORG-SECBINFHSA-N 0 0 245.269 1.873 20 10 BDCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCOCC1 ZINC001139683777 991309750 /nfs/dbraw/zinc/30/97/50/991309750.db2.gz DRWMQDBVWRDKRW-UHFFFAOYSA-N 0 0 243.253 1.893 20 10 BDCDRN C[C@]1(O)CC[N@H+](Cc2c([O-])c(F)ccc2F)C1 ZINC001139681276 991311254 /nfs/dbraw/zinc/31/12/54/991311254.db2.gz OFDMYTASOOHKEB-LBPRGKRZSA-N 0 0 243.253 1.627 20 10 BDCDRN [O-]c1c(F)ccc(F)c1C[N@H+]1CCC[C@@H]1CO ZINC001139680918 991312044 /nfs/dbraw/zinc/31/20/44/991312044.db2.gz FPBLGVPPBKLKOZ-MRVPVSSYSA-N 0 0 243.253 1.627 20 10 BDCDRN CN(C)c1ccc(C[NH2+][C@@H](CF)C(=O)[O-])cc1 ZINC001598320838 991321354 /nfs/dbraw/zinc/32/13/54/991321354.db2.gz VLBGZKODNYIWKK-NSHDSACASA-N 0 0 240.278 1.265 20 10 BDCDRN COC(=O)[C@@H]1CCN1Cc1cc(F)ccc1O ZINC001140057693 991506605 /nfs/dbraw/zinc/50/66/05/991506605.db2.gz KITUBJHDXCWALL-JTQLQIEISA-N 0 0 239.246 1.279 20 10 BDCDRN COC(=O)[C@@H]1CCN1Cc1c(C)ccc(C)c1O ZINC001140178337 991550548 /nfs/dbraw/zinc/55/05/48/991550548.db2.gz IOJTTYLESGRYQK-LBPRGKRZSA-N 0 0 249.310 1.756 20 10 BDCDRN OCC1(F)CN(Cc2c(O)cccc2Cl)C1 ZINC001140337790 991609813 /nfs/dbraw/zinc/60/98/13/991609813.db2.gz FAUITJSWZJQTOA-UHFFFAOYSA-N 0 0 245.681 1.562 20 10 BDCDRN O=C([O-])[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000083407741 991611160 /nfs/dbraw/zinc/61/11/60/991611160.db2.gz RQWLJDVMMWLDEF-LLVKDONJSA-N 0 0 221.256 1.345 20 10 BDCDRN CN(Cc1ccc(Cl)cc1O)C1COC1 ZINC001140466958 991643999 /nfs/dbraw/zinc/64/39/99/991643999.db2.gz NONLLYUZNKHVRS-UHFFFAOYSA-N 0 0 227.691 1.876 20 10 BDCDRN O=C(COC(F)F)NCc1c(O)cccc1F ZINC001262209248 992804166 /nfs/dbraw/zinc/80/41/66/992804166.db2.gz DIYCZASRYQMLBW-UHFFFAOYSA-N 0 0 249.188 1.387 20 10 BDCDRN C[C@H](CN)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001593354403 994991887 /nfs/dbraw/zinc/99/18/87/994991887.db2.gz PBMRYNMFKOHYHY-HTQZYQBOSA-N 0 0 238.287 1.088 20 10 BDCDRN C[C@@H](NC(=O)c1cocn1)c1ccccc1O ZINC001302530355 995121307 /nfs/dbraw/zinc/12/13/07/995121307.db2.gz MJJCDVWHOORUOS-MRVPVSSYSA-N 0 0 232.239 1.871 20 10 BDCDRN Cc1cc(O)cc(C)c1NS(C)(=O)=O ZINC000003471717 178200116 /nfs/dbraw/zinc/20/01/16/178200116.db2.gz IXSSSJWSHZONSP-UHFFFAOYSA-N 0 0 215.274 1.381 20 10 BDCDRN Cc1ccc(C(=O)N[C@H]2CC2(C)C)c(O)c1O ZINC000272760550 178432344 /nfs/dbraw/zinc/43/23/44/178432344.db2.gz LJXIBRABVHXWAX-VIFPVBQESA-N 0 0 235.283 1.935 20 10 BDCDRN Nc1ccc(CCNC(=O)C[C@H]2CCCO2)cc1 ZINC000087206664 398293163 /nfs/dbraw/zinc/29/31/63/398293163.db2.gz YNAIJIRQOMXWDG-CYBMUJFWSA-N 0 0 248.326 1.497 20 10 BDCDRN COC(=O)[C@@H](C)Sc1nccs1 ZINC000047852608 344581932 /nfs/dbraw/zinc/58/19/32/344581932.db2.gz OHXHLRZEVSUXEI-RXMQYKEDSA-N 0 0 203.288 1.797 20 10 BDCDRN COC(=O)[C@H](C)Sc1nccs1 ZINC000047852605 344582072 /nfs/dbraw/zinc/58/20/72/344582072.db2.gz OHXHLRZEVSUXEI-YFKPBYRVSA-N 0 0 203.288 1.797 20 10 BDCDRN Cc1cccc(CN2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282673344 179071673 /nfs/dbraw/zinc/07/16/73/179071673.db2.gz HRMNSMQSCYTNFW-NSHDSACASA-N 0 0 248.326 1.363 20 10 BDCDRN Cc1cccc(CN2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282673331 179072478 /nfs/dbraw/zinc/07/24/78/179072478.db2.gz HRMNSMQSCYTNFW-LLVKDONJSA-N 0 0 248.326 1.363 20 10 BDCDRN CC(C)(CO)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000163728613 191059077 /nfs/dbraw/zinc/05/90/77/191059077.db2.gz ZARVKIFGQFDXDG-UHFFFAOYSA-N 0 0 229.707 1.906 20 10 BDCDRN CCN(CCOCCO)c1ccc(OC)cc1 ZINC000265829005 169871263 /nfs/dbraw/zinc/87/12/63/169871263.db2.gz TZLQGBNJQVFXFL-UHFFFAOYSA-N 0 0 239.315 1.530 20 10 BDCDRN CC(=O)C(=O)CSC1=N[C@H](C)CS1 ZINC000289538020 187695006 /nfs/dbraw/zinc/69/50/06/187695006.db2.gz FGTFYNUAXWJRMD-RXMQYKEDSA-N 0 0 217.315 1.369 20 10 BDCDRN 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CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)[O-] ZINC000820419170 587047437 /nfs/dbraw/zinc/04/74/37/587047437.db2.gz NPDLWPQGACLQKJ-PSASIEDQSA-N 0 0 223.272 1.906 20 10 BDCDRN O=C1CC[C@H](CSc2nccs2)O1 ZINC000821078580 587094382 /nfs/dbraw/zinc/09/43/82/587094382.db2.gz UWLSRJAQWJJLJS-ZCFIWIBFSA-N 0 0 215.299 1.941 20 10 BDCDRN Cc1cccc(C[N@@H+](CC(=O)[O-])C(C)C)c1O ZINC000821111969 587096687 /nfs/dbraw/zinc/09/66/87/587096687.db2.gz DIZUOGSECSWSHG-UHFFFAOYSA-N 0 0 237.299 1.996 20 10 BDCDRN O=C(NCc1ccccc1O)C12CC(C1)C2 ZINC000860233378 589090941 /nfs/dbraw/zinc/09/09/41/589090941.db2.gz KWEODQUJQSQFTE-UHFFFAOYSA-N 0 0 217.268 1.809 20 10 BDCDRN O=C(NCc1ccccc1O)N[C@H]1CC12CC2 ZINC000823872973 587245116 /nfs/dbraw/zinc/24/51/16/587245116.db2.gz IRMXEWLQJLLDDU-NSHDSACASA-N 0 0 232.283 1.744 20 10 BDCDRN COc1cccc(O)c1CNC(CF)CF ZINC000824555096 587275869 /nfs/dbraw/zinc/27/58/69/587275869.db2.gz PWAOELBHWDYTNE-UHFFFAOYSA-N 0 0 231.242 1.798 20 10 BDCDRN COc1cccc(CN(C)Cc2c[nH]cn2)c1O 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BDCDRN C[C@H]1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CO1 ZINC000871204600 589745410 /nfs/dbraw/zinc/74/54/10/589745410.db2.gz MHMCELWNAUSWLU-GXSJLCMTSA-N 0 0 247.294 1.659 20 10 BDCDRN CC(C)(O)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205416 589745470 /nfs/dbraw/zinc/74/54/70/589745470.db2.gz ZVTJWJHQTJZQMQ-UHFFFAOYSA-N 0 0 221.256 1.005 20 10 BDCDRN COC/C(C)=C\C(=O)N1Cc2cccc(O)c2C1 ZINC000871205889 589745568 /nfs/dbraw/zinc/74/55/68/589745568.db2.gz MZJFQLMVBKYEMX-POHAHGRESA-N 0 0 247.294 1.827 20 10 BDCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C2)cc1 ZINC000873829765 590073586 /nfs/dbraw/zinc/07/35/86/590073586.db2.gz XCNXXVOEMBXYRT-BJHJDKERSA-N 0 0 248.326 1.140 20 10 BDCDRN O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000874047147 590087445 /nfs/dbraw/zinc/08/74/45/590087445.db2.gz QSHNWYKAVXDBSR-TXEJJXNPSA-N 0 0 247.294 1.574 20 10 BDCDRN CC[C@@]1(C(=O)Nc2ccc(N)cc2)CCNC1=O ZINC000876504263 590203958 /nfs/dbraw/zinc/20/39/58/590203958.db2.gz LDIDMAPUXNFOLD-CYBMUJFWSA-N 0 0 247.298 1.124 20 10 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[O-]c1c(F)cc(F)cc1C[NH2+][C@@H](CO)CCF ZINC000883158559 591555543 /nfs/dbraw/zinc/55/55/43/591555543.db2.gz KRHDVRKFHIVIAH-SECBINFHSA-N 0 0 249.232 1.481 20 10 BDCDRN Nc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000132000461 591682648 /nfs/dbraw/zinc/68/26/48/591682648.db2.gz ACLAIEMJNLMQJY-UPJWGTAASA-N 0 0 246.310 1.247 20 10 BDCDRN C[C@H]([NH2+]CCN(C)C)c1c([O-])cccc1F ZINC000886608899 592273745 /nfs/dbraw/zinc/27/37/45/592273745.db2.gz HXODKUUYGCNURP-VIFPVBQESA-N 0 0 226.295 1.744 20 10 BDCDRN COC[C@@H](O)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886607306 592274566 /nfs/dbraw/zinc/27/45/66/592274566.db2.gz OZQMYZNOVADCFP-IUCAKERBSA-N 0 0 243.278 1.189 20 10 BDCDRN CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000043431330 598193858 /nfs/dbraw/zinc/19/38/58/598193858.db2.gz LFSQKJCPABNEQC-CYBMUJFWSA-N 0 0 249.310 1.820 20 10 BDCDRN Cc1cccc(C[NH2+][C@H](C)C(=O)[O-])c1O ZINC000165157712 598198114 /nfs/dbraw/zinc/19/81/14/598198114.db2.gz VDOSDVIIBBZVTJ-MRVPVSSYSA-N 0 0 209.245 1.263 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[O-]c1c(F)cccc1C[N@H+]1CCCC[C@H]1CO ZINC001138122527 990885052 /nfs/dbraw/zinc/88/50/52/990885052.db2.gz LAJRMMSDSXDMQT-NSHDSACASA-N 0 0 239.290 1.878 20 10 BDCDRN O=C(Cc1ccc(O)c(O)c1)N(C1CC1)C1CC1 ZINC001557544373 990896164 /nfs/dbraw/zinc/89/61/64/990896164.db2.gz KCVPETVHSSNACE-UHFFFAOYSA-N 0 0 247.294 1.794 20 10 BDCDRN O=C(c1cnccn1)N1Cc2cccc(O)c2C1 ZINC001558035469 990920606 /nfs/dbraw/zinc/92/06/06/990920606.db2.gz HWZKUYNDECVJHZ-UHFFFAOYSA-N 0 0 241.250 1.338 20 10 BDCDRN Cn1cnc(C(=O)NCc2c(O)cccc2F)c1 ZINC001558455490 990945627 /nfs/dbraw/zinc/94/56/27/990945627.db2.gz VFTFTURCTSPUTO-UHFFFAOYSA-N 0 0 249.245 1.195 20 10 BDCDRN Cc1c[nH]c(CN2CCc3cccc(O)c3C2)n1 ZINC001138938555 991110699 /nfs/dbraw/zinc/11/06/99/991110699.db2.gz WPJZAWZHOJJWGJ-UHFFFAOYSA-N 0 0 243.310 1.982 20 10 BDCDRN Cc1cc(CN2CCOC(=O)C2)ccc1N(C)C ZINC001139674168 991310166 /nfs/dbraw/zinc/31/01/66/991310166.db2.gz SLRGFYPTOXPOOO-UHFFFAOYSA-N 0 0 248.326 1.420 20 10 BDCDRN COC[C@@H]1CC[N@@H+]1Cc1c(F)ccc(F)c1[O-] 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/nfs/dbraw/zinc/35/03/68/590350368.db2.gz UVRUYDAYRYOFOX-NSHDSACASA-N 0 0 246.314 1.725 20 10 BDCDRN CCOc1ccc(CN2CC(C)(O)C2)c(O)c1 ZINC000877581115 590365834 /nfs/dbraw/zinc/36/58/34/590365834.db2.gz OCLIVBREHUVDLW-UHFFFAOYSA-N 0 0 237.299 1.358 20 10 BDCDRN Cc1ccc(CN2Cc3cnn(C)c3C2)c(O)c1 ZINC000877632599 590379051 /nfs/dbraw/zinc/37/90/51/590379051.db2.gz GULPNMPXCVLOBD-UHFFFAOYSA-N 0 0 243.310 1.950 20 10 BDCDRN C[C@@H](N[C@@H](C)c1nnnn1C)c1ccccc1O ZINC000879649482 590842139 /nfs/dbraw/zinc/84/21/39/590842139.db2.gz UMHUCJBMZLQTHT-BDAKNGLRSA-N 0 0 247.302 1.328 20 10 BDCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](CF)C1 ZINC000881669329 591262858 /nfs/dbraw/zinc/26/28/58/591262858.db2.gz UDDFBHWLMKXXJX-ZETCQYMHSA-N 0 0 229.276 1.885 20 10 BDCDRN COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000131191501 591566192 /nfs/dbraw/zinc/56/61/92/591566192.db2.gz NPVIULSMWWYILP-VHSXEESVSA-N 0 0 237.299 1.840 20 10 BDCDRN O=C(CCn1cccn1)NCc1ccccc1O ZINC000133936326 591871096 /nfs/dbraw/zinc/87/10/96/591871096.db2.gz YOBYKDJLYZQRSU-UHFFFAOYSA-N 0 0 245.282 1.295 20 10 BDCDRN C[C@@H]([NH2+]C[C@H](C)O)c1cc(F)cc(F)c1[O-] ZINC000134899880 591957971 /nfs/dbraw/zinc/95/79/71/591957971.db2.gz OCEFYCUWARQNOH-NKWVEPMBSA-N 0 0 231.242 1.702 20 10 BDCDRN CC(=O)C(=O)COC(=O)c1c[nH]cc1C1CC1 ZINC000885171202 592056221 /nfs/dbraw/zinc/05/62/21/592056221.db2.gz GSSDOTIPSLSLQH-UHFFFAOYSA-N 0 0 235.239 1.207 20 10 BDCDRN Cc1nc(C)c(C(=O)NCc2ccccc2O)o1 ZINC000135839230 592059793 /nfs/dbraw/zinc/05/97/93/592059793.db2.gz LXQYIVJTDZFNDO-UHFFFAOYSA-N 0 0 246.266 1.927 20 10 BDCDRN C[C@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000136334899 592107631 /nfs/dbraw/zinc/10/76/31/592107631.db2.gz SKJBFURHGSNPQI-WCBMZHEXSA-N 0 0 205.257 1.664 20 10 BDCDRN C[C@@H]([NH2+]CCCO)c1c([O-])cccc1F ZINC000886489883 592235896 /nfs/dbraw/zinc/23/58/96/592235896.db2.gz UEBCKCWMPMJWJC-MRVPVSSYSA-N 0 0 213.252 1.564 20 10 BDCDRN C[C@H]([NH2+]CCCCO)c1c([O-])cccc1F ZINC000886601108 592272489 /nfs/dbraw/zinc/27/24/89/592272489.db2.gz JZEJGFWCZOWVEP-VIFPVBQESA-N 0 0 227.279 1.954 20 10 BDCDRN Cc1ccc(O)c(C[NH2+]CCC(=O)[O-])c1 ZINC000070955128 597134912 /nfs/dbraw/zinc/13/49/12/597134912.db2.gz XZEYGFQTRGVYJQ-UHFFFAOYSA-N 0 0 209.245 1.265 20 10 BDCDRN C[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)ccc1O ZINC000083406651 598130734 /nfs/dbraw/zinc/13/07/34/598130734.db2.gz BWPCQJHBWTYUQV-ZETCQYMHSA-N 0 0 243.690 1.951 20 10 BDCDRN COc1ccc(C[NH2+]CCNC(=O)[O-])cc1C ZINC000739904425 602055551 /nfs/dbraw/zinc/05/55/51/602055551.db2.gz UUVKMOBYTFUYEC-UHFFFAOYSA-N 0 0 238.287 1.361 20 10 BDCDRN CON(C)C(=O)CSc1nccs1 ZINC000308287268 631266912 /nfs/dbraw/zinc/26/69/12/631266912.db2.gz CKDQNMPEIDZYED-UHFFFAOYSA-N 0 0 218.303 1.255 20 10 BDCDRN COC[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000095033744 631585164 /nfs/dbraw/zinc/58/51/64/631585164.db2.gz YTSRVOOAJCTXNS-SNVBAGLBSA-N 0 0 236.315 1.904 20 10 BDCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)on1 ZINC000107758929 633102649 /nfs/dbraw/zinc/10/26/49/633102649.db2.gz SNJRIKCFOWEWBL-UHFFFAOYSA-N 0 0 246.266 1.961 20 10 BDCDRN C[C@@H](O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000304142672 636319624 /nfs/dbraw/zinc/31/96/24/636319624.db2.gz VVOLBZWMPCZCED-MRVPVSSYSA-N 0 0 240.259 1.161 20 10 BDCDRN CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000322803386 636880989 /nfs/dbraw/zinc/88/09/89/636880989.db2.gz RBGVDAMXOJVPJO-MWLCHTKSSA-N 0 0 248.326 1.494 20 10 BDCDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc(O)c1O ZINC000787717543 636929615 /nfs/dbraw/zinc/92/96/15/636929615.db2.gz AWTDALHQNQLOAY-AKZRSSKFSA-N 0 0 233.267 1.626 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC000910073752 639366295 /nfs/dbraw/zinc/36/62/95/639366295.db2.gz BKBXEUWTBYGNOG-DMLMCSCLSA-N 0 0 238.283 1.370 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC000910073753 639366624 /nfs/dbraw/zinc/36/66/24/639366624.db2.gz BKBXEUWTBYGNOG-GRLWKWRFSA-N 0 0 238.283 1.370 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000910213926 639391544 /nfs/dbraw/zinc/39/15/44/639391544.db2.gz GVHZLSOFMYSPLZ-GARJFASQSA-N 0 0 238.283 1.514 20 10 BDCDRN CCCCC(=O)NCc1ccc(O)cc1O ZINC000910952508 639542243 /nfs/dbraw/zinc/54/22/43/639542243.db2.gz WFESUNPRESRXLJ-UHFFFAOYSA-N 0 0 223.272 1.904 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)CCF)c1 ZINC000913000066 640270368 /nfs/dbraw/zinc/27/03/68/640270368.db2.gz CISYGZUHQHLLOY-UHFFFAOYSA-N 0 0 211.236 1.676 20 10 BDCDRN Nc1ccc(NC(=O)NCC[C@H]2CCCO2)cc1 ZINC000044511037 640387718 /nfs/dbraw/zinc/38/77/18/640387718.db2.gz PMDMKZDWQVQYRV-GFCCVEGCSA-N 0 0 249.314 1.959 20 10 BDCDRN O=C(Nc1ccc(=O)[nH]c1)c1cccc(O)c1O ZINC000311170028 640780378 /nfs/dbraw/zinc/78/03/78/640780378.db2.gz SDUVHHHYQXJSOV-UHFFFAOYSA-N 0 0 246.222 1.451 20 10 BDCDRN Nc1ccc(NC(=O)c2cnsn2)cc1 ZINC000059974213 640841543 /nfs/dbraw/zinc/84/15/43/640841543.db2.gz UQMHGKJHNGKSSD-UHFFFAOYSA-N 0 0 220.257 1.373 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CCC(F)(F)C1 ZINC000313309031 641555421 /nfs/dbraw/zinc/55/54/21/641555421.db2.gz BGDKAQBEWMHBPD-UHFFFAOYSA-N 0 0 243.209 1.579 20 10 BDCDRN CC[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000158929782 641658231 /nfs/dbraw/zinc/65/82/31/641658231.db2.gz ZRQNYMYHLHMDJR-MRVPVSSYSA-N 0 0 223.272 1.760 20 10 BDCDRN C[C@@H](Sc1nccs1)C(=O)NC1CC1 ZINC000048874444 641704486 /nfs/dbraw/zinc/70/44/86/641704486.db2.gz UAQQDMCGWRKFOK-ZCFIWIBFSA-N 0 0 228.342 1.902 20 10 BDCDRN O=C(OC[C@@H]1CCCO1)C1=CC(=O)CS1 ZINC000732352610 641832044 /nfs/dbraw/zinc/83/20/44/641832044.db2.gz AGDISQSJGIPZPD-QMMMGPOBSA-N 0 0 228.269 1.790 20 10 BDCDRN CC[C@@H]1COCCN1C(=O)Nc1ccc(N)cc1 ZINC000036327614 643148405 /nfs/dbraw/zinc/14/84/05/643148405.db2.gz NMAVTSGBSQGEHC-GFCCVEGCSA-N 0 0 249.314 1.912 20 10 BDCDRN C[C@@H]1C[C@H]1NC(=O)NCc1c(O)cccc1F ZINC000922397118 643987151 /nfs/dbraw/zinc/98/71/51/643987151.db2.gz LQOADKYFJIBNLO-GMSGAONNSA-N 0 0 238.262 1.739 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@@H]1CCC=CCCC1 ZINC000923034480 644243898 /nfs/dbraw/zinc/24/38/98/644243898.db2.gz CGRBPEJCSYDROI-LLVKDONJSA-N 0 0 238.283 1.824 20 10 BDCDRN COCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000081717727 644339708 /nfs/dbraw/zinc/33/97/08/644339708.db2.gz JIDMIOKJBWLBBL-SECBINFHSA-N 0 0 237.303 1.815 20 10 BDCDRN CC(=O)C(=O)CSc1ncccc1Cl ZINC000808020152 644869853 /nfs/dbraw/zinc/86/98/53/644869853.db2.gz AJLXDVOCEHIJSZ-UHFFFAOYSA-N 0 0 229.688 1.985 20 10 BDCDRN CC(=O)C(=O)COC(=O)/C=C(/C)C1CC1 ZINC000808506451 644882903 /nfs/dbraw/zinc/88/29/03/644882903.db2.gz LPQYEXUWFBIAKS-ALCCZGGFSA-N 0 0 210.229 1.044 20 10 BDCDRN CCC(CC)C(=O)OCC(=O)C(C)=O ZINC000808504801 644882959 /nfs/dbraw/zinc/88/29/59/644882959.db2.gz LSPLSKRKNAHJDB-UHFFFAOYSA-N 0 0 200.234 1.124 20 10 BDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC23CC3)c1 ZINC000817550453 644987690 /nfs/dbraw/zinc/98/76/90/644987690.db2.gz UXMUFZGMNFMNFH-LLVKDONJSA-N 0 0 247.294 1.817 20 10 BDCDRN C[C@H](NC(=O)C(C)(C)O)c1ccccc1O ZINC000827968879 645089272 /nfs/dbraw/zinc/08/92/72/645089272.db2.gz BQSYUMSZNLVPNU-QMMMGPOBSA-N 0 0 223.272 1.340 20 10 BDCDRN C[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1ccccc1O ZINC000827969220 645090232 /nfs/dbraw/zinc/09/02/32/645090232.db2.gz KONAMBMXTCCMEZ-VWYCJHECSA-N 0 0 249.310 1.994 20 10 BDCDRN C[C@@H]1COC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000928909397 645889667 /nfs/dbraw/zinc/88/96/67/645889667.db2.gz DWTDRCJRHHMDAL-HTRCEHHLSA-N 0 0 227.285 1.218 20 10 BDCDRN CC(=O)C(=O)COC(=O)C[C@H]1CCCC1(F)F ZINC000924335156 646019912 /nfs/dbraw/zinc/01/99/12/646019912.db2.gz HYXJAJNFFPBRBX-MRVPVSSYSA-N 0 0 248.225 1.513 20 10 BDCDRN CC(C)[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703230230 712068801 /nfs/dbraw/zinc/06/88/01/712068801.db2.gz QMXPTDSWHNQKHD-SNVBAGLBSA-N 0 0 245.269 1.777 20 10 BDCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@H](C)O ZINC000703339201 712072863 /nfs/dbraw/zinc/07/28/63/712072863.db2.gz BPNFIJINDKGKAZ-XVKPBYJWSA-N 0 0 245.269 1.919 20 10 BDCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCOC1 ZINC000703489204 712077583 /nfs/dbraw/zinc/07/75/83/712077583.db2.gz FBWFJXAHXVHPMC-VIFPVBQESA-N 0 0 243.253 1.891 20 10 BDCDRN COC[C@H](CN(C)c1ccc(N)cc1)OC ZINC000709887816 712230898 /nfs/dbraw/zinc/23/08/98/712230898.db2.gz IRVDXTNPZLFJFJ-LBPRGKRZSA-N 0 0 224.304 1.366 20 10 BDCDRN Cc1ocnc1CNC(=O)c1cccc(O)c1O ZINC000398389640 711409770 /nfs/dbraw/zinc/40/97/70/711409770.db2.gz WJXDVFDZHMWPCM-UHFFFAOYSA-N 0 0 248.238 1.324 20 10 BDCDRN CCN(CC(F)F)C(=O)Cc1ccc(N)cc1 ZINC000386003876 711021263 /nfs/dbraw/zinc/02/12/63/711021263.db2.gz FHCLIQMFOAEJJZ-UHFFFAOYSA-N 0 0 242.269 1.925 20 10 BDCDRN C[C@@H](NCc1cnn(C)n1)c1ccccc1O ZINC000389821220 711091106 /nfs/dbraw/zinc/09/11/06/711091106.db2.gz FARNCCKCLCVABM-SECBINFHSA-N 0 0 232.287 1.372 20 10 BDCDRN C[C@@H](NCc1cn[nH]n1)c1ccc(N(C)C)cc1 ZINC000398339439 711407895 /nfs/dbraw/zinc/40/78/95/711407895.db2.gz MHCPTCLRCJHTCD-SNVBAGLBSA-N 0 0 245.330 1.722 20 10 BDCDRN CO[C@H]1CC[C@@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000724184269 711566964 /nfs/dbraw/zinc/56/69/64/711566964.db2.gz QZPZQNMGFLZWDO-RYUDHWBXSA-N 0 0 249.314 1.910 20 10 BDCDRN O=C(OCCOC1CC1)c1cccc(O)c1O ZINC000922620770 711974587 /nfs/dbraw/zinc/97/45/87/711974587.db2.gz XQXBBQZNUWEJLG-UHFFFAOYSA-N 0 0 238.239 1.434 20 10 BDCDRN CCC(F)(F)CNC(=O)c1cccc(O)c1O ZINC000700433993 711993900 /nfs/dbraw/zinc/99/39/00/711993900.db2.gz GKFPEKKCGURVFJ-UHFFFAOYSA-N 0 0 245.225 1.873 20 10 BDCDRN O=C(NCc1ccccc1O)c1ncccc1O ZINC000701158821 712017144 /nfs/dbraw/zinc/01/71/44/712017144.db2.gz YDCCEQIXTZRYQQ-UHFFFAOYSA-N 0 0 244.250 1.423 20 10 BDCDRN C[C@@H](CC(N)=O)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703214989 712068495 /nfs/dbraw/zinc/06/84/95/712068495.db2.gz QAFGYINTWVUJRE-LURJTMIESA-N 0 0 244.241 1.024 20 10 BDCDRN COC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703286849 712069291 /nfs/dbraw/zinc/06/92/91/712069291.db2.gz ROILWCUKAJAELR-SSDOTTSWSA-N 0 0 231.242 1.795 20 10 BDCDRN COCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703285849 712069408 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/nfs/dbraw/zinc/64/31/82/585643182.db2.gz AGNRDPXMSRUDGT-TYRPZCRBSA-N 0 0 235.283 1.721 20 10 BDCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnoc1 ZINC000779507708 585755941 /nfs/dbraw/zinc/75/59/41/585755941.db2.gz DNYRBJYQMYFEGX-RQOWECAXSA-N 0 0 246.222 1.738 20 10 BDCDRN Cc1ccc(C(=O)NCc2cocn2)c(O)c1O ZINC000780931819 585786646 /nfs/dbraw/zinc/78/66/46/585786646.db2.gz DRMQMBRXPVJTRS-UHFFFAOYSA-N 0 0 248.238 1.324 20 10 BDCDRN CN(Cc1ccccc1O)c1nccc(CO)n1 ZINC000786793631 585897248 /nfs/dbraw/zinc/89/72/48/585897248.db2.gz POBHTGFPBPGJBO-UHFFFAOYSA-N 0 0 245.282 1.311 20 10 BDCDRN O=C(NCCCF)c1c(F)ccc(O)c1O ZINC000789996803 585955744 /nfs/dbraw/zinc/95/57/44/585955744.db2.gz SIDQDHXABKLUIL-UHFFFAOYSA-N 0 0 231.198 1.326 20 10 BDCDRN CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000790236537 585961700 /nfs/dbraw/zinc/96/17/00/585961700.db2.gz HHEPTPUUILTPST-GQCTYLIASA-N 0 0 247.294 1.979 20 10 BDCDRN COC(=O)[C@H](C)NCc1cc(C)c(C)cc1O ZINC000793184973 586013454 /nfs/dbraw/zinc/01/34/54/586013454.db2.gz 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CC(=O)C(=O)COC(=O)C[C@H]1CCC[C@@H]1C ZINC000808537000 586477706 /nfs/dbraw/zinc/47/77/06/586477706.db2.gz GTDZEBGHBPRPMF-WCBMZHEXSA-N 0 0 226.272 1.514 20 10 BDCDRN CC(=O)C(=O)COC(=O)C1CCC(C)(C)CC1 ZINC000808528011 586477768 /nfs/dbraw/zinc/47/77/68/586477768.db2.gz UFORUHIQAJCTJT-UHFFFAOYSA-N 0 0 240.299 1.904 20 10 BDCDRN CC(=O)C(=O)COC(=O)c1cccc(O)c1C ZINC000808530940 586477990 /nfs/dbraw/zinc/47/79/90/586477990.db2.gz HNWJJRDDERLHKD-UHFFFAOYSA-N 0 0 236.223 1.016 20 10 BDCDRN CC(=O)C(=O)COC(=O)Cc1ccsc1C ZINC000808540368 586478443 /nfs/dbraw/zinc/47/84/43/586478443.db2.gz UGIMXKCCQHUGEO-UHFFFAOYSA-N 0 0 240.280 1.300 20 10 BDCDRN CC(=O)C(=O)COC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000808538418 586478616 /nfs/dbraw/zinc/47/86/16/586478616.db2.gz QXAFPBYYRDNIIX-BXKDBHETSA-N 0 0 226.272 1.370 20 10 BDCDRN CCCCS[C@@H](C)C(=O)OCC(=O)C(C)=O ZINC000808543532 586478927 /nfs/dbraw/zinc/47/89/27/586478927.db2.gz IXLKBWZTCMIOMQ-VIFPVBQESA-N 0 0 246.328 1.610 20 10 BDCDRN Cc1nonc1CNCc1cc(C)c(C)cc1O ZINC000809743353 586516197 /nfs/dbraw/zinc/51/61/97/586516197.db2.gz YESIURKDKUSWPP-UHFFFAOYSA-N 0 0 247.298 1.990 20 10 BDCDRN CCOc1ccc(CNc2cn(C)nn2)c(O)c1 ZINC000812345690 586574508 /nfs/dbraw/zinc/57/45/08/586574508.db2.gz JMTKOIZAZOGVRR-UHFFFAOYSA-N 0 0 248.286 1.532 20 10 BDCDRN O=C(NCCCCF)C1=CC(=O)CS1 ZINC000812611522 586580442 /nfs/dbraw/zinc/58/04/42/586580442.db2.gz OTCGPDRZKUIUJG-UHFFFAOYSA-N 0 0 217.265 1.933 20 10 BDCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H]1CCOC1 ZINC000812725557 586583409 /nfs/dbraw/zinc/58/34/09/586583409.db2.gz FVNGOLCJRYCKRA-QMMMGPOBSA-N 0 0 241.312 1.705 20 10 BDCDRN O=C(NOC1CCC1)C1=CC(=O)CS1 ZINC000812792099 586585515 /nfs/dbraw/zinc/58/55/15/586585515.db2.gz LEZOSBSUQJVBFE-UHFFFAOYSA-N 0 0 213.258 1.668 20 10 BDCDRN Cc1cnc(C(=O)N(C)Cc2ccccc2O)o1 ZINC000813805132 586606540 /nfs/dbraw/zinc/60/65/40/586606540.db2.gz AIWMJZAENRKKJW-UHFFFAOYSA-N 0 0 246.266 1.961 20 10 BDCDRN CC[NH2+]CCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817952809 586848784 /nfs/dbraw/zinc/84/87/84/586848784.db2.gz UFYPZYLYJSGDOK-MRVPVSSYSA-N 0 0 244.285 1.931 20 10 BDCDRN COc1ccc(N2CC[C@H](CNC(N)=O)C2)cc1 ZINC000818048167 586867162 /nfs/dbraw/zinc/86/71/62/586867162.db2.gz MYMWDLJFHVKTTI-SNVBAGLBSA-N 0 0 249.314 1.190 20 10 BDCDRN COc1ccc(N2CC[C@@H](CNC(N)=O)C2)cc1 ZINC000818048163 586867346 /nfs/dbraw/zinc/86/73/46/586867346.db2.gz MYMWDLJFHVKTTI-JTQLQIEISA-N 0 0 249.314 1.190 20 10 BDCDRN O=C(N[C@H]1CC12CC2)c1c(F)ccc(O)c1O ZINC000822407783 587166646 /nfs/dbraw/zinc/16/66/46/587166646.db2.gz PGMXZGPSRKRULW-QMMMGPOBSA-N 0 0 237.230 1.519 20 10 BDCDRN CN1C[C@@H]2CCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000822521110 587172712 /nfs/dbraw/zinc/17/27/12/587172712.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 0 0 246.354 1.918 20 10 BDCDRN CCOc1ccc(N(C)CC[S@](C)=O)cc1 ZINC000827872630 587406050 /nfs/dbraw/zinc/40/60/50/587406050.db2.gz FARGVXWUAJJKGD-INIZCTEOSA-N 0 0 241.356 1.900 20 10 BDCDRN C[C@@H](NC(=O)[C@@H](O)C1CCC1)c1ccccc1O ZINC000827951967 587412716 /nfs/dbraw/zinc/41/27/16/587412716.db2.gz AYFPGPGIHXBRSQ-RNCFNFMXSA-N 0 0 249.310 1.730 20 10 BDCDRN COC1(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827952423 587413082 /nfs/dbraw/zinc/41/30/82/587413082.db2.gz RQTNUKGKOIQIQQ-SECBINFHSA-N 0 0 235.283 1.748 20 10 BDCDRN CC1=NO[C@@H](C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000827963965 587413757 /nfs/dbraw/zinc/41/37/57/587413757.db2.gz FNSDGPYNVXWEON-JOYOIKCWSA-N 0 0 248.282 1.734 20 10 BDCDRN CCOCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978025 587414528 /nfs/dbraw/zinc/41/45/28/587414528.db2.gz GTEGDLXPKKBHNO-JTQLQIEISA-N 0 0 237.299 1.996 20 10 BDCDRN CC[C@](C)(O)C(=O)N1Cc2cccc(O)c2C1 ZINC000828326893 587434813 /nfs/dbraw/zinc/43/48/13/587434813.db2.gz LQIKASWATBUQNH-ZDUSSCGKSA-N 0 0 235.283 1.395 20 10 BDCDRN CC(C)[C@H]([NH2+]Cc1ccccc1O)C(=O)[O-] ZINC000000019039 587483154 /nfs/dbraw/zinc/48/31/54/587483154.db2.gz CNFJXXOHJSQWDI-NSHDSACASA-N 0 0 223.272 1.591 20 10 BDCDRN CC1=NO[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000830526268 587556139 /nfs/dbraw/zinc/55/61/39/587556139.db2.gz HNBORUQJERNMJJ-LLVKDONJSA-N 0 0 234.255 1.173 20 10 BDCDRN CCOC1(C(=O)NCc2ccccc2O)CCC1 ZINC000830526961 587556199 /nfs/dbraw/zinc/55/61/99/587556199.db2.gz UBDCFCYCOMOYFR-UHFFFAOYSA-N 0 0 249.310 1.968 20 10 BDCDRN CCC(=O)CNC(=O)C1=CC(=O)CS1 ZINC000831453431 587608532 /nfs/dbraw/zinc/60/85/32/587608532.db2.gz GURDPMARNPGFMF-UHFFFAOYSA-N 0 0 213.258 1.163 20 10 BDCDRN O=C(c1cccc(O)c1O)N1OC2CCC1CC2 ZINC000831509006 587615435 /nfs/dbraw/zinc/61/54/35/587615435.db2.gz DBDKSEIMSGCCDU-UHFFFAOYSA-N 0 0 249.266 1.796 20 10 BDCDRN C[C@H](O)C(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000831524643 587616719 /nfs/dbraw/zinc/61/67/19/587616719.db2.gz KKZPRMHGWSHVOU-LURJTMIESA-N 0 0 229.301 1.343 20 10 BDCDRN C[C@H](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000833221150 587702917 /nfs/dbraw/zinc/70/29/17/587702917.db2.gz DRHXKIJRXFXEOT-QMMMGPOBSA-N 0 0 243.328 1.592 20 10 BDCDRN CC1(OCC(=O)NCc2ccc(N)cc2)CCC1 ZINC000837302829 587864350 /nfs/dbraw/zinc/86/43/50/587864350.db2.gz ISFLUUHRZGFNHR-UHFFFAOYSA-N 0 0 248.326 1.844 20 10 BDCDRN Cc1cc(N(C)C)ccc1C[NH+]1CC(CCO)C1 ZINC000840952897 587931619 /nfs/dbraw/zinc/93/16/19/587931619.db2.gz ITENSVZKDASEQP-UHFFFAOYSA-N 0 0 248.370 1.875 20 10 BDCDRN CC(C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000840999917 587934092 /nfs/dbraw/zinc/93/40/92/587934092.db2.gz NPXVNMSOWSLEJQ-UHFFFAOYSA-N 0 0 249.314 1.370 20 10 BDCDRN NC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841029677 587936147 /nfs/dbraw/zinc/93/61/47/587936147.db2.gz YDXTWMFSLHUHNI-NSHDSACASA-N 0 0 240.734 1.873 20 10 BDCDRN COc1cccc(O)c1CNC[C@H]1CCC[NH2+]1 ZINC000841036605 587937779 /nfs/dbraw/zinc/93/77/79/587937779.db2.gz SLRVWECWYWRRON-SNVBAGLBSA-N 0 0 236.315 1.242 20 10 BDCDRN CC[NH2+]CCNCc1c(O)cccc1OC ZINC000841037224 587938157 /nfs/dbraw/zinc/93/81/57/587938157.db2.gz RALYKLNOUNYZNL-UHFFFAOYSA-N 0 0 224.304 1.100 20 10 BDCDRN CC[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841299213 587950461 /nfs/dbraw/zinc/95/04/61/587950461.db2.gz WUJSGVITGDNQJD-NEPJUHHUSA-N 0 0 249.314 1.958 20 10 BDCDRN C/C=C/C[C@@H](CO)NC(=O)Nc1ccc(N)cc1 ZINC000841296480 587950515 /nfs/dbraw/zinc/95/05/15/587950515.db2.gz TYDMDWDAYMWRKU-JDGPPOGSSA-N 0 0 249.314 1.717 20 10 BDCDRN CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(N)cc2)C1 ZINC000841299323 587950710 /nfs/dbraw/zinc/95/07/10/587950710.db2.gz JIQWAKIPKBCJTL-TXEJJXNPSA-N 0 0 249.314 1.910 20 10 BDCDRN Nc1ccc(CCNC(=O)NCC2CCC2)cc1 ZINC000841706105 587972438 /nfs/dbraw/zinc/97/24/38/587972438.db2.gz CATQDOKASHBRMY-UHFFFAOYSA-N 0 0 247.342 1.911 20 10 BDCDRN Nc1ccc(CCNC(=O)N2CC=CCC2)cc1 ZINC000841956400 587986975 /nfs/dbraw/zinc/98/69/75/587986975.db2.gz AMONCJZUNAGJFJ-UHFFFAOYSA-N 0 0 245.326 1.783 20 10 BDCDRN Cc1cc(O)c(CN2CN(C)C(=O)[C@H]2C)cc1C ZINC000842642041 588047961 /nfs/dbraw/zinc/04/79/61/588047961.db2.gz QJZFNPSHHUPTLD-LLVKDONJSA-N 0 0 248.326 1.629 20 10 BDCDRN CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000843038305 588075375 /nfs/dbraw/zinc/07/53/75/588075375.db2.gz GGUIOSZPTNEKSY-VIFPVBQESA-N 0 0 243.690 1.998 20 10 BDCDRN CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(=O)[O-] ZINC000843038453 588075592 /nfs/dbraw/zinc/07/55/92/588075592.db2.gz HRXSEXBHHOROHJ-NSHDSACASA-N 0 0 237.299 1.956 20 10 BDCDRN COCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160359 588088391 /nfs/dbraw/zinc/08/83/91/588088391.db2.gz XKUJBMKSSSEGPO-UHFFFAOYSA-N 0 0 233.271 1.432 20 10 BDCDRN C[C@H]1C(=O)N(C)CN1Cc1ccccc1O ZINC000843435698 588110023 /nfs/dbraw/zinc/11/00/23/588110023.db2.gz RGKFUAOAWZVTDT-VIFPVBQESA-N 0 0 220.272 1.012 20 10 BDCDRN CCn1ncnc1CN(C)c1ccc(OC)cc1 ZINC000844354851 588187601 /nfs/dbraw/zinc/18/76/01/588187601.db2.gz ITRIOYMEXRYJHU-UHFFFAOYSA-N 0 0 246.314 1.943 20 10 BDCDRN C[C@H]1C[C@H](NCc2ccccc2O)c2ncnn21 ZINC000850351403 588537774 /nfs/dbraw/zinc/53/77/74/588537774.db2.gz BBDIJANFLKHPJE-ONGXEEELSA-N 0 0 244.298 1.779 20 10 BDCDRN C[C@@H]1C[C@@H](NCc2ccccc2O)c2ncnn21 ZINC000850351402 588538098 /nfs/dbraw/zinc/53/80/98/588538098.db2.gz BBDIJANFLKHPJE-MWLCHTKSSA-N 0 0 244.298 1.779 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@]2(C)CCCO2)c1 ZINC000862758127 589237708 /nfs/dbraw/zinc/23/77/08/589237708.db2.gz PNIOUUKSOCYFCD-AWEZNQCLSA-N 0 0 249.310 1.886 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCCO2)c1 ZINC000862758029 589237771 /nfs/dbraw/zinc/23/77/71/589237771.db2.gz MNXSKAXFHYFUCA-CYBMUJFWSA-N 0 0 249.310 1.886 20 10 BDCDRN CSCC(=O)NCc1cc(C)ccc1O ZINC000862761067 589237792 /nfs/dbraw/zinc/23/77/92/589237792.db2.gz CDSNFTWZKKKIDO-UHFFFAOYSA-N 0 0 225.313 1.680 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C(C)C)c1 ZINC000862759422 589237892 /nfs/dbraw/zinc/23/78/92/589237892.db2.gz FCAKSKMOLDHVKV-UHFFFAOYSA-N 0 0 207.273 1.973 20 10 BDCDRN CO[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000863672658 589309843 /nfs/dbraw/zinc/30/98/43/589309843.db2.gz NNBJRARMWMLLJK-FKQCQYRASA-N 0 0 227.285 1.361 20 10 BDCDRN COC/C=C/C(=O)NCc1ccc(N(C)C)cc1 ZINC000864573082 589379410 /nfs/dbraw/zinc/37/94/10/589379410.db2.gz FMKKEDGUKIGRHR-SNAWJCMRSA-N 0 0 248.326 1.571 20 10 BDCDRN C[C@H](NC(=O)c1ncnn1C)c1ccccc1O 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ZINC000874055404 590089208 /nfs/dbraw/zinc/08/92/08/590089208.db2.gz WUFWHIQYCXXMBY-XYPYZODXSA-N 0 0 235.283 1.653 20 10 BDCDRN CCOC(=O)CN(C)c1ccc(N)cc1 ZINC000020374448 590104816 /nfs/dbraw/zinc/10/48/16/590104816.db2.gz XSJMIFPEJWMEJV-UHFFFAOYSA-N 0 0 208.261 1.268 20 10 BDCDRN C[C@@H]1C[C@H]1NC(=O)N1Cc2cccc(O)c2C1 ZINC000875572096 590165752 /nfs/dbraw/zinc/16/57/52/590165752.db2.gz GPHOJGLPGOETKL-LDYMZIIASA-N 0 0 232.283 1.826 20 10 BDCDRN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876746758 590236843 /nfs/dbraw/zinc/23/68/43/590236843.db2.gz VYASDDOZUUDIRU-LBPRGKRZSA-N 0 0 221.300 1.921 20 10 BDCDRN CCn1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC000126258461 590261458 /nfs/dbraw/zinc/26/14/58/590261458.db2.gz UCBOVKGOQYIJIT-UHFFFAOYSA-N 0 0 247.254 1.567 20 10 BDCDRN COC(=O)C1(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877076246 590278817 /nfs/dbraw/zinc/27/88/17/590278817.db2.gz OYRUPEBTSPMKAE-UHFFFAOYSA-N 0 0 248.282 1.185 20 10 BDCDRN C[C@@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877527866 590348793 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/nfs/dbraw/zinc/24/44/05/592244405.db2.gz SYBPNBJNWVTUBA-VHSXEESVSA-N 0 0 238.306 1.886 20 10 BDCDRN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886543171 592255838 /nfs/dbraw/zinc/25/58/38/592255838.db2.gz LIVPPSBYLVVUBP-YUMQZZPRSA-N 0 0 240.278 1.446 20 10 BDCDRN COC[C@@H](O)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886607304 592274255 /nfs/dbraw/zinc/27/42/55/592274255.db2.gz OZQMYZNOVADCFP-BDAKNGLRSA-N 0 0 243.278 1.189 20 10 BDCDRN C[C@@H]([NH2+][C@H]1CCNC1=O)c1c([O-])cccc1F ZINC000886634377 592284422 /nfs/dbraw/zinc/28/44/22/592284422.db2.gz COMVSQBMTUDGFS-APPZFPTMSA-N 0 0 238.262 1.070 20 10 BDCDRN C[C@@H]([NH2+]CCC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000037252416 597239420 /nfs/dbraw/zinc/23/94/20/597239420.db2.gz YTXCEIUYJVLBCZ-SNVBAGLBSA-N 0 0 236.315 1.878 20 10 BDCDRN CCOc1cccc(C[NH2+][C@@H](C)C(=O)[O-])c1O ZINC000049353446 597302985 /nfs/dbraw/zinc/30/29/85/597302985.db2.gz IIEIBOBKOVBFON-QMMMGPOBSA-N 0 0 239.271 1.354 20 10 BDCDRN CC(C)(CNC(=O)[O-])[NH2+]Cc1ccccc1O ZINC000738752593 602317803 /nfs/dbraw/zinc/31/78/03/602317803.db2.gz NAHMSYYGXUMZLB-UHFFFAOYSA-N 0 0 238.287 1.528 20 10 BDCDRN CC(C)[N@H+](CC(=O)[O-])Cc1ccccc1O ZINC000083405497 604787941 /nfs/dbraw/zinc/78/79/41/604787941.db2.gz WICQKUHYXZXSII-UHFFFAOYSA-N 0 0 223.272 1.687 20 10 BDCDRN CCOCCNC(=O)CSc1nccs1 ZINC000194572838 634399216 /nfs/dbraw/zinc/39/92/16/634399216.db2.gz JFWQUZFBEHIROR-UHFFFAOYSA-N 0 0 246.357 1.388 20 10 BDCDRN CC(=O)C(=O)CS[C@H]1CCCOC1 ZINC000308322750 631290301 /nfs/dbraw/zinc/29/03/01/631290301.db2.gz CMIUYMGWEHOIGP-QMMMGPOBSA-N 0 0 202.275 1.057 20 10 BDCDRN COc1ccc(N(C)CC(C)=O)cc1F ZINC000258972275 631697682 /nfs/dbraw/zinc/69/76/82/631697682.db2.gz VGGSFPXQODJZKQ-UHFFFAOYSA-N 0 0 211.236 1.860 20 10 BDCDRN Cc1ncsc1C=C1SC(=S)NC1=O ZINC000255456999 631721352 /nfs/dbraw/zinc/72/13/52/631721352.db2.gz HIAOKXNWKUPVHU-QHHAFSJGSA-N 0 0 242.350 1.940 20 10 BDCDRN Cn1ncnc1NCc1c(O)cccc1Cl ZINC000309574323 632537252 /nfs/dbraw/zinc/53/72/52/632537252.db2.gz OFDNWYLNFFDACR-UHFFFAOYSA-N 0 0 238.678 1.786 20 10 BDCDRN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CCO1 ZINC000235359186 632678173 /nfs/dbraw/zinc/67/81/73/632678173.db2.gz WPUYCNRRKVZPHP-MFKMUULPSA-N 0 0 248.326 1.495 20 10 BDCDRN C[C@H]1OCC[C@]1(C)NC(=O)Nc1ccc(N)cc1 ZINC000235617150 632801453 /nfs/dbraw/zinc/80/14/53/632801453.db2.gz BSSTUCMMGFMUNW-RNCFNFMXSA-N 0 0 249.314 1.958 20 10 BDCDRN CNC(=O)NCCCSc1nccs1 ZINC000177550091 632836371 /nfs/dbraw/zinc/83/63/71/632836371.db2.gz CYAMHAOZADLGDI-UHFFFAOYSA-N 0 0 231.346 1.554 20 10 BDCDRN Cc1ccc(C(=O)NCc2ccco2)c(O)c1O ZINC000177658177 632857514 /nfs/dbraw/zinc/85/75/14/632857514.db2.gz REHHDMXWDNTDFP-UHFFFAOYSA-N 0 0 247.250 1.929 20 10 BDCDRN [NH3+][C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000309379692 632993955 /nfs/dbraw/zinc/99/39/55/632993955.db2.gz RISQPMGNWVLGIX-SECBINFHSA-N 0 0 226.707 1.579 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)CCCCO ZINC000092172998 633049725 /nfs/dbraw/zinc/04/97/25/633049725.db2.gz PWHDXYOTIDCJRL-UHFFFAOYSA-N 0 0 237.299 1.513 20 10 BDCDRN C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164591858 633079501 /nfs/dbraw/zinc/07/95/01/633079501.db2.gz MEPHCRUXWUFPQY-RKDXNWHRSA-N 0 0 227.279 1.780 20 10 BDCDRN Oc1ccccc1CNc1nccn2cnnc12 ZINC000163146105 635956683 /nfs/dbraw/zinc/95/66/83/635956683.db2.gz KETVMIPZESSKMW-UHFFFAOYSA-N 0 0 241.254 1.442 20 10 BDCDRN CO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000049086464 636011429 /nfs/dbraw/zinc/01/14/29/636011429.db2.gz PUOUPJKVEPUAKD-SNVBAGLBSA-N 0 0 236.315 1.404 20 10 BDCDRN CC(C)(F)C(=O)NCCc1ccc(N)cc1 ZINC000309325595 633895832 /nfs/dbraw/zinc/89/58/32/633895832.db2.gz RGQXNAYTKMFVHP-UHFFFAOYSA-N 0 0 224.279 1.676 20 10 BDCDRN CC[C@H](CNC(=O)Nc1ccc(N)cc1)OC ZINC000310513859 634155866 /nfs/dbraw/zinc/15/58/66/634155866.db2.gz VADBLQWRWBQADF-LLVKDONJSA-N 0 0 237.303 1.815 20 10 BDCDRN COc1ccc(N(C)C[C@H](C)O)cc1F ZINC000192742043 634250008 /nfs/dbraw/zinc/25/00/08/634250008.db2.gz SKXMHSZMYAEWQZ-QMMMGPOBSA-N 0 0 213.252 1.651 20 10 BDCDRN 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20 10 BDCDRN [O-]c1c(C[NH2+][C@H]2CCCOC2)ccc(F)c1F ZINC000703381652 712074663 /nfs/dbraw/zinc/07/46/63/712074663.db2.gz VNNXGICROPVKPG-VIFPVBQESA-N 0 0 243.253 1.939 20 10 BDCDRN CN1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703382037 712074708 /nfs/dbraw/zinc/07/47/08/712074708.db2.gz WZEQFXCQHDKMLO-SECBINFHSA-N 0 0 242.269 1.464 20 10 BDCDRN COC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708435954 712194897 /nfs/dbraw/zinc/19/48/97/712194897.db2.gz HCLKVYQSAYWRNR-SSDOTTSWSA-N 0 0 231.242 1.795 20 10 BDCDRN CO[C@H]1C[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000709006825 712205872 /nfs/dbraw/zinc/20/58/72/712205872.db2.gz QNUVVBCBNFCAOZ-WVSHTKLVSA-N 0 0 249.314 1.815 20 10 BDCDRN CC[C@H](O)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708487590 712210968 /nfs/dbraw/zinc/21/09/68/712210968.db2.gz ZEXHMHADTWTGMR-JTQLQIEISA-N 0 0 245.269 1.921 20 10 BDCDRN CC(C)[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708487468 712211100 /nfs/dbraw/zinc/21/11/00/712211100.db2.gz XZPQSUMLOSSKBW-NSHDSACASA-N 0 0 245.269 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C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(F)cc1[O-] ZINC000720951344 712882432 /nfs/dbraw/zinc/88/24/32/712882432.db2.gz LHYPEMZTFMPBCY-QXEWZRGKSA-N 0 0 239.290 1.953 20 10 BDCDRN O=C1CCN(Cc2ccc(O)cc2O)CC1 ZINC001204275761 966952818 /nfs/dbraw/zinc/95/28/18/966952818.db2.gz AGLBIZICQQLUKX-UHFFFAOYSA-N 0 0 221.256 1.263 20 10 BDCDRN O=S(=O)(CC1CC1)Nc1ccc(O)cc1O ZINC001188927458 980717010 /nfs/dbraw/zinc/71/70/10/980717010.db2.gz XENGLXPVRGBRDP-UHFFFAOYSA-N 0 0 243.284 1.250 20 10 BDCDRN CCCNC(=O)Nc1cccc(O)c1O ZINC001202592046 984099222 /nfs/dbraw/zinc/09/92/22/984099222.db2.gz QFLKQOIUTIOWNM-UHFFFAOYSA-N 0 0 210.233 1.629 20 10 BDCDRN O=C(NCCN1CC=CC1)C1=CC(=O)CS1 ZINC001328128130 972883708 /nfs/dbraw/zinc/88/37/08/972883708.db2.gz ATAOJVVQOHEALK-UHFFFAOYSA-N 0 0 238.312 1.055 20 10 BDCDRN COc1cccc(C[NH2+][C@H](C)CC(=O)[O-])c1O ZINC001611066622 970875065 /nfs/dbraw/zinc/87/50/65/970875065.db2.gz FBYYPMKNMHTONW-MRVPVSSYSA-N 0 0 239.271 1.354 20 10 BDCDRN Nc1ccc(COC[C@H]2C[C@H](O)C2)cc1 ZINC001217919844 971522315 /nfs/dbraw/zinc/52/23/15/971522315.db2.gz CXHNDWRBMXSDDR-UMSPYCQHSA-N 0 0 207.273 1.556 20 10 BDCDRN CC1(C)C[C@H](CNC(=O)Cc2ccc(N)cc2)O1 ZINC001220200626 972183595 /nfs/dbraw/zinc/18/35/95/972183595.db2.gz PDPUHAZJVGMKNB-GFCCVEGCSA-N 0 0 248.326 1.495 20 10 BDCDRN Cc1ccc(O)c(C[NH2+][C@@H](C(=O)[O-])C2CC2)c1 ZINC000086758697 957984760 /nfs/dbraw/zinc/98/47/60/957984760.db2.gz BZYISWCWYKAYAD-GFCCVEGCSA-N 0 0 235.283 1.653 20 10 BDCDRN Nc1ccc(NC(=O)c2ccon2)cc1 ZINC000044584580 958886112 /nfs/dbraw/zinc/88/61/12/958886112.db2.gz WTJLVGKTJVCRAI-UHFFFAOYSA-N 0 0 203.201 1.509 20 10 BDCDRN Oc1cc2c(cc1CN1CC[C@H](F)C1)OCO2 ZINC000689857751 959345395 /nfs/dbraw/zinc/34/53/95/959345395.db2.gz GAUOXBXHELNZRN-VIFPVBQESA-N 0 0 239.246 1.665 20 10 BDCDRN Cc1ccc(O)c(CN2CC(=O)NC[C@H]2C)c1 ZINC001140622975 960465529 /nfs/dbraw/zinc/46/55/29/960465529.db2.gz JNZXLWXBLYYWGH-SNVBAGLBSA-N 0 0 234.299 1.021 20 10 BDCDRN Cc1ccc(O)c(CN2CCCC(=O)C2)c1 ZINC001140620881 960466046 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235.312 1.876 20 10 BDCDRN CCO[C@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000299571644 386466648 /nfs/dbraw/zinc/46/66/48/386466648.db2.gz PLTPADOKQSHFJU-PWSUYJOCSA-N 0 0 235.283 1.433 20 10 BDCDRN COC[C@H](C[NH2+]Cc1cccc(F)c1[O-])OC ZINC000227717422 386507567 /nfs/dbraw/zinc/50/75/67/386507567.db2.gz DVDVVLLHKOVCRP-JTQLQIEISA-N 0 0 243.278 1.282 20 10 BDCDRN Cc1ccc(C(=O)N[C@@H](C)CF)c(O)c1O ZINC000291949135 386601971 /nfs/dbraw/zinc/60/19/71/386601971.db2.gz NYJLSKZZXYCHGZ-ZETCQYMHSA-N 0 0 227.235 1.494 20 10 BDCDRN C[C@H](CF)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292026756 386610530 /nfs/dbraw/zinc/61/05/30/386610530.db2.gz XTBOGXXTOOIKGJ-RYEJSQLPSA-N 0 0 239.246 1.585 20 10 BDCDRN CC[C@H](CO)[N@H+](C)Cc1cccc(OC)c1O ZINC000294666755 386684265 /nfs/dbraw/zinc/68/42/65/386684265.db2.gz AGKDHZDCNUULQL-LLVKDONJSA-N 0 0 239.315 1.604 20 10 BDCDRN CN(C)c1ccc(CNCc2cnn(C)n2)cc1 ZINC000290093068 387370621 /nfs/dbraw/zinc/37/06/21/387370621.db2.gz JSUBBYJELROQMJ-UHFFFAOYSA-N 0 0 245.330 1.171 20 10 BDCDRN 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20 10 BDCDRN C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703394857 712075479 /nfs/dbraw/zinc/07/54/79/712075479.db2.gz NJNOXOUEDPKBOM-OIBJUYFYSA-N 0 0 243.253 1.937 20 10 BDCDRN CC[C@H](CCO)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708484363 712185796 /nfs/dbraw/zinc/18/57/96/712185796.db2.gz HJPPVMPZTLDUJP-SNVBAGLBSA-N 0 0 245.269 1.921 20 10 BDCDRN O=C(c1cccc(O)c1O)N1C[C@@H]2C[C@@H]2C1 ZINC000380361221 712897192 /nfs/dbraw/zinc/89/71/92/712897192.db2.gz ARFHIPHEXOEVEX-OCAPTIKFSA-N 0 0 219.240 1.190 20 10 BDCDRN Cc1ccc(O)c(CNCc2cocn2)c1 ZINC000381619758 710663238 /nfs/dbraw/zinc/66/32/38/710663238.db2.gz YEWUWOMADGDSQU-UHFFFAOYSA-N 0 0 218.256 1.978 20 10 BDCDRN CC1(C)OCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000392896511 711153290 /nfs/dbraw/zinc/15/32/90/711153290.db2.gz DBHRDGBOYRJRLR-LLVKDONJSA-N 0 0 249.314 1.958 20 10 BDCDRN CC(C)(CC[NH2+]Cc1ccccc1O)C(=O)[O-] ZINC000395586610 711213511 /nfs/dbraw/zinc/21/35/11/711213511.db2.gz DSQLPRNSHILUAG-UHFFFAOYSA-N 0 0 237.299 1.983 20 10 BDCDRN C[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccccc1O ZINC000392394386 711146074 /nfs/dbraw/zinc/14/60/74/711146074.db2.gz NTBVPKOEIDRFMX-ZETCQYMHSA-N 0 0 234.259 1.067 20 10 BDCDRN CO[C@@H]1CC[C@@H]1N(C)C(=O)Nc1ccc(N)cc1 ZINC000724184266 711566944 /nfs/dbraw/zinc/56/69/44/711566944.db2.gz QZPZQNMGFLZWDO-NWDGAFQWSA-N 0 0 249.314 1.910 20 10 BDCDRN CO[C@@H](C)CC(=O)NCc1c(O)cccc1F ZINC000928711571 711786156 /nfs/dbraw/zinc/78/61/56/711786156.db2.gz JAFIXKUBDUKBCS-QMMMGPOBSA-N 0 0 241.262 1.573 20 10 BDCDRN Cc1noc(CCC(=O)Nc2ccc(N)cc2)n1 ZINC000701092811 712015010 /nfs/dbraw/zinc/01/50/10/712015010.db2.gz HIRJZXSJBYGWGN-UHFFFAOYSA-N 0 0 246.270 1.532 20 10 BDCDRN CC[C@H](O)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417683 712074631 /nfs/dbraw/zinc/07/46/31/712074631.db2.gz MULPXLCPEDUMTM-VIFPVBQESA-N 0 0 245.269 1.921 20 10 BDCDRN COC1CC([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703394244 712075185 /nfs/dbraw/zinc/07/51/85/712075185.db2.gz JOFQBEIBJQMXFR-UHFFFAOYSA-N 0 0 243.253 1.937 20 10 BDCDRN 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222.288 1.657 20 10 BDCDRN CCNC(=O)CCC(=O)N(C)c1ccc(N)cc1 ZINC000877078229 590279164 /nfs/dbraw/zinc/27/91/64/590279164.db2.gz ISRLGTUBYSHBNI-UHFFFAOYSA-N 0 0 249.314 1.148 20 10 BDCDRN O=C(NCc1ccon1)c1cccc(O)c1O ZINC000126494422 590320597 /nfs/dbraw/zinc/32/05/97/590320597.db2.gz OGYMUIMQGWOYSK-UHFFFAOYSA-N 0 0 234.211 1.016 20 10 BDCDRN COC(C)(C)CNC(=O)c1cccc(O)c1O ZINC000126541456 590334951 /nfs/dbraw/zinc/33/49/51/590334951.db2.gz QEHXOGFXTSSQFP-UHFFFAOYSA-N 0 0 239.271 1.253 20 10 BDCDRN COC(=O)[C@@H](NCc1ccc(C)cc1O)C1CC1 ZINC000877471476 590335123 /nfs/dbraw/zinc/33/51/23/590335123.db2.gz TUPORNNIZYKZNN-ZDUSSCGKSA-N 0 0 249.310 1.742 20 10 BDCDRN Cc1ccc(CN2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000877486678 590339187 /nfs/dbraw/zinc/33/91/87/590339187.db2.gz PWTCOPIGAJCGJT-UHFFFAOYSA-N 0 0 246.310 1.465 20 10 BDCDRN COC(=O)[C@@H](C)NCc1c(C)cccc1O ZINC000877492405 590340084 /nfs/dbraw/zinc/34/00/84/590340084.db2.gz JUGWXXDXRPFSCF-SECBINFHSA-N 0 0 223.272 1.352 20 10 BDCDRN C[N@H+](CCCO)Cc1ccc(F)c(F)c1[O-] ZINC000877498296 590341595 /nfs/dbraw/zinc/34/15/95/590341595.db2.gz BAJCNFUQDMQMTL-UHFFFAOYSA-N 0 0 231.242 1.485 20 10 BDCDRN C[C@@H]1C[C@H](C)N(C(=O)c2cccc(O)c2O)C1 ZINC000126567793 590350580 /nfs/dbraw/zinc/35/05/80/590350580.db2.gz FSAXBSXBFGIVAZ-BDAKNGLRSA-N 0 0 235.283 1.968 20 10 BDCDRN CC[N@H+](Cc1ccc(C)cc1O)[C@@H](C)CO ZINC000877551771 590355916 /nfs/dbraw/zinc/35/59/16/590355916.db2.gz BCTQZMQQJWBDIN-NSHDSACASA-N 0 0 223.316 1.903 20 10 BDCDRN COC1CN(Cc2ccc(C)cc2O)C1 ZINC000877580709 590365593 /nfs/dbraw/zinc/36/55/93/590365593.db2.gz XJBKPRQALWKQAH-UHFFFAOYSA-N 0 0 207.273 1.531 20 10 BDCDRN Cc1cc(O)c(CN2CC(C)(O)C2)cc1Cl ZINC000877580689 590366124 /nfs/dbraw/zinc/36/61/24/590366124.db2.gz GWRDRCLEOYBTSX-UHFFFAOYSA-N 0 0 241.718 1.921 20 10 BDCDRN [O-]c1c(C[NH2+][C@@H]2CC[C@H]2O)ccc(F)c1F ZINC000877597281 590371392 /nfs/dbraw/zinc/37/13/92/590371392.db2.gz GPKCLVRFOJEZIS-RKDXNWHRSA-N 0 0 229.226 1.283 20 10 BDCDRN Cc1cccc(O)c1CN1CCn2nncc2C1 ZINC000877616731 590374091 /nfs/dbraw/zinc/37/40/91/590374091.db2.gz GWVDDHLDSNPHJB-UHFFFAOYSA-N 0 0 244.298 1.308 20 10 BDCDRN Cc1ncc(CN2Cc3cccc(O)c3C2)n1C ZINC000877703007 590395376 /nfs/dbraw/zinc/39/53/76/590395376.db2.gz OEOAHICYTBDGCN-UHFFFAOYSA-N 0 0 243.310 1.950 20 10 BDCDRN COCc1cc(CNCc2ccccc2O)no1 ZINC000882955973 591483554 /nfs/dbraw/zinc/48/35/54/591483554.db2.gz WSMRNIFDLCCHTQ-UHFFFAOYSA-N 0 0 248.282 1.816 20 10 BDCDRN C[N@H+](CCn1ccnc1)Cc1ccccc1O ZINC000131927056 591678692 /nfs/dbraw/zinc/67/86/92/591678692.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 0 0 231.299 1.721 20 10 BDCDRN Cc1ccc(O)c(CN2CCn3ccnc3C2)c1 ZINC000134211325 591903836 /nfs/dbraw/zinc/90/38/36/591903836.db2.gz GDOXNMKATVFNAS-UHFFFAOYSA-N 0 0 243.310 1.913 20 10 BDCDRN O=C(NCc1ccccc1O)c1cncc(O)c1 ZINC000134500550 591932135 /nfs/dbraw/zinc/93/21/35/591932135.db2.gz RWTUACKCVJFMQD-UHFFFAOYSA-N 0 0 244.250 1.423 20 10 BDCDRN CN(Cc1ccccc1O)Cc1nccc(N)n1 ZINC000135187012 591994638 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ZINC001168011241 963309984 /nfs/dbraw/zinc/30/99/84/963309984.db2.gz XBCAZLQRORQHRE-UHFFFAOYSA-N 0 0 246.266 1.853 20 10 BDCDRN Oc1cc(O)c(CCNc2cccnn2)cc1O ZINC001157239508 963563253 /nfs/dbraw/zinc/56/32/53/963563253.db2.gz FYECPSSBSGISPY-UHFFFAOYSA-N 0 0 247.254 1.248 20 10 BDCDRN Nc1cccnc1NCc1ccc(O)c(O)c1 ZINC001158994529 963969131 /nfs/dbraw/zinc/96/91/31/963969131.db2.gz NYGQLASPCXEAPR-UHFFFAOYSA-N 0 0 231.255 1.687 20 10 BDCDRN CNc1ccccc1N[C@H]1C[C@@H](CO)C1 ZINC001168247053 964056959 /nfs/dbraw/zinc/05/69/59/964056959.db2.gz PYMKSWNFGQOYLH-AOOOYVTPSA-N 0 0 206.289 1.911 20 10 BDCDRN Oc1ccccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000690707977 965324179 /nfs/dbraw/zinc/32/41/79/965324179.db2.gz DFBGBAPAGSVAKZ-NSHDSACASA-N 0 0 243.253 1.906 20 10 BDCDRN COc1ccc(CNC(=O)[C@H]2C[C@@H]2F)c(O)c1 ZINC001521550144 966472857 /nfs/dbraw/zinc/47/28/57/966472857.db2.gz QXTCLVXABVDDNM-UWVGGRQHSA-N 0 0 239.246 1.375 20 10 BDCDRN CCOc1cccc(CN2CCC(=O)CC2)c1O ZINC001203602281 966702768 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239.271 1.051 20 10 BDCDRN CCS(=O)(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC001253355012 969139729 /nfs/dbraw/zinc/13/97/29/969139729.db2.gz FWMSBABSMLGSTP-UHFFFAOYSA-N 0 0 243.284 1.356 20 10 BDCDRN CCS(=O)(=O)Nc1cc(F)c(O)cc1F ZINC001253361587 969141153 /nfs/dbraw/zinc/14/11/53/969141153.db2.gz VAXPBDKQGAGRJH-UHFFFAOYSA-N 0 0 237.227 1.432 20 10 BDCDRN CCCc1nnc(-c2ccc(O)c(O)c2O)o1 ZINC001253938598 969423313 /nfs/dbraw/zinc/42/33/13/969423313.db2.gz OMNGCNMNQUBGLL-UHFFFAOYSA-N 0 0 236.227 1.806 20 10 BDCDRN CN(C)Cc1cn(CCc2ccc(N)cc2)nn1 ZINC001254081065 969483769 /nfs/dbraw/zinc/48/37/69/969483769.db2.gz JTOVGSBARFIQTG-UHFFFAOYSA-N 0 0 245.330 1.165 20 10 BDCDRN CC(=O)c1cc(Nc2ccc(O)cc2O)ccn1 ZINC001210592180 969969726 /nfs/dbraw/zinc/96/97/26/969969726.db2.gz DBORHABXBCURKQ-UHFFFAOYSA-N 0 0 244.250 1.861 20 10 BDCDRN Nc1ccc(CC(=O)N2CC(F)(C3CC3)C2)cc1 ZINC001157708225 970608958 /nfs/dbraw/zinc/60/89/58/970608958.db2.gz KGJGEOSSTIHNLJ-UHFFFAOYSA-N 0 0 248.301 1.772 20 10 BDCDRN 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ZINC001593303166 994732430 /nfs/dbraw/zinc/73/24/30/994732430.db2.gz DGQRJLQGOSIMFY-LSJOCFKGSA-N 0 0 235.283 1.591 20 10 BDCDRN CCN1CC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC001301046799 995062207 /nfs/dbraw/zinc/06/22/07/995062207.db2.gz LHXBLKRDBKJJJL-GFCCVEGCSA-N 0 0 248.326 1.411 20 10 BDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2F)cc1 ZINC001337079632 995133913 /nfs/dbraw/zinc/13/39/13/995133913.db2.gz CVTGVIOVXORMAT-VXGBXAGGSA-N 0 0 236.290 1.727 20 10 BDCDRN Cc1nc[nH]c1C(=O)NCc1cccc(O)c1O ZINC001303195611 995142426 /nfs/dbraw/zinc/14/24/26/995142426.db2.gz XKIOOYWWJPHHFV-UHFFFAOYSA-N 0 0 247.254 1.059 20 10 BDCDRN CC(C)CC(=O)NCc1cc(O)ccc1O ZINC001303223150 995144030 /nfs/dbraw/zinc/14/40/30/995144030.db2.gz CFRWEWZKDFPZNR-UHFFFAOYSA-N 0 0 223.272 1.760 20 10 BDCDRN C[C@@H]([NH2+]C[C@H](C)O)c1cc(C(=O)[O-])ccc1O ZINC001593462540 995386973 /nfs/dbraw/zinc/38/69/73/995386973.db2.gz MEEDHNAQPMNZNY-JGVFFNPUSA-N 0 0 239.271 1.122 20 10 BDCDRN Cc1cc(O)c(CN2CCO[C@H]3C[C@H]32)cc1C ZINC000368143253 178196425 /nfs/dbraw/zinc/19/64/25/178196425.db2.gz RVGLAHVIOJPGRC-OCCSQVGLSA-N 0 0 233.311 1.982 20 10 BDCDRN CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)[O-])cc1 ZINC000077253752 398254956 /nfs/dbraw/zinc/25/49/56/398254956.db2.gz SMXBJJSTSIWUMV-UHFFFAOYSA-N 0 0 236.315 1.705 20 10 BDCDRN Cc1ccc(C(=O)N2CCCO2)c(O)c1O ZINC000155785296 178387696 /nfs/dbraw/zinc/38/76/96/178387696.db2.gz ISYORDSXYKLHFJ-UHFFFAOYSA-N 0 0 223.228 1.184 20 10 BDCDRN Cc1ccc(C(=O)N2CC[C@H](C)C2)c(O)c1O ZINC000271266731 178396767 /nfs/dbraw/zinc/39/67/67/178396767.db2.gz KYGUUEBSIWBKRL-QMMMGPOBSA-N 0 0 235.283 1.888 20 10 BDCDRN CCc1nc(CN(C)Cc2ccccc2O)no1 ZINC000111235171 344584609 /nfs/dbraw/zinc/58/46/09/344584609.db2.gz HPGVCWDZKJNQGV-UHFFFAOYSA-N 0 0 247.298 1.970 20 10 BDCDRN Cc1cccc(CN2CC(=O)N[C@@H](C)C2)c1O ZINC000295091657 179072397 /nfs/dbraw/zinc/07/23/97/179072397.db2.gz TXNVJZTUBNYNCH-JTQLQIEISA-N 0 0 234.299 1.021 20 10 BDCDRN Cc1cccc(CN[C@H](C)c2ncn(C)n2)c1O ZINC000276264032 179100732 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/nfs/dbraw/zinc/28/88/00/590288800.db2.gz MEMUNKLDUUNYPU-UHFFFAOYSA-N 0 0 247.298 1.502 20 10 BDCDRN Cc1cccc(O)c1CN1CCn2ncnc2C1 ZINC000877406212 590323968 /nfs/dbraw/zinc/32/39/68/590323968.db2.gz SAXUFOKDSXGGHY-UHFFFAOYSA-N 0 0 244.298 1.308 20 10 BDCDRN COC(=O)[C@H](C)NCc1c(C)cccc1O ZINC000877476644 590335807 /nfs/dbraw/zinc/33/58/07/590335807.db2.gz JUGWXXDXRPFSCF-VIFPVBQESA-N 0 0 223.272 1.352 20 10 BDCDRN COC(=O)[C@@H](CF)NCc1c(C)cccc1O ZINC000877529818 590348954 /nfs/dbraw/zinc/34/89/54/590348954.db2.gz NFTOMAYNFZHPDD-SNVBAGLBSA-N 0 0 241.262 1.301 20 10 BDCDRN Nc1ccc(NC(=O)CCN2CCCC2=O)cc1 ZINC000022173607 590362565 /nfs/dbraw/zinc/36/25/65/590362565.db2.gz ZDUXWUFAJQLZKA-UHFFFAOYSA-N 0 0 247.298 1.220 20 10 BDCDRN Cn1nccc1CN1Cc2cccc(O)c2C1 ZINC000877703342 590395789 /nfs/dbraw/zinc/39/57/89/590395789.db2.gz CFTAVYSVZFDYED-UHFFFAOYSA-N 0 0 229.283 1.642 20 10 BDCDRN CCn1nncc1CN1Cc2cccc(O)c2C1 ZINC000877702918 590395862 /nfs/dbraw/zinc/39/58/62/590395862.db2.gz 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187873853 /nfs/dbraw/zinc/87/38/53/187873853.db2.gz QTVKCCKEINJRDQ-UHFFFAOYSA-N 0 0 232.235 1.352 20 10 BDCDRN COc1ccc(SCC(=O)C(C)=O)cc1 ZINC000288281732 187858331 /nfs/dbraw/zinc/85/83/31/187858331.db2.gz AZEMSIJVUCNOGF-UHFFFAOYSA-N 0 0 224.281 1.945 20 10 BDCDRN NC(=O)COc1ccc(N2CCCC2)cc1 ZINC000178191878 181239122 /nfs/dbraw/zinc/23/91/22/181239122.db2.gz GGBGCEWEEXOXIZ-UHFFFAOYSA-N 0 0 220.272 1.151 20 10 BDCDRN O=C1NC(=S)S/C1=C/c1cncs1 ZINC000129882900 357011010 /nfs/dbraw/zinc/01/10/10/357011010.db2.gz SRGZDGRNAGHVDP-ORCRQEGFSA-N 0 0 228.323 1.632 20 10 BDCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCO2)cc1 ZINC000033465156 181704309 /nfs/dbraw/zinc/70/43/09/181704309.db2.gz NFGYMQHOUCZLJA-LBPRGKRZSA-N 0 0 234.299 1.107 20 10 BDCDRN O=C(NCc1ccc(O)c(O)c1)C1[C@@H]2CCC[C@H]12 ZINC000182519367 182251328 /nfs/dbraw/zinc/25/13/28/182251328.db2.gz BQAVFRWWJSOAKM-HWYHXSKPSA-N 0 0 247.294 1.760 20 10 BDCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC1(F)F ZINC000296464520 182251935 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/nfs/dbraw/zinc/23/60/75/384236075.db2.gz FVXYZVVNJUXEBA-BDAKNGLRSA-N 0 0 227.279 1.953 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)C1CC(=O)C1 ZINC000119196324 384245453 /nfs/dbraw/zinc/24/54/53/384245453.db2.gz XWNMUNJRJPXLCF-UHFFFAOYSA-N 0 0 233.267 1.330 20 10 BDCDRN CNC(=O)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162832742 384693398 /nfs/dbraw/zinc/69/33/98/384693398.db2.gz CUJIUPRDKVVFPO-UHFFFAOYSA-N 0 0 242.706 1.271 20 10 BDCDRN CC[N@H+](CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000188063968 385012095 /nfs/dbraw/zinc/01/20/95/385012095.db2.gz PDZKPOYVGIFWTI-UHFFFAOYSA-N 0 0 236.315 1.316 20 10 BDCDRN CC[C@H](NCc1ncn(C)n1)c1ccccc1O ZINC000157006505 385046307 /nfs/dbraw/zinc/04/63/07/385046307.db2.gz PMUZBLOWXBRWHQ-NSHDSACASA-N 0 0 246.314 1.762 20 10 BDCDRN Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000155011228 385370176 /nfs/dbraw/zinc/37/01/76/385370176.db2.gz SWVLMMBNWLNLHU-LLVKDONJSA-N 0 0 248.326 1.398 20 10 BDCDRN Cc1ccc(O)c(CN2CCn3cnnc3C2)c1 ZINC000156046037 385432390 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1.961 20 10 BDCDRN COC[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000234839433 387325202 /nfs/dbraw/zinc/32/52/02/387325202.db2.gz BTGOLSAUKLMKSA-SCZZXKLOSA-N 0 0 243.278 1.189 20 10 BDCDRN O=C(/C=C/c1cccnc1)N1CCn2nccc21 ZINC000375601280 387557157 /nfs/dbraw/zinc/55/71/57/387557157.db2.gz UJGOJSVAEMOSNQ-ONEGZZNKSA-N 0 0 240.266 1.338 20 10 BDCDRN Cc1ccc(O)c(CNc2ncn(C)n2)c1 ZINC000292453716 388381641 /nfs/dbraw/zinc/38/16/41/388381641.db2.gz OEDNHEBNAPQGGL-UHFFFAOYSA-N 0 0 218.260 1.441 20 10 BDCDRN CC(C)CN(C)C(=O)c1cccc(O)c1O ZINC000163270108 166936621 /nfs/dbraw/zinc/93/66/21/166936621.db2.gz YZZFIWKJWVYZMB-UHFFFAOYSA-N 0 0 223.272 1.826 20 10 BDCDRN CO[C@@H](C)CCNC(=O)c1cccc(O)c1O ZINC000280764149 397745675 /nfs/dbraw/zinc/74/56/75/397745675.db2.gz YFOJIEWYWZQGMR-QMMMGPOBSA-N 0 0 239.271 1.253 20 10 BDCDRN CC[C@H](OC)C(=O)NCCc1ccc(N)cc1 ZINC000269150003 397956662 /nfs/dbraw/zinc/95/66/62/397956662.db2.gz NUYBTKQNQVFTCT-LBPRGKRZSA-N 0 0 236.315 1.353 20 10 BDCDRN CC[C@H](C(=O)OC)N(C)Cc1ccccc1O ZINC000173359184 171240455 /nfs/dbraw/zinc/24/04/55/171240455.db2.gz VXFLIOGTTNYIAI-LLVKDONJSA-N 0 0 237.299 1.776 20 10 BDCDRN CN(C(=O)c1cccc(O)c1O)C1CCC1 ZINC000163279840 172341891 /nfs/dbraw/zinc/34/18/91/172341891.db2.gz ADXFJQGULCCBSM-UHFFFAOYSA-N 0 0 221.256 1.722 20 10 BDCDRN CN(Cc1csnn1)c1ccc2c(c1)OCO2 ZINC000180759525 172923944 /nfs/dbraw/zinc/92/39/44/172923944.db2.gz NVMLXMOQCJZYHR-UHFFFAOYSA-N 0 0 249.295 1.903 20 10 BDCDRN CN(Cc1ncnn1C)c1ccc2c(c1)OCO2 ZINC000121295362 172936268 /nfs/dbraw/zinc/93/62/68/172936268.db2.gz BEDSCTATWNXUEC-UHFFFAOYSA-N 0 0 246.270 1.180 20 10 BDCDRN COC(=O)CCSc1nccs1 ZINC000040418586 173565455 /nfs/dbraw/zinc/56/54/55/173565455.db2.gz BMLRRACASRATSU-UHFFFAOYSA-N 0 0 203.288 1.798 20 10 BDCDRN COc1ccc(O)c(CN2CCO[C@H]3C[C@H]32)c1 ZINC000366556108 175157328 /nfs/dbraw/zinc/15/73/28/175157328.db2.gz FULLDAUCYQJQMN-YPMHNXCESA-N 0 0 235.283 1.374 20 10 BDCDRN CS[C@H](C)C(=O)NCc1ccccc1O ZINC000299581548 175555447 /nfs/dbraw/zinc/55/54/47/175555447.db2.gz RDHLFKXRGFOWBV-MRVPVSSYSA-N 0 0 225.313 1.760 20 10 BDCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)C1CC1 ZINC000148759823 175614678 /nfs/dbraw/zinc/61/46/78/175614678.db2.gz OSXSUIMCEFTKTB-SNVBAGLBSA-N 0 0 232.327 1.974 20 10 BDCDRN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1O ZINC000193687307 176184153 /nfs/dbraw/zinc/18/41/53/176184153.db2.gz BUNGSUKQRXSLDE-SKDRFNHKSA-N 0 0 234.299 1.006 20 10 BDCDRN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCCO1 ZINC000061913558 176249020 /nfs/dbraw/zinc/24/90/20/176249020.db2.gz MFECNYQSMIEEOM-LLVKDONJSA-N 0 0 248.326 1.449 20 10 BDCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)[C@@H]1C ZINC000295706552 176258927 /nfs/dbraw/zinc/25/89/27/176258927.db2.gz YCTMXGTYPDEYSB-RNFRBKRXSA-N 0 0 239.246 1.717 20 10 BDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCC1=O ZINC000168829558 176262133 /nfs/dbraw/zinc/26/21/33/176262133.db2.gz VMVWTKPFCYDWCA-MRVPVSSYSA-N 0 0 249.266 1.149 20 10 BDCDRN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 ZINC000021958509 177218470 /nfs/dbraw/zinc/21/84/70/177218470.db2.gz XLDBUJCIQVZWBZ-JTQLQIEISA-N 0 0 234.299 1.059 20 10 BDCDRN C[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CCO1 ZINC000271910519 177308652 /nfs/dbraw/zinc/30/86/52/177308652.db2.gz ZBWBPGVRAFXHSS-QWRGUYRKSA-N 0 0 249.310 1.824 20 10 BDCDRN CN(C(=O)/C=C/c1ccn(C)c1)c1cnn(C)c1 ZINC000493004982 226320579 /nfs/dbraw/zinc/32/05/79/226320579.db2.gz LQCBIILNYAJPDU-SNAWJCMRSA-N 0 0 244.298 1.435 20 10 BDCDRN COC(=O)C(=O)[C@@H](C)Sc1nccs1 ZINC000275090710 487666552 /nfs/dbraw/zinc/66/65/52/487666552.db2.gz LNZAIGJJTUVMIH-RXMQYKEDSA-N 0 0 231.298 1.366 20 10 BDCDRN COC[C@@H](O)CN(C)c1ccc(OC)cc1 ZINC000008697948 588731950 /nfs/dbraw/zinc/73/19/50/588731950.db2.gz LOBJORACDSXKTD-NSHDSACASA-N 0 0 225.288 1.139 20 10 BDCDRN Cc1ccc(C(=O)NN2CCCC2)c(O)c1O ZINC000854328299 588784444 /nfs/dbraw/zinc/78/44/44/588784444.db2.gz UNAQUCOQEYJOJK-UHFFFAOYSA-N 0 0 236.271 1.147 20 10 BDCDRN CC(C)[C@](C)(CO)NC(=O)C1=CC(=O)CS1 ZINC000854527015 588790435 /nfs/dbraw/zinc/79/04/35/588790435.db2.gz OLLUYTJAQYKJEB-NSHDSACASA-N 0 0 243.328 1.591 20 10 BDCDRN CC1=NO[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000854804023 588811008 /nfs/dbraw/zinc/81/10/08/588811008.db2.gz UAXHGKVFPZURQD-MRVPVSSYSA-N 0 0 240.284 1.348 20 10 BDCDRN O=C(C1=CC(=O)CS1)N1CCC12COC2 ZINC000854838762 588812722 /nfs/dbraw/zinc/81/27/22/588812722.db2.gz TUFQUIOXCCOCRJ-UHFFFAOYSA-N 0 0 225.269 1.069 20 10 BDCDRN C[C@@H](O)[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000855869358 588852087 /nfs/dbraw/zinc/85/20/87/588852087.db2.gz MQRACYDTYGWKKN-VXNVDRBHSA-N 0 0 241.312 1.439 20 10 BDCDRN Cn1cc(C[NH2+]Cc2c([O-])cccc2F)cn1 ZINC000896642486 583818621 /nfs/dbraw/zinc/81/86/21/583818621.db2.gz XWKCUHFCQPVIFR-UHFFFAOYSA-N 0 0 235.262 1.555 20 10 BDCDRN CCOc1ccc(N(C)Cc2nnn(C)n2)cc1 ZINC000788021320 583934399 /nfs/dbraw/zinc/93/43/99/583934399.db2.gz UMZYOMDIEJZFPK-UHFFFAOYSA-N 0 0 247.302 1.245 20 10 BDCDRN O=C(CC1COC1)NCc1ccccc1O ZINC000901122547 584387185 /nfs/dbraw/zinc/38/71/85/584387185.db2.gz GKMPHKZIGXMWQZ-UHFFFAOYSA-N 0 0 221.256 1.045 20 10 BDCDRN C[C@H]([NH2+]CCCON)c1cc(F)cc(F)c1[O-] ZINC000902426920 584594235 /nfs/dbraw/zinc/59/42/35/584594235.db2.gz YYLBXVPZPDMXSF-ZETCQYMHSA-N 0 0 246.257 1.601 20 10 BDCDRN COc1cccc(O)c1CNc1cnn(C)c1 ZINC000731449921 584926135 /nfs/dbraw/zinc/92/61/35/584926135.db2.gz FVWVINPGDBWYRO-UHFFFAOYSA-N 0 0 233.271 1.746 20 10 BDCDRN O=C(NCCc1cccnc1)C1=CC(=O)CS1 ZINC000731867328 584930566 /nfs/dbraw/zinc/93/05/66/584930566.db2.gz GBBSMCIXTAHDHQ-UHFFFAOYSA-N 0 0 248.307 1.821 20 10 BDCDRN O=C(Nc1nncs1)C1=CC(=O)CS1 ZINC000731867090 584930606 /nfs/dbraw/zinc/93/06/06/584930606.db2.gz FAKQPEOPTBCJBK-UHFFFAOYSA-N 0 0 227.270 1.558 20 10 BDCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)CCO1 ZINC000731868918 584930882 /nfs/dbraw/zinc/93/08/82/584930882.db2.gz DXNRSKMKOPTPRL-UHFFFAOYSA-N 0 0 241.312 1.705 20 10 BDCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732283345 584935973 /nfs/dbraw/zinc/93/59/73/584935973.db2.gz HOHUJMYTOWAUCT-SSDOTTSWSA-N 0 0 211.286 1.936 20 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CC(C)NC(=S)NCc1ccccc1O ZINC000748155986 585188389 /nfs/dbraw/zinc/18/83/89/585188389.db2.gz CIYBQDHZKLCPFR-UHFFFAOYSA-N 0 0 224.329 1.765 20 10 BDCDRN O=C(NCc1ccccc1O)Nc1ccncc1 ZINC000748325594 585190572 /nfs/dbraw/zinc/19/05/72/585190572.db2.gz QPSLAGRNIXESQI-UHFFFAOYSA-N 0 0 243.266 1.531 20 10 BDCDRN O=C(NCC1(O)CCCC1)C1=CC(=O)CS1 ZINC000748356710 585191699 /nfs/dbraw/zinc/19/16/99/585191699.db2.gz RZWCPOUSZUFJKR-UHFFFAOYSA-N 0 0 241.312 1.489 20 10 BDCDRN CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000748407380 585192396 /nfs/dbraw/zinc/19/23/96/585192396.db2.gz PRWCGEJLWZVIAV-UHFFFAOYSA-N 0 0 228.317 1.087 20 10 BDCDRN CCCN1CC(=O)N[C@H]1c1cc(F)ccc1O ZINC000840824796 585332796 /nfs/dbraw/zinc/33/27/96/585332796.db2.gz ORNORHBOEAIPFY-GFCCVEGCSA-N 0 0 238.262 1.372 20 10 BDCDRN CC(C)[C@@H]1CCN1C(=O)c1cccc(O)c1O ZINC000839782014 585341679 /nfs/dbraw/zinc/34/16/79/585341679.db2.gz DUBSCKIAKPZVLL-JTQLQIEISA-N 0 0 235.283 1.968 20 10 BDCDRN CN(C)c1ccc(CNC(=O)c2cnco2)cc1 ZINC000758146349 585350807 /nfs/dbraw/zinc/35/08/07/585350807.db2.gz TUKPOXIMXYRCJR-UHFFFAOYSA-N 0 0 245.282 1.671 20 10 BDCDRN CC(C)(O)CCOC(=O)c1cccc(O)c1O ZINC000758548745 585357287 /nfs/dbraw/zinc/35/72/87/585357287.db2.gz UFVGSCJTXGKDKN-UHFFFAOYSA-N 0 0 240.255 1.416 20 10 BDCDRN Cc1nc(COC(=O)C2=CC(=O)CS2)no1 ZINC000759521740 585374417 /nfs/dbraw/zinc/37/44/17/585374417.db2.gz DNMGUANBBZKTMQ-UHFFFAOYSA-N 0 0 240.240 1.502 20 10 BDCDRN CN(Cc1ccccc1O)c1cccnn1 ZINC000760261854 585387996 /nfs/dbraw/zinc/38/79/96/585387996.db2.gz GELLFPHSYZKAHY-UHFFFAOYSA-N 0 0 215.256 1.819 20 10 BDCDRN CC[C@@H](O)CCCNC(=O)C1=CC(=O)CS1 ZINC000761570758 585417515 /nfs/dbraw/zinc/41/75/15/585417515.db2.gz BDPRNRXLSFPWBV-MRVPVSSYSA-N 0 0 243.328 1.735 20 10 BDCDRN COCCC(=O)COC(=O)C1=CC(=O)CS1 ZINC000761951348 585423202 /nfs/dbraw/zinc/42/32/02/585423202.db2.gz ZCZGLQGIOIAULX-UHFFFAOYSA-N 0 0 244.268 1.216 20 10 BDCDRN Cc1ccc(C=C2SC(=S)NC2=O)cn1 ZINC000764887918 585477122 /nfs/dbraw/zinc/47/71/22/585477122.db2.gz JPQOYGLWSQJLSK-YWEYNIOJSA-N 0 0 236.321 1.879 20 10 BDCDRN C[C@@H]1[C@H](C)OCCN1C(=O)C1=CC(=O)CS1 ZINC000768258304 585534908 /nfs/dbraw/zinc/53/49/08/585534908.db2.gz OAUGQKPDNDRFKY-SFYZADRCSA-N 0 0 241.312 1.703 20 10 BDCDRN C[C@@H](NS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773085650 585631026 /nfs/dbraw/zinc/63/10/26/585631026.db2.gz ZWYZDIUZFVYYJO-SECBINFHSA-N 0 0 242.344 1.363 20 10 BDCDRN Cc1noc(C(=O)NCc2ccccc2O)n1 ZINC000774063758 585649522 /nfs/dbraw/zinc/64/95/22/585649522.db2.gz JKTHPTFJDQHORI-UHFFFAOYSA-N 0 0 233.227 1.014 20 10 BDCDRN C[N@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639490 585682016 /nfs/dbraw/zinc/68/20/16/585682016.db2.gz XDAIRXGUMLVYCS-UHFFFAOYSA-N 0 0 233.670 1.609 20 10 BDCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000775648588 585682610 /nfs/dbraw/zinc/68/26/10/585682610.db2.gz DEQHFAWYFZPYLU-VIFPVBQESA-N 0 0 245.681 1.751 20 10 BDCDRN COC[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000783607013 585838161 /nfs/dbraw/zinc/83/81/61/585838161.db2.gz CYXPVGHAEPUUKY-ZCFIWIBFSA-N 0 0 216.258 1.645 20 10 BDCDRN O=C(C1=CC(=O)CS1)N(CCO)C1CCC1 ZINC000784806076 585866465 /nfs/dbraw/zinc/86/64/65/585866465.db2.gz ORPSUHXGXOYOOF-UHFFFAOYSA-N 0 0 241.312 1.441 20 10 BDCDRN CC(C)C1(O)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000785833716 585881632 /nfs/dbraw/zinc/88/16/32/585881632.db2.gz YLIWLWNKVYBFRY-UHFFFAOYSA-N 0 0 248.370 1.955 20 10 BDCDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C1=CC(=O)CS1 ZINC000787929780 585917502 /nfs/dbraw/zinc/91/75/02/585917502.db2.gz RNKJUVNPJGBVAI-MBTKJCJQSA-N 0 0 223.297 1.982 20 10 BDCDRN O=C(Nc1c[nH]ccc1=O)c1cccc(O)c1O ZINC000790540740 585965982 /nfs/dbraw/zinc/96/59/82/585965982.db2.gz XEISJPDTAQTEKT-UHFFFAOYSA-N 0 0 246.222 1.038 20 10 BDCDRN O=C(NC[C@@H]1CCSC1)C1=CC(=O)CS1 ZINC000791059548 585973600 /nfs/dbraw/zinc/97/36/00/585973600.db2.gz BYTRYXBUXKASBQ-ZETCQYMHSA-N 0 0 243.353 1.937 20 10 BDCDRN Cc1ccc(C(=O)N2CC(C)(F)C2)c(O)c1O ZINC000792522810 586001453 /nfs/dbraw/zinc/00/14/53/586001453.db2.gz IAAGVHRNUYXPTK-UHFFFAOYSA-N 0 0 239.246 1.590 20 10 BDCDRN O=C(NCc1ccc(O)c(O)c1)C1=CCOCC1 ZINC000793690917 586025108 /nfs/dbraw/zinc/02/51/08/586025108.db2.gz YHWZIBALVDGJEY-UHFFFAOYSA-N 0 0 249.266 1.061 20 10 BDCDRN COc1ccc(CNC(=O)c2cn[nH]c2)c(O)c1 ZINC000794384292 586038787 /nfs/dbraw/zinc/03/87/87/586038787.db2.gz YSXKOMAAGIHRMB-UHFFFAOYSA-N 0 0 247.254 1.054 20 10 BDCDRN COc1ccc(CNC(=O)C=C(C)C)c(O)c1 ZINC000794381612 586038796 /nfs/dbraw/zinc/03/87/96/586038796.db2.gz QJABMMIQCVPYAO-UHFFFAOYSA-N 0 0 235.283 1.983 20 10 BDCDRN COCCC(=O)NCc1ccc(OC)cc1O ZINC000794376736 586038918 /nfs/dbraw/zinc/03/89/18/586038918.db2.gz JKGWGJYNJSUUHJ-UHFFFAOYSA-N 0 0 239.271 1.054 20 10 BDCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)C1CC1 ZINC000798615824 586146397 /nfs/dbraw/zinc/14/63/97/586146397.db2.gz MTDVGZFMPMDGKE-LURJTMIESA-N 0 0 240.280 1.978 20 10 BDCDRN CCN(C[C@@H](C)O)c1ccc(OC)c(OC)c1 ZINC000799129865 586161285 /nfs/dbraw/zinc/16/12/85/586161285.db2.gz XQXHFAWLWXSWPE-SNVBAGLBSA-N 0 0 239.315 1.911 20 10 BDCDRN 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20 10 BDCDRN CC(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000026283649 591482906 /nfs/dbraw/zinc/48/29/06/591482906.db2.gz RNZWOGIRBNBORU-GQCTYLIASA-N 0 0 235.283 1.883 20 10 BDCDRN C[C@@H]1CCC(=O)CN1C(=O)c1cccc(O)c1O ZINC000885083448 592048874 /nfs/dbraw/zinc/04/88/74/592048874.db2.gz OFQXIHGCBXRGDS-MRVPVSSYSA-N 0 0 249.266 1.291 20 10 BDCDRN C[C@@H](CCO)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530090 592247411 /nfs/dbraw/zinc/24/74/11/592247411.db2.gz CUFFGJFBAVBWRI-IUCAKERBSA-N 0 0 227.279 1.953 20 10 BDCDRN CN(C)c1ccc(C[NH2+]CCC(=O)[O-])cc1 ZINC000036892067 597134256 /nfs/dbraw/zinc/13/42/56/597134256.db2.gz NVBBIRVHUCYUMZ-UHFFFAOYSA-N 0 0 222.288 1.317 20 10 BDCDRN C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)[O-] ZINC000049354035 597151993 /nfs/dbraw/zinc/15/19/93/597151993.db2.gz ZLYASCUGZWQAMC-ZCFIWIBFSA-N 0 0 229.663 1.608 20 10 BDCDRN C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000049358132 597304036 /nfs/dbraw/zinc/30/40/36/597304036.db2.gz DQIPLPMWERRABJ-QMMMGPOBSA-N 0 0 221.256 1.184 20 10 BDCDRN Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)[O-])c1 ZINC000070955403 597304562 /nfs/dbraw/zinc/30/45/62/597304562.db2.gz LJWTYFYDXODITE-QMMMGPOBSA-N 0 0 209.245 1.263 20 10 BDCDRN C[C@@H]([NH2+]CCCC(=O)[O-])c1ccccc1O ZINC000037418423 597732805 /nfs/dbraw/zinc/73/28/05/597732805.db2.gz FBAOQESOACKDFJ-SECBINFHSA-N 0 0 223.272 1.908 20 10 BDCDRN C[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1O ZINC000234291238 598211214 /nfs/dbraw/zinc/21/12/14/598211214.db2.gz UZYAUIBWWISXEN-UHFFFAOYSA-N 0 0 227.235 1.438 20 10 BDCDRN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000086729590 598211769 /nfs/dbraw/zinc/21/17/69/598211769.db2.gz CPLUGEMCYWPPAX-NSHDSACASA-N 0 0 235.283 1.831 20 10 BDCDRN O=C([O-])c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000228409136 600524642 /nfs/dbraw/zinc/52/46/42/600524642.db2.gz OOSKTIPNKPBUEN-UHFFFAOYSA-N 0 0 247.250 1.973 20 10 BDCDRN C[C@@H](CC[NH2+]Cc1ccccc1O)NC(=O)[O-] ZINC000738909177 602650053 /nfs/dbraw/zinc/65/00/53/602650053.db2.gz ZZZOXMZGRBTSIK-VIFPVBQESA-N 0 0 238.287 1.528 20 10 BDCDRN O=C(N[C@@H]1CC12CC(O)C2)C1=CC(=O)CS1 ZINC000888953787 634503871 /nfs/dbraw/zinc/50/38/71/634503871.db2.gz XDFKJLVBDFSJDC-PUDKOPFASA-N 0 0 239.296 1.097 20 10 BDCDRN CCOC(=O)[C@H](C)NCc1cccc(F)c1O ZINC000083369149 631424120 /nfs/dbraw/zinc/42/41/20/631424120.db2.gz HVJBXAABKVMHIO-QMMMGPOBSA-N 0 0 241.262 1.573 20 10 BDCDRN C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1O ZINC000163138790 633049334 /nfs/dbraw/zinc/04/93/34/633049334.db2.gz ZHECCSVZLJFIQE-ONGXEEELSA-N 0 0 235.283 1.433 20 10 BDCDRN O=C(Nc1nccs1)c1cccc(O)c1O ZINC000163266662 633051814 /nfs/dbraw/zinc/05/18/14/633051814.db2.gz KZRHNQCTDLTEDC-UHFFFAOYSA-N 0 0 236.252 1.807 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644829 636170966 /nfs/dbraw/zinc/17/09/66/636170966.db2.gz GGLFYFNSHAKWME-PRHODGIISA-N 0 0 241.237 1.237 20 10 BDCDRN COc1ccc(N(C)CC2(CO)COC2)cc1 ZINC000258869406 635217242 /nfs/dbraw/zinc/21/72/42/635217242.db2.gz BEGLMAMOJMDMMF-UHFFFAOYSA-N 0 0 237.299 1.140 20 10 BDCDRN CC[C@@H](C)N(C)C(=O)c1cccc(O)c1O ZINC000163270237 636347211 /nfs/dbraw/zinc/34/72/11/636347211.db2.gz AZOXSJWNLUNKBN-MRVPVSSYSA-N 0 0 223.272 1.968 20 10 BDCDRN Nc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1 ZINC000042471486 637269143 /nfs/dbraw/zinc/26/91/43/637269143.db2.gz KLPVDUXVXAFMOM-LLVKDONJSA-N 0 0 235.287 1.257 20 10 BDCDRN [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000904449932 637413965 /nfs/dbraw/zinc/41/39/65/637413965.db2.gz NLGOXMNKADWVOJ-UHFFFAOYSA-N 0 0 244.697 1.766 20 10 BDCDRN NOCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000904455813 637416607 /nfs/dbraw/zinc/41/66/07/637416607.db2.gz BUGGLHIVWCVJMJ-UHFFFAOYSA-N 0 0 230.695 1.416 20 10 BDCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2O)cc1 ZINC000904925754 637529411 /nfs/dbraw/zinc/52/94/11/637529411.db2.gz KZTXKWNXSPLNHK-QWRGUYRKSA-N 0 0 220.272 1.368 20 10 BDCDRN C[C@@](O)(C(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000904926869 637530381 /nfs/dbraw/zinc/53/03/81/637530381.db2.gz XZXIAKKMRNMAMH-ZDUSSCGKSA-N 0 0 234.299 1.758 20 10 BDCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC12CCC2 ZINC000910950854 639539807 /nfs/dbraw/zinc/53/98/07/639539807.db2.gz KYWZDFVXYLRHID-LLVKDONJSA-N 0 0 247.294 1.904 20 10 BDCDRN C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164591737 640493615 /nfs/dbraw/zinc/49/36/15/640493615.db2.gz MEPHCRUXWUFPQY-DTWKUNHWSA-N 0 0 227.279 1.780 20 10 BDCDRN Oc1c(F)cccc1CN1CCOCC1 ZINC000165409256 640568509 /nfs/dbraw/zinc/56/85/09/640568509.db2.gz UPTDILJVIPXZND-UHFFFAOYSA-N 0 0 211.236 1.364 20 10 BDCDRN O=C(NCc1ccccc1O)c1csnn1 ZINC000157876106 640767578 /nfs/dbraw/zinc/76/75/78/640767578.db2.gz KKIIBADVHHNZHH-UHFFFAOYSA-N 0 0 235.268 1.174 20 10 BDCDRN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(F)cc1[O-] ZINC000168828225 640828844 /nfs/dbraw/zinc/82/88/44/640828844.db2.gz WALTZGSTMGJHEM-JGVFFNPUSA-N 0 0 240.278 1.446 20 10 BDCDRN CCCNC(=S)NCc1cccn1C ZINC000231647872 641190739 /nfs/dbraw/zinc/19/07/39/641190739.db2.gz RWJYVOOJAZYZON-UHFFFAOYSA-N 0 0 211.334 1.399 20 10 BDCDRN CC[C@](C)(O)C(=O)NCc1ccccc1O ZINC000934936593 641307097 /nfs/dbraw/zinc/30/70/97/641307097.db2.gz VHMGJCMQOIONEA-LBPRGKRZSA-N 0 0 223.272 1.169 20 10 BDCDRN CN(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1 ZINC000040438235 641531593 /nfs/dbraw/zinc/53/15/93/641531593.db2.gz HWXHFFULNHIULV-UHFFFAOYSA-N 0 0 244.298 1.406 20 10 BDCDRN COc1cccc(CNC(=O)c2ccoc2)c1O ZINC000068488989 642777391 /nfs/dbraw/zinc/77/73/91/642777391.db2.gz GSVKBIOXHQAORK-UHFFFAOYSA-N 0 0 247.250 1.924 20 10 BDCDRN Cn1ccnc1CNCc1ccc2c(c1)CCO2 ZINC000071138869 643102140 /nfs/dbraw/zinc/10/21/40/643102140.db2.gz JMUPBGYVBJHARL-UHFFFAOYSA-N 0 0 243.310 1.645 20 10 BDCDRN CO[C@@H](C)C(=O)NCc1cccc(Cl)c1O ZINC000890758067 643343023 /nfs/dbraw/zinc/34/30/23/643343023.db2.gz QQTKKJDUESGZBM-ZETCQYMHSA-N 0 0 243.690 1.697 20 10 BDCDRN COC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000083367818 643441508 /nfs/dbraw/zinc/44/15/08/643441508.db2.gz YMLVWYFKTIYGOM-MRVPVSSYSA-N 0 0 240.259 1.425 20 10 BDCDRN Cn1ccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000160305901 643442441 /nfs/dbraw/zinc/44/24/41/643442441.db2.gz VUOGJPBPXSGNGW-YVMONPNESA-N 0 0 238.337 1.856 20 10 BDCDRN COCCCNC(=O)c1ccc(C)c(O)c1O ZINC000177660657 643495292 /nfs/dbraw/zinc/49/52/92/643495292.db2.gz VKQGEUIIYYXLOO-UHFFFAOYSA-N 0 0 239.271 1.173 20 10 BDCDRN COc1cccc(CNCc2cc(C)on2)c1O ZINC000044692282 643548124 /nfs/dbraw/zinc/54/81/24/643548124.db2.gz LEKYWKUZEBRXIA-UHFFFAOYSA-N 0 0 248.282 1.987 20 10 BDCDRN Cc1noc(C)c1C=C1SC(=S)NC1=O ZINC000192764496 644181812 /nfs/dbraw/zinc/18/18/12/644181812.db2.gz RCXHHWZJJMCNCD-CLTKARDFSA-N 0 0 240.309 1.780 20 10 BDCDRN Cc1ccc(O)c(CNCc2ncnn2C)c1 ZINC000080531752 644275621 /nfs/dbraw/zinc/27/56/21/644275621.db2.gz OXQAEOUHPXSVKC-UHFFFAOYSA-N 0 0 232.287 1.119 20 10 BDCDRN Cc1ccc(C(=O)OCCF)c(O)c1O ZINC000744909608 644571830 /nfs/dbraw/zinc/57/18/30/644571830.db2.gz JUTMYDYAZHDLLK-UHFFFAOYSA-N 0 0 214.192 1.533 20 10 BDCDRN O=C(NCc1ccccc1O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780449536 644730913 /nfs/dbraw/zinc/73/09/13/644730913.db2.gz COIMUKSBUQKVEN-UHTWSYAYSA-N 0 0 247.294 1.433 20 10 BDCDRN CC(=O)C(=O)COC(=O)/C=C(\C)C1CC1 ZINC000808506452 644883174 /nfs/dbraw/zinc/88/31/74/644883174.db2.gz LPQYEXUWFBIAKS-FNORWQNLSA-N 0 0 210.229 1.044 20 10 BDCDRN CCC/C(C)=C\C(=O)OCC(=O)C(C)=O ZINC000808509513 644883360 /nfs/dbraw/zinc/88/33/60/644883360.db2.gz PQGYDTUDURIDNF-VURMDHGXSA-N 0 0 212.245 1.434 20 10 BDCDRN COc1cccc(CNC(=O)[C@@H]2CC23CC3)c1O ZINC000817550182 644987392 /nfs/dbraw/zinc/98/73/92/644987392.db2.gz SMWCTROZRYBKLY-JTQLQIEISA-N 0 0 247.294 1.817 20 10 BDCDRN C[C@H](NC(=O)c1cnnn1C)c1ccccc1O ZINC000827964877 645090140 /nfs/dbraw/zinc/09/01/40/645090140.db2.gz YOWKDBFAZOGEHQ-QMMMGPOBSA-N 0 0 246.270 1.012 20 10 BDCDRN C[C@@H]([NH2+][C@H]1CNOC1)c1ccc(F)cc1[O-] ZINC000925868125 646520496 /nfs/dbraw/zinc/52/04/96/646520496.db2.gz AOVGHYKYASMMHG-APPZFPTMSA-N 0 0 226.251 1.085 20 10 BDCDRN CC[C@@](C)(O)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703215518 712068346 /nfs/dbraw/zinc/06/83/46/712068346.db2.gz UVBKGUWCKIXTLN-GFCCVEGCSA-N 0 0 245.269 1.921 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCCO ZINC000708393428 712191937 /nfs/dbraw/zinc/19/19/37/712191937.db2.gz DUWQJRNZXVQJPO-UHFFFAOYSA-N 0 0 231.242 1.533 20 10 BDCDRN C[C@H]1OCCN(C(=O)Nc2ccc(N)cc2)[C@@H]1C ZINC000380584698 712901738 /nfs/dbraw/zinc/90/17/38/712901738.db2.gz ZHTRAVQSTHUXEM-NXEZZACHSA-N 0 0 249.314 1.910 20 10 BDCDRN C[C@H]1COCC[C@@H]1C(=O)NCc1ccccc1O ZINC000385347726 711011250 /nfs/dbraw/zinc/01/12/50/711011250.db2.gz KVZFUZJZTAJMLJ-JQWIXIFHSA-N 0 0 249.310 1.681 20 10 BDCDRN Cn1cnc(C[NH2+]Cc2ccccc2O)c1 ZINC000381230757 710610785 /nfs/dbraw/zinc/61/07/85/710610785.db2.gz KUWSFNQICHMMIT-UHFFFAOYSA-N 0 0 217.272 1.416 20 10 BDCDRN C/C=C(/C)C(=O)NCCc1ccc(N)cc1 ZINC000236709170 711713687 /nfs/dbraw/zinc/71/36/87/711713687.db2.gz PDWYYUDGWICHFZ-KMKOMSMNSA-N 0 0 218.300 1.894 20 10 BDCDRN CCC(F)(F)C(=O)NCCc1ccc(N)cc1 ZINC000701200772 712017850 /nfs/dbraw/zinc/01/78/50/712017850.db2.gz RNBUEDDOHVWFRC-UHFFFAOYSA-N 0 0 242.269 1.973 20 10 BDCDRN Cc1nonc1CN(C)c1ccc(N)cc1 ZINC000702075918 712038001 /nfs/dbraw/zinc/03/80/01/712038001.db2.gz GZZLMXNHAMWWHZ-UHFFFAOYSA-N 0 0 218.260 1.597 20 10 BDCDRN C[C@H](O)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703216825 712068384 /nfs/dbraw/zinc/06/83/84/712068384.db2.gz ZWNGYWAPISCYIS-QMMMGPOBSA-N 0 0 245.269 1.921 20 10 BDCDRN [O-]c1c(C[NH2+]CCCCO)ccc(F)c1F ZINC000703330311 712070488 /nfs/dbraw/zinc/07/04/88/712070488.db2.gz VQRCEWSZWJUFEX-UHFFFAOYSA-N 0 0 231.242 1.533 20 10 BDCDRN C[C@H](CCO)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703340002 712072786 /nfs/dbraw/zinc/07/27/86/712072786.db2.gz HIHYQCMJEPVONF-SSDOTTSWSA-N 0 0 231.242 1.531 20 10 BDCDRN C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703395267 712075063 /nfs/dbraw/zinc/07/50/63/712075063.db2.gz QFNAEXPTZDRAFE-YUMQZZPRSA-N 0 0 245.269 1.919 20 10 BDCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCOC1 ZINC000703489203 712077083 /nfs/dbraw/zinc/07/70/83/712077083.db2.gz FBWFJXAHXVHPMC-SECBINFHSA-N 0 0 243.253 1.891 20 10 BDCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000708438149 712194839 /nfs/dbraw/zinc/19/48/39/712194839.db2.gz VIFAMMOPPXTNMH-GVJMRKKJSA-N 0 0 243.253 1.531 20 10 BDCDRN C[C@@H](O)CN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000709493296 712222993 /nfs/dbraw/zinc/22/29/93/712222993.db2.gz XBLYPGWYKVFNAZ-SECBINFHSA-N 0 0 249.314 1.646 20 10 BDCDRN Nc1ccc(CC(=O)N[C@@H]2CC23CC3)cc1 ZINC000715666478 712530422 /nfs/dbraw/zinc/53/04/22/712530422.db2.gz VKLHPTTVXJNTAW-LLVKDONJSA-N 0 0 216.284 1.480 20 10 BDCDRN CCC1(C(=O)NCc2cc(C)ccc2O)COC1 ZINC000862757739 712619223 /nfs/dbraw/zinc/61/92/23/712619223.db2.gz CZTIOTXHSNVBOP-UHFFFAOYSA-N 0 0 249.310 1.743 20 10 BDCDRN CN(C)c1ccc(CNCc2nncn2C)cc1 ZINC000037988969 712796161 /nfs/dbraw/zinc/79/61/61/712796161.db2.gz RCHZEVVIBOTYSG-UHFFFAOYSA-N 0 0 245.330 1.171 20 10 BDCDRN Nc1ccc(CC(=O)NC[C@H]2CCCOC2)cc1 ZINC000038046091 712803078 /nfs/dbraw/zinc/80/30/78/712803078.db2.gz JFIZKFAXWXVGSX-GFCCVEGCSA-N 0 0 248.326 1.354 20 10 BDCDRN 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BDCDRN Nc1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000062192578 385166466 /nfs/dbraw/zinc/16/64/66/385166466.db2.gz MYVQBBZNGRWRTK-VIFPVBQESA-N 0 0 220.272 1.634 20 10 BDCDRN COC(=O)CN(Cc1ccccc1O)C(C)C ZINC000179559582 385474711 /nfs/dbraw/zinc/47/47/11/385474711.db2.gz VHZWMVFRETZCIR-UHFFFAOYSA-N 0 0 237.299 1.776 20 10 BDCDRN CON(C)C(=O)NCc1ccc2c(c1)CCN2C ZINC000365182299 385631055 /nfs/dbraw/zinc/63/10/55/385631055.db2.gz YLOOBCPINJQUGT-UHFFFAOYSA-N 0 0 249.314 1.382 20 10 BDCDRN CN(CC(=O)N1CCC1)c1ccc2c(c1)OCO2 ZINC000270139127 385674345 /nfs/dbraw/zinc/67/43/45/385674345.db2.gz ICWQQJHXIZSSOF-UHFFFAOYSA-N 0 0 248.282 1.084 20 10 BDCDRN C[C@H](CO)CCC[NH2+]Cc1ccccc1O ZINC000230161387 385714747 /nfs/dbraw/zinc/71/47/47/385714747.db2.gz KHWLMAUGZHFKHA-NSHDSACASA-N 0 0 223.316 1.890 20 10 BDCDRN COC[C@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000183634054 385782003 /nfs/dbraw/zinc/78/20/03/385782003.db2.gz KRTACYMXVCXYSE-GHMZBOCLSA-N 0 0 239.315 1.440 20 10 BDCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H]1C ZINC000294043997 385793539 /nfs/dbraw/zinc/79/35/39/385793539.db2.gz KHMVLFXUWZAZJE-SFYZADRCSA-N 0 0 221.256 1.578 20 10 BDCDRN CC1(C)C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000272348357 385896387 /nfs/dbraw/zinc/89/63/87/385896387.db2.gz QBUTZUZPCFPHKX-VIFPVBQESA-N 0 0 235.283 1.760 20 10 BDCDRN CC(C)[C@@H](O)C(=O)N(C)Cc1ccccc1O ZINC000285563537 385943496 /nfs/dbraw/zinc/94/34/96/385943496.db2.gz GAIBCFRQMJEYPB-GFCCVEGCSA-N 0 0 237.299 1.368 20 10 BDCDRN Cc1ccc(C(=O)NOC(C)C)c(O)c1O ZINC000297277402 386238137 /nfs/dbraw/zinc/23/81/37/386238137.db2.gz SMVPAXXOZKDSOR-UHFFFAOYSA-N 0 0 225.244 1.476 20 10 BDCDRN Cc1ccc(O)c(CN[C@]2(C)CCOC2=O)c1 ZINC000289840667 386362365 /nfs/dbraw/zinc/36/23/65/386362365.db2.gz OXQACPOZKJRCRW-CYBMUJFWSA-N 0 0 235.283 1.496 20 10 BDCDRN C[C@@H](NC(=O)NCc1ccccc1O)C1CC1 ZINC000298355079 386330023 /nfs/dbraw/zinc/33/00/23/386330023.db2.gz HRDBDLRSTGPRQL-SECBINFHSA-N 0 0 234.299 1.990 20 10 BDCDRN COC(=O)c1ccc(OCC(=O)C(C)=O)cc1 ZINC000289590533 386333599 /nfs/dbraw/zinc/33/35/99/386333599.db2.gz JJCKJMHZSFCTGH-UHFFFAOYSA-N 0 0 236.223 1.010 20 10 BDCDRN C[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000276518767 386338074 /nfs/dbraw/zinc/33/80/74/386338074.db2.gz CDCJZCXJLHGFMO-IYSWYEEDSA-N 0 0 225.219 1.375 20 10 BDCDRN C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187813573 386602633 /nfs/dbraw/zinc/60/26/33/386602633.db2.gz ONJAIXBLYYSIQM-BQBZGAKWSA-N 0 0 231.242 1.702 20 10 BDCDRN CC(=O)C(=O)CSc1ccncc1C ZINC000292880462 386741220 /nfs/dbraw/zinc/74/12/20/386741220.db2.gz VNKPIHUPIDCXCV-UHFFFAOYSA-N 0 0 209.270 1.640 20 10 BDCDRN CO[C@@H](C(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000280384992 386812152 /nfs/dbraw/zinc/81/21/52/386812152.db2.gz MVYZCUQTBRFYIX-CYBMUJFWSA-N 0 0 249.310 1.776 20 10 BDCDRN CCOc1ccc(O)c(CN2CCO[C@H]3C[C@H]32)c1 ZINC000366554800 386830481 /nfs/dbraw/zinc/83/04/81/386830481.db2.gz CFIRKGOSTHLVRM-OCCSQVGLSA-N 0 0 249.310 1.764 20 10 BDCDRN CN(CCC1CC1)C(=O)c1cccc(O)c1O ZINC000193143854 387268347 /nfs/dbraw/zinc/26/83/47/387268347.db2.gz SPDLKLRSEQOJCR-UHFFFAOYSA-N 0 0 235.283 1.970 20 10 BDCDRN CO[C@H](C)C(=O)NCc1ccccc1O ZINC000136333816 388530247 /nfs/dbraw/zinc/53/02/47/388530247.db2.gz BZMINBDNKSGFSD-MRVPVSSYSA-N 0 0 209.245 1.043 20 10 BDCDRN CCN(CC(=O)OC)Cc1cccc(C)c1O ZINC000271723822 397971542 /nfs/dbraw/zinc/97/15/42/397971542.db2.gz KUVYXRCFMCTHEL-UHFFFAOYSA-N 0 0 237.299 1.696 20 10 BDCDRN CC(C)CN(C)C(=O)c1c(F)ccc(O)c1O ZINC000277325504 166935118 /nfs/dbraw/zinc/93/51/18/166935118.db2.gz CNXMHQOTGVOCNX-UHFFFAOYSA-N 0 0 241.262 1.965 20 10 BDCDRN CC(C)OCCNC(=O)c1cccc(O)c1O ZINC000126541220 167241540 /nfs/dbraw/zinc/24/15/40/167241540.db2.gz PEZYRVTUQXBAPP-UHFFFAOYSA-N 0 0 239.271 1.253 20 10 BDCDRN CCOCC(=O)NCc1ccc2c(c1)CCN2C ZINC000369963085 170345408 /nfs/dbraw/zinc/34/54/08/170345408.db2.gz BWVCGOKPXJSUQJ-UHFFFAOYSA-N 0 0 248.326 1.332 20 10 BDCDRN CN(C)c1ccc(CNc2ncn(C)n2)cc1 ZINC000292328159 172554397 /nfs/dbraw/zinc/55/43/97/172554397.db2.gz CKYAOIBQYZPGGK-UHFFFAOYSA-N 0 0 231.303 1.493 20 10 BDCDRN CN(Cc1ccn(C)n1)c1ccc2c(c1)OCO2 ZINC000271891070 172896969 /nfs/dbraw/zinc/89/69/69/172896969.db2.gz DWDYYMWDGVQQKS-UHFFFAOYSA-N 0 0 245.282 1.785 20 10 BDCDRN CN1CC[C@H](Sc2nccs2)C1=O ZINC000265218939 173156301 /nfs/dbraw/zinc/15/63/01/173156301.db2.gz RKNNBQDOSWZGRK-LURJTMIESA-N 0 0 214.315 1.466 20 10 BDCDRN CN1CCc2cc(CNC(=O)C(C)(C)O)ccc21 ZINC000365174912 173170317 /nfs/dbraw/zinc/17/03/17/173170317.db2.gz FDLWUXVZLACYQT-UHFFFAOYSA-N 0 0 248.326 1.066 20 10 BDCDRN CNC(=O)C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294214456 173277622 /nfs/dbraw/zinc/27/76/22/173277622.db2.gz LMGZCXRXMNBAKL-UHFFFAOYSA-N 0 0 246.669 1.020 20 10 BDCDRN COCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744696 174338312 /nfs/dbraw/zinc/33/83/12/174338312.db2.gz STNRTYCKGNRJTQ-QMMMGPOBSA-N 0 0 213.252 1.828 20 10 BDCDRN COCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000081704194 174380589 /nfs/dbraw/zinc/38/05/89/174380589.db2.gz GZPSTYIUYAGJLW-SNVBAGLBSA-N 0 0 236.315 1.353 20 10 BDCDRN COc1ccc(CN[C@]2(C)CCOC2=O)cc1C ZINC000289890264 175112702 /nfs/dbraw/zinc/11/27/02/175112702.db2.gz SOVQAOMUSUEROO-CQSZACIVSA-N 0 0 249.310 1.799 20 10 BDCDRN COc1cccc(CNc2ncc(F)cn2)c1O ZINC000301756583 175268976 /nfs/dbraw/zinc/26/89/76/175268976.db2.gz DSOFJPAUXXUKGV-UHFFFAOYSA-N 0 0 249.245 1.942 20 10 BDCDRN C[C@@H](Sc1nccs1)C(=O)N(C)C ZINC000299045151 176010559 /nfs/dbraw/zinc/01/05/59/176010559.db2.gz NZSIFDCRWFHASX-ZCFIWIBFSA-N 0 0 216.331 1.712 20 10 BDCDRN C[C@@H]1CN(CCSc2nccs2)CCO1 ZINC000188301841 176292414 /nfs/dbraw/zinc/29/24/14/176292414.db2.gz UQZFLIUHNPCBSL-SECBINFHSA-N 0 0 244.385 1.956 20 10 BDCDRN C[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000128522173 176337053 /nfs/dbraw/zinc/33/70/53/176337053.db2.gz NETLLESPOXMQHK-GFCCVEGCSA-N 0 0 234.343 1.973 20 10 BDCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccccc2O)CCO1 ZINC000271910516 176359130 /nfs/dbraw/zinc/35/91/30/176359130.db2.gz ZBWBPGVRAFXHSS-MNOVXSKESA-N 0 0 249.310 1.824 20 10 BDCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 ZINC000163272699 177154298 /nfs/dbraw/zinc/15/42/98/177154298.db2.gz OIYDUBINBJAPOG-QMMMGPOBSA-N 0 0 221.256 1.580 20 10 BDCDRN C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000277914998 177295482 /nfs/dbraw/zinc/29/54/82/177295482.db2.gz PQNYJUPRZUSKRM-JQWIXIFHSA-N 0 0 221.300 1.907 20 10 BDCDRN CN(C(=O)/C=C/c1cccnc1)c1cnn(C)c1 ZINC000173182601 229339724 /nfs/dbraw/zinc/33/97/24/229339724.db2.gz CIXKFUVVMQDYHE-AATRIKPKSA-N 0 0 242.282 1.491 20 10 BDCDRN COCC1(NC(=O)C2=CC(=O)CS2)CC1 ZINC000807660624 586447774 /nfs/dbraw/zinc/44/77/74/586447774.db2.gz FDJYOMZLSGRGBS-UHFFFAOYSA-N 0 0 227.285 1.363 20 10 BDCDRN Cc1nnc(CN(C)Cc2ccccc2O)n1C ZINC000111235191 588731541 /nfs/dbraw/zinc/73/15/41/588731541.db2.gz XBHFVUXVEOTJMA-UHFFFAOYSA-N 0 0 246.314 1.461 20 10 BDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NN1CCCC1 ZINC000854328388 588784474 /nfs/dbraw/zinc/78/44/74/588784474.db2.gz YHZBEXGIMQDKQG-GQCTYLIASA-N 0 0 248.282 1.238 20 10 BDCDRN O=C(NCCC1(CO)CC1)C1=CC(=O)CS1 ZINC000854845986 588813232 /nfs/dbraw/zinc/81/32/32/588813232.db2.gz LBLZWEPBQURTQQ-UHFFFAOYSA-N 0 0 241.312 1.346 20 10 BDCDRN CC(C)[C@H](CO)ONC(=O)C1=CC(=O)CS1 ZINC000854830823 588812576 /nfs/dbraw/zinc/81/25/76/588812576.db2.gz XOIJNSRLNAVTSV-QMMMGPOBSA-N 0 0 245.300 1.132 20 10 BDCDRN COCc1nc(Sc2nccs2)n[nH]1 ZINC000892928200 583011419 /nfs/dbraw/zinc/01/14/19/583011419.db2.gz BKDFOEORXLJKCB-UHFFFAOYSA-N 0 0 228.302 1.559 20 10 BDCDRN C[NH2+]C[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000854231722 583083441 /nfs/dbraw/zinc/08/34/41/583083441.db2.gz KSAWDYFCXHIHRK-YUMQZZPRSA-N 0 0 244.285 1.929 20 10 BDCDRN C[N@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893870750 583235444 /nfs/dbraw/zinc/23/54/44/583235444.db2.gz GEGOBDGKJMSYSP-UHFFFAOYSA-N 0 0 217.215 1.095 20 10 BDCDRN CC1(C(=O)NCc2ccccc2O)CCOCC1 ZINC000726798625 583375959 /nfs/dbraw/zinc/37/59/59/583375959.db2.gz GZNCSIXSPSQBJI-UHFFFAOYSA-N 0 0 249.310 1.825 20 10 BDCDRN C[C@@H](O)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894450279 583462271 /nfs/dbraw/zinc/46/22/71/583462271.db2.gz HELPOFBMFRLNBW-SSDOTTSWSA-N 0 0 231.242 1.483 20 10 BDCDRN Cc1ncc(C[NH2+]Cc2c([O-])cccc2F)n1C ZINC000896639506 583819685 /nfs/dbraw/zinc/81/96/85/583819685.db2.gz VQBFZCASJWTICC-UHFFFAOYSA-N 0 0 249.289 1.863 20 10 BDCDRN Cc1noc([C@@H](C)NCc2ccccc2O)n1 ZINC000729684954 584022612 /nfs/dbraw/zinc/02/26/12/584022612.db2.gz YTFPXCIDFURLQN-MRVPVSSYSA-N 0 0 233.271 1.934 20 10 BDCDRN Cc1cccc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898045635 584073831 /nfs/dbraw/zinc/07/38/31/584073831.db2.gz QHZNQSSYFSHKOP-UHFFFAOYSA-N 0 0 231.299 1.724 20 10 BDCDRN C[C@H](NC(=O)[C@H]1C[C@H](C)CO1)c1ccccc1O ZINC000899181592 584179446 /nfs/dbraw/zinc/17/94/46/584179446.db2.gz GOQRNMPMFULRJJ-OUJBWJOFSA-N 0 0 249.310 1.994 20 10 BDCDRN COc1cccc(CNC(=O)CCF)c1O ZINC000901127858 584387697 /nfs/dbraw/zinc/38/76/97/584387697.db2.gz NMGPHQQPLXBFTP-UHFFFAOYSA-N 0 0 227.235 1.377 20 10 BDCDRN CN(Cc1ccccc1O)C(=O)OCCF ZINC000859004760 588990035 /nfs/dbraw/zinc/99/00/35/588990035.db2.gz YKOKWQDQHMKBLR-UHFFFAOYSA-N 0 0 227.235 1.930 20 10 BDCDRN CC[C@@H]([NH2+]CCCON)c1ccc(F)cc1[O-] ZINC000902415223 584589540 /nfs/dbraw/zinc/58/95/40/584589540.db2.gz LMTFZTZISYJCGM-LLVKDONJSA-N 0 0 242.294 1.852 20 10 BDCDRN Cc1ncc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000732286057 584935795 /nfs/dbraw/zinc/93/57/95/584935795.db2.gz OHLTVFPQJLSMRB-UHFFFAOYSA-N 0 0 235.268 1.804 20 10 BDCDRN CC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000732354475 584936257 /nfs/dbraw/zinc/93/62/57/584936257.db2.gz NFAMUXFBAPGALA-ZCFIWIBFSA-N 0 0 214.242 1.588 20 10 BDCDRN CC(C)(C)[C@H](O)C(=O)NCc1ccccc1O ZINC000735855406 584982701 /nfs/dbraw/zinc/98/27/01/584982701.db2.gz CDRKSLLPZCANEB-LLVKDONJSA-N 0 0 237.299 1.415 20 10 BDCDRN COC1CN(Cc2cc(C)ccc2O)C1 ZINC000839129056 585093801 /nfs/dbraw/zinc/09/38/01/585093801.db2.gz VXNNQHQZDXFRGJ-UHFFFAOYSA-N 0 0 207.273 1.531 20 10 BDCDRN COC[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000740128253 585094323 /nfs/dbraw/zinc/09/43/23/585094323.db2.gz MWBJDYGPZPEISK-MRVPVSSYSA-N 0 0 241.312 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587413703 /nfs/dbraw/zinc/41/37/03/587413703.db2.gz CDRIJMOHVKJBPS-VIFPVBQESA-N 0 0 237.299 1.730 20 10 BDCDRN C[C@H](NC(=O)C[C@@H]1CCOC1)c1ccccc1O ZINC000827973224 587413823 /nfs/dbraw/zinc/41/38/23/587413823.db2.gz LIGQNYJJKFIONR-QWRGUYRKSA-N 0 0 249.310 1.996 20 10 BDCDRN COCCCC(=O)N[C@@H](C)c1ccccc1O ZINC000827982535 587415103 /nfs/dbraw/zinc/41/51/03/587415103.db2.gz XQYFRRGLEYZGHE-JTQLQIEISA-N 0 0 237.299 1.996 20 10 BDCDRN C[C@H](NC(=O)C1CCOCC1)c1ccccc1O ZINC000827985467 587415573 /nfs/dbraw/zinc/41/55/73/587415573.db2.gz KBBOPQADGMVCBG-JTQLQIEISA-N 0 0 249.310 1.996 20 10 BDCDRN CC1CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000830534975 587556478 /nfs/dbraw/zinc/55/64/78/587556478.db2.gz LHNHYQIOJMSXCU-UHFFFAOYSA-N 0 0 225.219 1.329 20 10 BDCDRN CO[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000832895021 587694709 /nfs/dbraw/zinc/69/47/09/587694709.db2.gz WBYOQCSSURTLSI-VIFPVBQESA-N 0 0 241.312 1.609 20 10 BDCDRN CN(CC[NH2+]Cc1cc(F)ccc1O)C(=O)[O-] ZINC000833873534 587737787 /nfs/dbraw/zinc/73/77/87/587737787.db2.gz YXDHOLBNEWFOMQ-UHFFFAOYSA-N 0 0 242.250 1.231 20 10 BDCDRN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)cc(F)c1[O-] ZINC000834905796 587770232 /nfs/dbraw/zinc/77/02/32/587770232.db2.gz LJEXDUAEJVWNTA-VDAHYXPESA-N 0 0 243.253 1.844 20 10 BDCDRN CN(C)c1ccc(/C=C\C[NH2+]CCO)cc1 ZINC000835041870 587779353 /nfs/dbraw/zinc/77/93/53/587779353.db2.gz BFIRIONMWIGBBD-ARJAWSKDSA-N 0 0 220.316 1.348 20 10 BDCDRN C[C@H](OCC1CC1)C(=O)NCc1ccc(N)cc1 ZINC000837303346 587864646 /nfs/dbraw/zinc/86/46/46/587864646.db2.gz IEXSJHMIXWVJGX-JTQLQIEISA-N 0 0 248.326 1.700 20 10 BDCDRN CCO/C=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000841017157 587935213 /nfs/dbraw/zinc/93/52/13/587935213.db2.gz ATRPXHNUPCPZRQ-KTKRTIGZSA-N 0 0 248.326 1.919 20 10 BDCDRN Oc1ccc(F)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036732 587937745 /nfs/dbraw/zinc/93/77/45/587937745.db2.gz WSJXDDVLCGUSGD-LLVKDONJSA-N 0 0 224.279 1.373 20 10 BDCDRN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000842912090 588071318 /nfs/dbraw/zinc/07/13/18/588071318.db2.gz QFSQDXWWDBEWHG-IRUJWGPZSA-N 0 0 237.299 1.457 20 10 BDCDRN C[C@H](C[NH3+])N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050857 588076606 /nfs/dbraw/zinc/07/66/06/588076606.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 0 0 246.713 1.964 20 10 BDCDRN CN(Cc1cccc(Cl)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843049327 588076742 /nfs/dbraw/zinc/07/67/42/588076742.db2.gz KLTQLDXBGFFFEQ-SNVBAGLBSA-N 0 0 240.734 1.839 20 10 BDCDRN COCCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843158711 588087958 /nfs/dbraw/zinc/08/79/58/588087958.db2.gz HSHLCRXCSZAJBK-UHFFFAOYSA-N 0 0 247.298 1.822 20 10 BDCDRN COc1ccc(N(C)C[C@H]2COCCO2)cc1 ZINC000844354889 588187228 /nfs/dbraw/zinc/18/72/28/588187228.db2.gz JVQQIMRVUWANHG-ZDUSSCGKSA-N 0 0 237.299 1.547 20 10 BDCDRN COc1cccc(CNC(=O)c2cn[nH]c2)c1O ZINC000105651380 588218770 /nfs/dbraw/zinc/21/87/70/588218770.db2.gz RLYMBOWCFNSWIA-UHFFFAOYSA-N 0 0 247.254 1.054 20 10 BDCDRN CNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849077405 588452393 /nfs/dbraw/zinc/45/23/93/588452393.db2.gz GONCTEYQUABIMA-UHFFFAOYSA-N 0 0 248.113 1.943 20 10 BDCDRN Cc1cc(O)c([C@H]2NC(=O)CN2C)cc1Cl ZINC000849184112 588460352 /nfs/dbraw/zinc/46/03/52/588460352.db2.gz YGIFVRXPNUJVMJ-NSHDSACASA-N 0 0 240.690 1.414 20 10 BDCDRN COc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)cc1C ZINC000849231650 588463741 /nfs/dbraw/zinc/46/37/41/588463741.db2.gz DYUHUUISDOLBEZ-HAQNSBGRSA-N 0 0 249.310 1.956 20 10 BDCDRN CC(C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772627 588592419 /nfs/dbraw/zinc/59/24/19/588592419.db2.gz CVGAPZSDMGHDKM-UHFFFAOYSA-N 0 0 236.315 1.349 20 10 BDCDRN C/C=C\CNC(=O)NCCc1ccc(N)cc1 ZINC000861639476 589171992 /nfs/dbraw/zinc/17/19/92/589171992.db2.gz CVXYHVMDPPHJIQ-IHWYPQMZSA-N 0 0 233.315 1.687 20 10 BDCDRN Cc1noc(C(=O)NCc2cc(C)ccc2O)n1 ZINC000862755717 589237565 /nfs/dbraw/zinc/23/75/65/589237565.db2.gz KERYXQWWTNIERU-UHFFFAOYSA-N 0 0 247.254 1.322 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@@H](O)C2CC2)c1 ZINC000862755382 589237613 /nfs/dbraw/zinc/23/76/13/589237613.db2.gz GGKVOYQCJLIBGF-LBPRGKRZSA-N 0 0 235.283 1.088 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)c1 ZINC000862754230 589237671 /nfs/dbraw/zinc/23/76/71/589237671.db2.gz VFCJAADMRZWTOI-PJXYFTJBSA-N 0 0 247.294 1.209 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C(F)F)c1 ZINC000862761318 589237776 /nfs/dbraw/zinc/23/77/76/589237776.db2.gz NQSBSTOIPAHUEV-UHFFFAOYSA-N 0 0 215.199 1.582 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C2CC2)c1 ZINC000862761768 589237936 /nfs/dbraw/zinc/23/79/36/589237936.db2.gz WYNGXDDMSKTQOA-UHFFFAOYSA-N 0 0 205.257 1.727 20 10 BDCDRN CC(=O)C(=O)CS[C@H]1COC(C)(C)C1 ZINC000863353316 589282335 /nfs/dbraw/zinc/28/23/35/589282335.db2.gz AFFGCUHLVKJFKZ-MRVPVSSYSA-N 0 0 216.302 1.445 20 10 BDCDRN C[C@H]([NH3+])CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652950 589307358 /nfs/dbraw/zinc/30/73/58/589307358.db2.gz ZXWVZMVVQYWXCI-ZETCQYMHSA-N 0 0 246.713 1.964 20 10 BDCDRN C[C@@H]([NH3+])CN(C)Cc1cccc(F)c1O ZINC000863652889 589307665 /nfs/dbraw/zinc/30/76/65/589307665.db2.gz XYPWNIQCKLHGEQ-MRVPVSSYSA-N 0 0 212.268 1.310 20 10 BDCDRN CCc1csc(SCC(=O)C(C)=O)n1 ZINC000865386704 589430663 /nfs/dbraw/zinc/43/06/63/589430663.db2.gz OWCWVLORNIYIKR-UHFFFAOYSA-N 0 0 229.326 1.956 20 10 BDCDRN Cc1nc(N)nc(N(C)Cc2ccccc2O)n1 ZINC000865646803 589454043 /nfs/dbraw/zinc/45/40/43/589454043.db2.gz FFJOPXHHYNNMBX-UHFFFAOYSA-N 0 0 245.286 1.104 20 10 BDCDRN O=C(c1cccc(O)c1O)N1CC[C@H]1C(F)F ZINC000868606356 589567456 /nfs/dbraw/zinc/56/74/56/589567456.db2.gz RYZQFTWCEKOAMN-ZETCQYMHSA-N 0 0 243.209 1.577 20 10 BDCDRN C[C@H]([NH2+]CC1(CO)CC1)c1ccc(F)cc1[O-] ZINC000122314806 589577800 /nfs/dbraw/zinc/57/78/00/589577800.db2.gz ZHGYSMUBAVMVGD-VIFPVBQESA-N 0 0 239.290 1.954 20 10 BDCDRN CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)COC1 ZINC000870664775 589681052 /nfs/dbraw/zinc/68/10/52/589681052.db2.gz YKQDAHWCNQMPLC-HWKANZROSA-N 0 0 249.266 1.016 20 10 BDCDRN COC/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 ZINC000871205890 589745074 /nfs/dbraw/zinc/74/50/74/589745074.db2.gz MZJFQLMVBKYEMX-UXBLZVDNSA-N 0 0 247.294 1.827 20 10 BDCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CC2)cc1 ZINC000873915279 590078753 /nfs/dbraw/zinc/07/87/53/590078753.db2.gz DDLYULRSGGDGFT-UHFFFAOYSA-N 0 0 246.270 1.989 20 10 BDCDRN [O-]c1c(C[N@@H+](CCO)C2CC2)ccc(F)c1F ZINC000876579306 590217059 /nfs/dbraw/zinc/21/70/59/590217059.db2.gz DKXYPYOGXQTNKP-UHFFFAOYSA-N 0 0 243.253 1.627 20 10 BDCDRN Cc1cccc(O)c1CN1CCS(=O)CC1 ZINC000876692991 590231075 /nfs/dbraw/zinc/23/10/75/590231075.db2.gz LXBFUYSJYKDRAR-UHFFFAOYSA-N 0 0 239.340 1.265 20 10 BDCDRN Cn1cc(NC(=O)c2cccc(O)c2O)cn1 ZINC000126257067 590261681 /nfs/dbraw/zinc/26/16/81/590261681.db2.gz RYPZYYZFDDGVEL-UHFFFAOYSA-N 0 0 233.227 1.084 20 10 BDCDRN Cn1nccc1NC(=O)c1cccc(O)c1O ZINC000126353751 590287487 /nfs/dbraw/zinc/28/74/87/590287487.db2.gz RCBQAQFUJMMMEE-UHFFFAOYSA-N 0 0 233.227 1.084 20 10 BDCDRN Cc1ccc(C[N@@H+](C)C[C@@H](C)O)c(O)c1 ZINC000877320679 590315686 /nfs/dbraw/zinc/31/56/86/590315686.db2.gz QEBVBNOJXLNNDX-SNVBAGLBSA-N 0 0 209.289 1.513 20 10 BDCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)C(F)F ZINC000877455511 590330915 /nfs/dbraw/zinc/33/09/15/590330915.db2.gz KNDQXUIRUVLEAR-JTQLQIEISA-N 0 0 242.269 1.971 20 10 BDCDRN C[C@@H](CNC(=O)c1cccc(O)c1O)C1CC1 ZINC000126545241 590335541 /nfs/dbraw/zinc/33/55/41/590335541.db2.gz FUMLWNLMPRGMBC-QMMMGPOBSA-N 0 0 235.283 1.874 20 10 BDCDRN CCn1ncnc1CNCc1ccc(C)cc1O ZINC000877491500 590339821 /nfs/dbraw/zinc/33/98/21/590339821.db2.gz KOLMRPHQBQMZLF-UHFFFAOYSA-N 0 0 246.314 1.602 20 10 BDCDRN Cc1ccc(CN2CC(=O)NCC2(C)C)c(O)c1 ZINC000877501398 590341853 /nfs/dbraw/zinc/34/18/53/590341853.db2.gz OIQYTSDBOLSSOU-UHFFFAOYSA-N 0 0 248.326 1.411 20 10 BDCDRN CN(C)c1ccc(/C=C/CN2CC(C)(O)C2)cc1 ZINC000877581311 590365986 /nfs/dbraw/zinc/36/59/86/590365986.db2.gz WFYFEYVLZZCCMX-SNAWJCMRSA-N 0 0 246.354 1.832 20 10 BDCDRN Cc1ccc(CN2CCO[C@@H](CF)C2)c(O)c1 ZINC000877586495 590367707 /nfs/dbraw/zinc/36/77/07/590367707.db2.gz HLPXCYNIOKIFOK-LBPRGKRZSA-N 0 0 239.290 1.871 20 10 BDCDRN Cc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(O)c1 ZINC000877631956 590378058 /nfs/dbraw/zinc/37/80/58/590378058.db2.gz WYGLDQQNFKNEPI-GXTWGEPZSA-N 0 0 233.311 1.657 20 10 BDCDRN Cc1ccc(O)c(CN2Cc3cnn(C)c3C2)c1 ZINC000877632928 590378570 /nfs/dbraw/zinc/37/85/70/590378570.db2.gz RUBUXVDADNFNBK-UHFFFAOYSA-N 0 0 243.310 1.950 20 10 BDCDRN Cc1c[nH]nc1NC(=O)c1cccc(O)c1O ZINC000126649427 590392212 /nfs/dbraw/zinc/39/22/12/590392212.db2.gz RRZKGVMRULBCDW-UHFFFAOYSA-N 0 0 233.227 1.382 20 10 BDCDRN CCOc1ccc(N(CC(N)=O)CC2CC2)cc1 ZINC000879119811 590699249 /nfs/dbraw/zinc/69/92/49/590699249.db2.gz TZZXBCFQNTYGRT-UHFFFAOYSA-N 0 0 248.326 1.787 20 10 BDCDRN CCN1CC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000882486604 591362528 /nfs/dbraw/zinc/36/25/28/591362528.db2.gz NABNGVJHMNYTQA-MRVPVSSYSA-N 0 0 240.328 1.278 20 10 BDCDRN CCOC(=O)C[C@@H](O)CSc1nccs1 ZINC000135001468 591971803 /nfs/dbraw/zinc/97/18/03/591971803.db2.gz DCMANOLPJFKWST-SSDOTTSWSA-N 0 0 247.341 1.549 20 10 BDCDRN COC[C@@H](CO)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886604923 592274867 /nfs/dbraw/zinc/27/48/67/592274867.db2.gz GELUGBFLSDQFBL-RKDXNWHRSA-N 0 0 243.278 1.189 20 10 BDCDRN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1c([O-])cccc1F ZINC000886621905 592277240 /nfs/dbraw/zinc/27/72/40/592277240.db2.gz FVEWUDVJLUXPCT-HLTSFMKQSA-N 0 0 225.263 1.705 20 10 BDCDRN C[C@@H]([NH2+][C@H](CO)CCF)c1c([O-])cccc1F ZINC000886632758 592283328 /nfs/dbraw/zinc/28/33/28/592283328.db2.gz DFWJNPMHJRFDEQ-BDAKNGLRSA-N 0 0 245.269 1.902 20 10 BDCDRN C[C@H]([NH2+][C@H]1CCNC1=O)c1c([O-])cccc1F ZINC000886634378 592284027 /nfs/dbraw/zinc/28/40/27/592284027.db2.gz COMVSQBMTUDGFS-CBAPKCEASA-N 0 0 238.262 1.070 20 10 BDCDRN C[N@H+](CC(=O)[O-])Cc1c(O)ccc2ccncc21 ZINC000739631458 597053590 /nfs/dbraw/zinc/05/35/90/597053590.db2.gz HGIPSMLTPBSRRH-UHFFFAOYSA-N 0 0 246.266 1.457 20 10 BDCDRN CCOc1ccc(C[NH2+][C@@H](C)C(=O)[O-])c(O)c1 ZINC000739508710 597303961 /nfs/dbraw/zinc/30/39/61/597303961.db2.gz XLXRFXRGQGBRSU-QMMMGPOBSA-N 0 0 239.271 1.354 20 10 BDCDRN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000086729589 598211713 /nfs/dbraw/zinc/21/17/13/598211713.db2.gz CPLUGEMCYWPPAX-LLVKDONJSA-N 0 0 235.283 1.831 20 10 BDCDRN C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2O)C1 ZINC000086779471 604788479 /nfs/dbraw/zinc/78/84/79/604788479.db2.gz VLLYLIIKPBRYSC-ZDUSSCGKSA-N 0 0 235.283 1.689 20 10 BDCDRN O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000236443032 605473635 /nfs/dbraw/zinc/47/36/35/605473635.db2.gz NVPRHXRPIHPKDL-SNVBAGLBSA-N 0 0 239.246 1.580 20 10 BDCDRN CO[C@H](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000310325524 635608144 /nfs/dbraw/zinc/60/81/44/635608144.db2.gz KONKLWSBXMJWAI-SECBINFHSA-N 0 0 237.303 1.815 20 10 BDCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](CO)C1CC1 ZINC000309528733 632468401 /nfs/dbraw/zinc/46/84/01/632468401.db2.gz CTCSXASJUHAYCC-NSHDSACASA-N 0 0 241.718 1.906 20 10 BDCDRN Nc1ccc(CC(=O)N[C@H]2CCCOCC2)cc1 ZINC000310893809 633016544 /nfs/dbraw/zinc/01/65/44/633016544.db2.gz ZQUKHOPNHAMNFA-ZDUSSCGKSA-N 0 0 248.326 1.497 20 10 BDCDRN Cc1cccc(CNCc2ccon2)c1O ZINC000162869459 633041396 /nfs/dbraw/zinc/04/13/96/633041396.db2.gz GSNBEPHCQRFDPI-UHFFFAOYSA-N 0 0 218.256 1.978 20 10 BDCDRN CC(C)[C@H](Sc1nccs1)C(N)=O ZINC000308135125 633181631 /nfs/dbraw/zinc/18/16/31/633181631.db2.gz DWRCOGQHCAJPMT-LURJTMIESA-N 0 0 216.331 1.745 20 10 BDCDRN CNC(=O)CSc1ncc(Cl)s1 ZINC000306758518 635975012 /nfs/dbraw/zinc/97/50/12/635975012.db2.gz OLSULYYHKNTDNA-UHFFFAOYSA-N 0 0 222.722 1.635 20 10 BDCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)CCO1 ZINC000928546026 636081280 /nfs/dbraw/zinc/08/12/80/636081280.db2.gz XEQNOBYPTWLMCY-QMMMGPOBSA-N 0 0 241.312 1.705 20 10 BDCDRN C[C@@H](C[NH3+])N(C)Cc1cccc(Cl)c1[O-] ZINC000309504505 633938206 /nfs/dbraw/zinc/93/82/06/633938206.db2.gz VOIKYISXMGILMJ-QMMMGPOBSA-N 0 0 228.723 1.825 20 10 BDCDRN C[C@H](O)CN1CCOc2cc(N(C)C)ccc21 ZINC000194952181 634342426 /nfs/dbraw/zinc/34/24/26/634342426.db2.gz HPFNYFMUHJKQAV-JTQLQIEISA-N 0 0 236.315 1.332 20 10 BDCDRN O=C(NCC(F)F)c1cccc(O)c1O ZINC000163275875 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ZINC000854270006 645502508 /nfs/dbraw/zinc/50/25/08/645502508.db2.gz CFGUSPIAJQVUEG-ZDUSSCGKSA-N 0 0 248.326 1.140 20 10 BDCDRN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(F)cc1[O-] ZINC000927149291 645571656 /nfs/dbraw/zinc/57/16/56/645571656.db2.gz YBRKJSHWYGBWAS-FXPVBKGRSA-N 0 0 239.290 1.953 20 10 BDCDRN O=C(C1=CC(=O)CS1)N1CCn2cccc2C1 ZINC000928959762 645915493 /nfs/dbraw/zinc/91/54/93/645915493.db2.gz WRSGQFHBOXQAOX-UHFFFAOYSA-N 0 0 248.307 1.911 20 10 BDCDRN Nc1ccc(NC(=O)NCCOCCF)cc1 ZINC000702622754 712056509 /nfs/dbraw/zinc/05/65/09/712056509.db2.gz NMPWMEMHDWTRKW-UHFFFAOYSA-N 0 0 241.266 1.376 20 10 BDCDRN [O-]c1c(C[NH2+]CCN2CCC2)ccc(F)c1F ZINC000703310299 712071944 /nfs/dbraw/zinc/07/19/44/712071944.db2.gz WBKRILASYNPHAP-UHFFFAOYSA-N 0 0 242.269 1.466 20 10 BDCDRN C[C@H]1C[C@H](C(=O)N(C)Cc2ccccc2O)CO1 ZINC000383727403 710888138 /nfs/dbraw/zinc/88/81/38/710888138.db2.gz LKIAHTADMCSODS-JQWIXIFHSA-N 0 0 249.310 1.776 20 10 BDCDRN O=C(NCc1ccccc1O)c1ccncn1 ZINC000396987392 710907480 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/nfs/dbraw/zinc/19/50/61/712195061.db2.gz JJARMELXNYRQPQ-ZETCQYMHSA-N 0 0 231.242 1.531 20 10 BDCDRN COC(=O)[C@H](C)N[C@H](C)c1ccccc1O ZINC000037074089 712535591 /nfs/dbraw/zinc/53/55/91/712535591.db2.gz HAFQKTKSEYRFPV-BDAKNGLRSA-N 0 0 223.272 1.604 20 10 BDCDRN Cc1ccc(O)c(CNC(=O)C2(O)CCC2)c1 ZINC000862757450 712619114 /nfs/dbraw/zinc/61/91/14/712619114.db2.gz UTVMNSUOOREYDV-UHFFFAOYSA-N 0 0 235.283 1.232 20 10 BDCDRN C[C@H]1CO[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000718420164 712760320 /nfs/dbraw/zinc/76/03/20/712760320.db2.gz ZEGFLGAQHPKKLF-SKDRFNHKSA-N 0 0 234.299 1.657 20 10 BDCDRN CCCOC1CN(Cc2cc(O)ccc2O)C1 ZINC001141160385 960894903 /nfs/dbraw/zinc/89/49/03/960894903.db2.gz WQDQNURFVGWMOF-UHFFFAOYSA-N 0 0 237.299 1.709 20 10 BDCDRN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H](CO)C1 ZINC001142521031 961473015 /nfs/dbraw/zinc/47/30/15/961473015.db2.gz UZLZEMGFUAZPOE-QMMMGPOBSA-N 0 0 243.253 1.485 20 10 BDCDRN