smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc2c1C[N@@H+](Cc1cnco1)CC2 ZINC001140934001 960718593 /nfs/dbraw/zinc/71/85/93/960718593.db2.gz PMXNXRQXAMKDCW-UHFFFAOYSA-N 0 1 230.267 1.939 20 10 BDCDMN Oc1cccc2c1CN(Cc1cnco1)CC2 ZINC001140934001 960718608 /nfs/dbraw/zinc/71/86/08/960718608.db2.gz PMXNXRQXAMKDCW-UHFFFAOYSA-N 0 1 230.267 1.939 20 10 BDCDMN C[C@@]1(O)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508994 964343167 /nfs/dbraw/zinc/34/31/67/964343167.db2.gz SCDVGMYQZVBSQI-GFCCVEGCSA-N 0 1 243.253 1.627 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@]1(C)O ZINC001203549927 966672258 /nfs/dbraw/zinc/67/22/58/966672258.db2.gz DASBWCQDWBAZNA-RISCZKNCSA-N 0 1 235.327 1.985 20 10 BDCDMN CCN(Cc1ccc(OC)cc1O)C1COC1 ZINC001203628792 966714352 /nfs/dbraw/zinc/71/43/52/966714352.db2.gz IJWBFISXNDMASQ-UHFFFAOYSA-N 0 1 237.299 1.622 20 10 BDCDMN CO[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874380 966806714 /nfs/dbraw/zinc/80/67/14/966806714.db2.gz VRJTUTTUNJNSDK-LLVKDONJSA-N 0 1 237.299 1.709 20 10 BDCDMN CC(=O)[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203880981 966809151 /nfs/dbraw/zinc/80/91/51/966809151.db2.gz KPFBQBCMVXYUPC-LLVKDONJSA-N 0 1 235.283 1.509 20 10 BDCDMN CN(Cc1ccc(O)cc1O)C1(C)COC1 ZINC001204278970 966957048 /nfs/dbraw/zinc/95/70/48/966957048.db2.gz MYUHNQNQENBZCP-UHFFFAOYSA-N 0 1 223.272 1.319 20 10 BDCDMN CN(Cc1ccncn1)Cc1ccc(O)cc1O ZINC001204282747 966960433 /nfs/dbraw/zinc/96/04/33/966960433.db2.gz VEIJLLNEBQDFFU-UHFFFAOYSA-N 0 1 245.282 1.520 20 10 BDCDMN COCCN(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340424 966974762 /nfs/dbraw/zinc/97/47/62/966974762.db2.gz QMOKRFLFUMTZEP-UHFFFAOYSA-N 0 1 241.287 1.185 20 10 BDCDMN COc1cc(CN2CC3CC(C3)C2)cc(O)c1O ZINC001204348652 966975675 /nfs/dbraw/zinc/97/56/75/966975675.db2.gz GWIWUTNSWZWMKB-UHFFFAOYSA-N 0 1 249.310 1.948 20 10 BDCDMN C[C@@H]1[C@H]([NH3+])CCN1Cc1c([O-])cccc1F ZINC001205177516 967408983 /nfs/dbraw/zinc/40/89/83/967408983.db2.gz OTNANJRYEVIZTC-LDYMZIIASA-N 0 1 224.279 1.453 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001137837621 967900457 /nfs/dbraw/zinc/90/04/57/967900457.db2.gz NYKUNQDAEVZWHU-VIFPVBQESA-N 0 1 225.263 1.346 20 10 BDCDMN Cc1nc2c(ccn2C)c(C2=CCCN(C)C2)n1 ZINC001241567358 969057412 /nfs/dbraw/zinc/05/74/12/969057412.db2.gz YBJUOPMWCZUNCD-UHFFFAOYSA-N 0 1 242.326 1.996 20 10 BDCDMN CCOc1ccc(N2CC3(CCN3C)C2)cc1 ZINC001276926804 973308581 /nfs/dbraw/zinc/30/85/81/973308581.db2.gz YFTOOYVPTLIOSN-UHFFFAOYSA-N 0 1 232.327 1.980 20 10 BDCDMN CNC(=O)[C@H]1CCCCN1Cc1ccc(N)cc1 ZINC000044412655 973749473 /nfs/dbraw/zinc/74/94/73/973749473.db2.gz HNLIEAHBPDJHED-CYBMUJFWSA-N 0 1 247.342 1.369 20 10 BDCDMN Cc1nnc(CNCc2ccc(C)cc2O)n1C ZINC001331053814 974578034 /nfs/dbraw/zinc/57/80/34/974578034.db2.gz SJDRLDZBZNOBHL-UHFFFAOYSA-N 0 1 246.314 1.427 20 10 BDCDMN Cc1cc(C)c(CN2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001231843279 977765742 /nfs/dbraw/zinc/76/57/42/977765742.db2.gz UKFUJULTKHZKIC-WCQYABFASA-N 0 1 239.290 1.524 20 10 BDCDMN O=C1CN(Cc2ccc(F)c(F)c2O)C1 ZINC001233077125 978464278 /nfs/dbraw/zinc/46/42/78/978464278.db2.gz FHUAVYSHVWAKIT-UHFFFAOYSA-N 0 1 213.183 1.055 20 10 BDCDMN C[NH+](C)C1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233331705 978563051 /nfs/dbraw/zinc/56/30/51/978563051.db2.gz HQFHMCFOWKCSPB-UHFFFAOYSA-N 0 1 242.269 1.416 20 10 BDCDMN COC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001181390790 979087600 /nfs/dbraw/zinc/08/76/00/979087600.db2.gz KSIUXHZLGSOFSB-JTQLQIEISA-N 0 1 245.706 1.143 20 10 BDCDMN [O-]c1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236284268 979488445 /nfs/dbraw/zinc/48/84/45/979488445.db2.gz HIQVGGJXWLHXJI-GXSJLCMTSA-N 0 1 238.718 1.449 20 10 BDCDMN CCOc1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001237044883 979808491 /nfs/dbraw/zinc/80/84/91/979808491.db2.gz ODMDKIKZTZSSGQ-UHFFFAOYSA-N 0 1 249.310 1.623 20 10 BDCDMN Cc1cccc(O)c1CN1C[C@@H](O)[C@@H](F)C1 ZINC001237485757 979908864 /nfs/dbraw/zinc/90/88/64/979908864.db2.gz SCFRDHLDCSOCRC-CMPLNLGQSA-N 0 1 225.263 1.215 20 10 BDCDMN Oc1c(F)cc(Cl)cc1CN1CC(O)C1 ZINC001237618778 979977379 /nfs/dbraw/zinc/97/73/79/979977379.db2.gz JARMUZOUTYYRGL-UHFFFAOYSA-N 0 1 231.654 1.361 20 10 BDCDMN Cc1cccc(C[N@H+](C)C(C)(C)C(=O)[O-])c1O ZINC001607851055 980134712 /nfs/dbraw/zinc/13/47/12/980134712.db2.gz DMTNYXRSLKFAEB-UHFFFAOYSA-N 0 1 237.299 1.996 20 10 BDCDMN Nc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC001608273070 980199663 /nfs/dbraw/zinc/19/96/63/980199663.db2.gz PSGAKWRKBGOAQK-UHFFFAOYSA-N 0 1 220.272 1.318 20 10 BDCDMN O=C([O-])[C@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC001608550631 980231466 /nfs/dbraw/zinc/23/14/66/980231466.db2.gz WWBKOXGPMHLODW-SNVBAGLBSA-N 0 1 239.246 1.484 20 10 BDCDMN CN(C)c1ccc(CN2CC3(CCN3C)C2)cc1 ZINC001275833244 984684818 /nfs/dbraw/zinc/68/48/18/984684818.db2.gz DSNHXARSXJEADO-UHFFFAOYSA-N 0 1 245.370 1.643 20 10 BDCDMN CC(C)n1cc(CNCc2ccccc2O)nn1 ZINC000384953965 984833851 /nfs/dbraw/zinc/83/38/51/984833851.db2.gz GMOQPAQXVYDOPT-UHFFFAOYSA-N 0 1 246.314 1.854 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001137831491 990853595 /nfs/dbraw/zinc/85/35/95/990853595.db2.gz BRAYZDMYSAEQKK-VIFPVBQESA-N 0 1 225.263 1.488 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)c2[nH]ncc2F)c1 ZINC001557552042 990896145 /nfs/dbraw/zinc/89/61/45/990896145.db2.gz ALPQRFWZLYXJQI-UHFFFAOYSA-N 0 1 249.245 1.493 20 10 BDCDMN CN(Cc1cccnn1)Cc1ccccc1O ZINC001139971713 991443271 /nfs/dbraw/zinc/44/32/71/991443271.db2.gz JZAYADUYCSZJFD-UHFFFAOYSA-N 0 1 229.283 1.814 20 10 BDCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC(C)(C)O ZINC001560692698 991554511 /nfs/dbraw/zinc/55/45/11/991554511.db2.gz ZFEOAUYLLGZSNM-UHFFFAOYSA-N 0 1 245.269 1.873 20 10 BDCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463228 991644691 /nfs/dbraw/zinc/64/46/91/991644691.db2.gz WNUDPAWNKQJWCS-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1O ZINC001140463228 991644698 /nfs/dbraw/zinc/64/46/98/991644698.db2.gz WNUDPAWNKQJWCS-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC001560947001 991662648 /nfs/dbraw/zinc/66/26/48/991662648.db2.gz OVWDFVSDKVLPAA-MGCOHNPYSA-N 0 1 227.691 1.659 20 10 BDCDMN Cc1cccc(CN2CCO[C@H](C)C2)c1O ZINC000162807545 179080613 /nfs/dbraw/zinc/08/06/13/179080613.db2.gz XAMAMVMHGJJHTN-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN CN(C)c1ccc(C[N@@H+](C)C2(CO)CC2)cc1 ZINC000285589815 188034731 /nfs/dbraw/zinc/03/47/31/188034731.db2.gz ULMGQSOIHVXFHJ-UHFFFAOYSA-N 0 1 234.343 1.709 20 10 BDCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000132499683 183124097 /nfs/dbraw/zinc/12/40/97/183124097.db2.gz AAZUEZRNNUAJGC-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN CCCNC(=O)CNCc1ccc2c(c1)CCO2 ZINC000037363086 169227626 /nfs/dbraw/zinc/22/76/26/169227626.db2.gz HLLUSUYEWPUYTB-UHFFFAOYSA-N 0 1 248.326 1.237 20 10 BDCDMN COC[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000132743478 384247362 /nfs/dbraw/zinc/24/73/62/384247362.db2.gz AKCDPQCDSSTUHE-LLVKDONJSA-N 0 1 221.300 1.861 20 10 BDCDMN Cc1ccc(O)c(CN(C)CC(=O)NC2CC2)c1 ZINC000120365267 384349282 /nfs/dbraw/zinc/34/92/82/384349282.db2.gz HRVZHKUYOVJIAK-UHFFFAOYSA-N 0 1 248.326 1.411 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1O ZINC000272236622 385885783 /nfs/dbraw/zinc/88/57/83/385885783.db2.gz ACBQUIQOPLKFSW-CABZTGNLSA-N 0 1 239.290 1.734 20 10 BDCDMN O=C(c1c(F)ccc(O)c1O)N1CCCCO1 ZINC000295191995 385988429 /nfs/dbraw/zinc/98/84/29/385988429.db2.gz LEXUAHYTWAFZPH-UHFFFAOYSA-N 0 1 241.218 1.405 20 10 BDCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@H]1CCOC1 ZINC000272474951 389030777 /nfs/dbraw/zinc/03/07/77/389030777.db2.gz SCGPDPDZYHHWMY-SNVBAGLBSA-N 0 1 239.290 2.000 20 10 BDCDMN CCc1nnc(CNCc2cccc(C)c2O)[nH]1 ZINC000296115388 171985632 /nfs/dbraw/zinc/98/56/32/171985632.db2.gz SRVIENONOMGFDM-UHFFFAOYSA-N 0 1 246.314 1.671 20 10 BDCDMN COc1ccc(O)c(CN(C)CCF)c1 ZINC000293690271 175158111 /nfs/dbraw/zinc/15/81/11/175158111.db2.gz QNOTWTBEUQRHAC-UHFFFAOYSA-N 0 1 213.252 1.802 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1CO ZINC000276698738 177166119 /nfs/dbraw/zinc/16/61/19/177166119.db2.gz DVEGQJLXCCQCET-JOYOIKCWSA-N 0 1 239.290 1.734 20 10 BDCDMN [NH3+][C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1F ZINC000853247875 588728965 /nfs/dbraw/zinc/72/89/65/588728965.db2.gz DSJGSAOIVNATJC-MWLCHTKSSA-N 0 1 242.269 1.402 20 10 BDCDMN Oc1c(F)cc(F)cc1CN1CC(F)C1 ZINC000894443917 583460770 /nfs/dbraw/zinc/46/07/70/583460770.db2.gz IFUXGIWZBZFWJW-UHFFFAOYSA-N 0 1 217.190 1.824 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1COCO1 ZINC000894871357 583539424 /nfs/dbraw/zinc/53/94/24/583539424.db2.gz BRQHZMJSKJXAQZ-JTQLQIEISA-N 0 1 243.690 1.508 20 10 BDCDMN Nc1ccc(-n2cc([C@H]3CCCCN3)nn2)cc1 ZINC000899683136 584224255 /nfs/dbraw/zinc/22/42/55/584224255.db2.gz VIUNHRAYBMKRMC-GFCCVEGCSA-N 0 1 243.314 1.664 20 10 BDCDMN C[C@@H](NC(=O)C1=CC(=O)CS1)c1nnc[nH]1 ZINC000748379584 585192106 /nfs/dbraw/zinc/19/21/06/585192106.db2.gz PUNMZMZGGZSKDE-RXMQYKEDSA-N 0 1 238.272 1.063 20 10 BDCDMN COc1cccc(O)c1C[N@H+]1CC[C@H](CO)C1 ZINC000769246243 585551613 /nfs/dbraw/zinc/55/16/13/585551613.db2.gz YGKPVIDPQMTBMF-JTQLQIEISA-N 0 1 237.299 1.215 20 10 BDCDMN Cc1cccc(CN(C)[C@@H]2CCNC2=O)c1O ZINC000775743466 585683717 /nfs/dbraw/zinc/68/37/17/585683717.db2.gz HJNQWLAAMDLIKG-LLVKDONJSA-N 0 1 234.299 1.021 20 10 BDCDMN O=S(=O)(Nc1ccc(O)cc1)c1ccoc1 ZINC000795276764 586074484 /nfs/dbraw/zinc/07/44/84/586074484.db2.gz UORGWASDJGAXER-UHFFFAOYSA-N 0 1 239.252 1.786 20 10 BDCDMN Oc1ccccc1CN1CCOCC12CC2 ZINC000802658447 586308531 /nfs/dbraw/zinc/30/85/31/586308531.db2.gz BEIPIBVMDFMZFF-UHFFFAOYSA-N 0 1 219.284 1.757 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000809744948 586516495 /nfs/dbraw/zinc/51/64/95/586516495.db2.gz AGZCASJPHUNKRM-SSDOTTSWSA-N 0 1 247.697 1.997 20 10 BDCDMN COc1cccc(O)c1CNCc1cncn1C ZINC000810160153 586535972 /nfs/dbraw/zinc/53/59/72/586535972.db2.gz WJQVOKFMNZLNPT-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN CNCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953870 586849187 /nfs/dbraw/zinc/84/91/87/586849187.db2.gz VOZGGIFPNRLIQY-MRVPVSSYSA-N 0 1 239.275 1.170 20 10 BDCDMN Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000820968208 587084917 /nfs/dbraw/zinc/08/49/17/587084917.db2.gz UPVVCIXYMOAEKU-LLVKDONJSA-N 0 1 249.310 1.916 20 10 BDCDMN C/C(=C\C[N@H+](C)Cc1ccccc1O)C(=O)[O-] ZINC000825729641 587334433 /nfs/dbraw/zinc/33/44/33/587334433.db2.gz JAUUHHGQXQKYNT-JXMROGBWSA-N 0 1 235.283 1.855 20 10 BDCDMN Oc1c(F)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057115 587940850 /nfs/dbraw/zinc/94/08/50/587940850.db2.gz IIWGIKRDQRQXJH-LLVKDONJSA-N 0 1 238.306 1.763 20 10 BDCDMN CC[C@H](N)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841071340 587942348 /nfs/dbraw/zinc/94/23/48/587942348.db2.gz DIWCNMZYVQXFEE-VIFPVBQESA-N 0 1 228.723 1.873 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862443675 589214104 /nfs/dbraw/zinc/21/41/04/589214104.db2.gz RVIZNYFHMHLQDA-AOOOYVTPSA-N 0 1 207.248 1.983 20 10 BDCDMN [O-]c1c(C[N@@H+]2CCC[C@H](O)C2)ccc(F)c1F ZINC000876527346 590209056 /nfs/dbraw/zinc/20/90/56/590209056.db2.gz AXEDMAKIUSPEPL-VIFPVBQESA-N 0 1 243.253 1.627 20 10 BDCDMN Cc1cccc(O)c1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000877534754 590349762 /nfs/dbraw/zinc/34/97/62/590349762.db2.gz GWLQLBDDLDVGNX-LLVKDONJSA-N 0 1 248.326 1.398 20 10 BDCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877534755 590349921 /nfs/dbraw/zinc/34/99/21/590349921.db2.gz GWLQLBDDLDVGNX-NSHDSACASA-N 0 1 248.326 1.398 20 10 BDCDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000877835040 590431905 /nfs/dbraw/zinc/43/19/05/590431905.db2.gz FHHUNVWOMGOQMI-GFCCVEGCSA-N 0 1 235.327 1.985 20 10 BDCDMN CC[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000127958941 590852778 /nfs/dbraw/zinc/85/27/78/590852778.db2.gz ZMOOCVMQRUEHNO-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN CC[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000127958941 590852776 /nfs/dbraw/zinc/85/27/76/590852776.db2.gz ZMOOCVMQRUEHNO-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN COc1ccc(CNCc2ccn(C)n2)c(O)c1 ZINC000213105634 591448886 /nfs/dbraw/zinc/44/88/86/591448886.db2.gz XIQVLXBKZNLXHK-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN C[C@@H](NCc1ccn(C)n1)c1ccccc1O ZINC000213218877 591455771 /nfs/dbraw/zinc/45/57/71/591455771.db2.gz BYNNPSIUYNDCQN-SNVBAGLBSA-N 0 1 231.299 1.977 20 10 BDCDMN CON(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000883172543 591562934 /nfs/dbraw/zinc/56/29/34/591562934.db2.gz KVYZHCYJYHHMST-UHFFFAOYSA-N 0 1 244.722 1.628 20 10 BDCDMN CCN(C)c1ccc([C@@H](C)N[C@@H]2CNOC2)cc1 ZINC000925865124 635565730 /nfs/dbraw/zinc/56/57/30/635565730.db2.gz USXXFVPXWJNLNP-DGCLKSJQSA-N 0 1 249.358 1.697 20 10 BDCDMN CCNC(=O)CNCc1ccc2c(c1)CCCO2 ZINC000921489189 642628609 /nfs/dbraw/zinc/62/86/09/642628609.db2.gz YVDUHAMTYRQYFG-UHFFFAOYSA-N 0 1 248.326 1.237 20 10 BDCDMN COC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070589371 711895760 /nfs/dbraw/zinc/89/57/60/711895760.db2.gz CIYLNYJYXPASFP-JTQLQIEISA-N 0 1 245.706 1.143 20 10 BDCDMN CN1CC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000712572081 712447676 /nfs/dbraw/zinc/44/76/76/712447676.db2.gz MUWXUXJKBPUJHL-VIFPVBQESA-N 0 1 240.734 1.839 20 10 BDCDMN Cc1ccc([C@@H](C)NCc2cn(C)nn2)c(O)c1 ZINC000389808708 711089215 /nfs/dbraw/zinc/08/92/15/711089215.db2.gz DREAVALSEGVYPM-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN Cc1nnc([C@@H](C)NCc2ccccc2O)[nH]1 ZINC000392461320 711148430 /nfs/dbraw/zinc/14/84/30/711148430.db2.gz LHVOWMZMUHWMSE-MRVPVSSYSA-N 0 1 232.287 1.670 20 10 BDCDMN C[C@H](NCc1nncn1C)c1ccccc1O ZINC000038007598 711481692 /nfs/dbraw/zinc/48/16/92/711481692.db2.gz XZDXUDHVSZOJMG-VIFPVBQESA-N 0 1 232.287 1.372 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000086774661 957987095 /nfs/dbraw/zinc/98/70/95/957987095.db2.gz IIVOYBJQBHUTEN-ZYHUDNBSSA-N 0 1 249.310 1.853 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092942042 958215259 /nfs/dbraw/zinc/21/52/59/958215259.db2.gz XHSUJZLWULQOQJ-CMPLNLGQSA-N 0 1 249.310 1.996 20 10 BDCDMN Oc1cc(F)cc(F)c1CN1CC2(CCO2)C1 ZINC001140583400 959010086 /nfs/dbraw/zinc/01/00/86/959010086.db2.gz FCRCFPLCAFFQKU-UHFFFAOYSA-N 0 1 241.237 1.645 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@H]1O ZINC001142509060 964343794 /nfs/dbraw/zinc/34/37/94/964343794.db2.gz VYLVHDGPEIHBNN-JVXZTZIISA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508993 964344388 /nfs/dbraw/zinc/34/43/88/964344388.db2.gz SCCOWNDSTJFFEH-VXNVDRBHSA-N 0 1 243.253 1.626 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001236174199 966300575 /nfs/dbraw/zinc/30/05/75/966300575.db2.gz SXMRYQIHKMINEL-MRVPVSSYSA-N 0 1 242.706 1.284 20 10 BDCDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2O)[C@H]1CO ZINC001203549902 966671167 /nfs/dbraw/zinc/67/11/67/966671167.db2.gz BWQMQDVNVRMICU-YPMHNXCESA-N 0 1 235.327 1.985 20 10 BDCDMN CC(=O)N1CCN(Cc2ccccc2O)C[C@@H]1C ZINC001203558258 966690982 /nfs/dbraw/zinc/69/09/82/966690982.db2.gz APLZZHSEVZYDEY-NSHDSACASA-N 0 1 248.326 1.445 20 10 BDCDMN COc1ccc(O)c(C[N@@H+]2CCN3CC[C@@H]3C2)c1 ZINC001203683705 966735410 /nfs/dbraw/zinc/73/54/10/966735410.db2.gz AXGHUWPASWRGPL-GFCCVEGCSA-N 0 1 248.326 1.291 20 10 BDCDMN CC(=O)[C@@H]1CCCN1Cc1ccc(O)cc1O ZINC001204281401 966959881 /nfs/dbraw/zinc/95/98/81/966959881.db2.gz DSJNSAXBPVLIDI-LBPRGKRZSA-N 0 1 235.283 1.651 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001137837620 967902344 /nfs/dbraw/zinc/90/23/44/967902344.db2.gz NYKUNQDAEVZWHU-SECBINFHSA-N 0 1 225.263 1.346 20 10 BDCDMN CNc1ccccc1NC[C@@H]1COCCN1 ZINC001170047362 970084792 /nfs/dbraw/zinc/08/47/92/970084792.db2.gz LLHNTWILIUBWNC-SNVBAGLBSA-N 0 1 221.304 1.129 20 10 BDCDMN COc1ccc(N2CC3(CN(C)C3)C2)cc1F ZINC001277009278 974103769 /nfs/dbraw/zinc/10/37/69/974103769.db2.gz HUZAOFLFACZYOM-UHFFFAOYSA-N 0 1 236.290 1.586 20 10 BDCDMN Cc1ccc(C[N@H+](CC(=O)[O-])C(C)C)c(O)c1 ZINC001594359952 977632950 /nfs/dbraw/zinc/63/29/50/977632950.db2.gz CCAHQMSHCOMFGS-UHFFFAOYSA-N 0 1 237.299 1.996 20 10 BDCDMN CCN1CCCN(Cc2ccc(N)cc2)CC1=O ZINC001337838187 978521438 /nfs/dbraw/zinc/52/14/38/978521438.db2.gz JTBRLDJOYURMCE-UHFFFAOYSA-N 0 1 247.342 1.323 20 10 BDCDMN C[C@@H](C(=O)N1CCc2cccc(O)c2C1)N(C)C ZINC001180863030 978955450 /nfs/dbraw/zinc/95/54/50/978955450.db2.gz CCJMDIHURJRECC-JTQLQIEISA-N 0 1 248.326 1.227 20 10 BDCDMN [O-]c1c(F)cccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235078603 978971511 /nfs/dbraw/zinc/97/15/11/978971511.db2.gz OZDPPFPZUNUNME-VXGBXAGGSA-N 0 1 236.290 1.468 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001236172286 979430398 /nfs/dbraw/zinc/43/03/98/979430398.db2.gz BXDFSVOPAGVIEV-QMMMGPOBSA-N 0 1 244.697 1.718 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001236175292 979437321 /nfs/dbraw/zinc/43/73/21/979437321.db2.gz ZWUDJAYNSMIRST-ZETCQYMHSA-N 0 1 244.697 1.718 20 10 BDCDMN [O-]c1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236284300 979487040 /nfs/dbraw/zinc/48/70/40/979487040.db2.gz HPODOOJWWVWVKU-LDYMZIIASA-N 0 1 238.718 1.449 20 10 BDCDMN Cc1cc(F)cc(CN2CC(CO)C2)c1O ZINC001238061841 980131904 /nfs/dbraw/zinc/13/19/04/980131904.db2.gz KBMFOWGXUZVDPG-UHFFFAOYSA-N 0 1 225.263 1.264 20 10 BDCDMN CCN(C)C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193590360 981378162 /nfs/dbraw/zinc/37/81/62/981378162.db2.gz ZOPWGPMPWLKCBW-UHFFFAOYSA-N 0 1 229.663 1.843 20 10 BDCDMN O=C(N[C@@H]1C[C@H]1F)c1cc(O)c(O)c(Cl)c1 ZINC001193625415 981389003 /nfs/dbraw/zinc/38/90/03/981389003.db2.gz IPXYYZLJDMIAJQ-RNFRBKRXSA-N 0 1 245.637 1.591 20 10 BDCDMN C[C@@H]([NH2+]C[C@H](C)C(=O)[O-])c1c(O)cccc1F ZINC001589067338 982605123 /nfs/dbraw/zinc/60/51/23/982605123.db2.gz JFHPWHRKFCAMCY-JGVFFNPUSA-N 0 1 241.262 1.903 20 10 BDCDMN C[N@H+](CCCO)Cc1ccc(Cl)cc1[O-] ZINC001462151441 986297592 /nfs/dbraw/zinc/29/75/92/986297592.db2.gz RNFZHXULTYUADQ-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[N@@H+](CCCO)Cc1ccc(Cl)cc1[O-] ZINC001462151441 986297602 /nfs/dbraw/zinc/29/76/02/986297602.db2.gz RNFZHXULTYUADQ-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN Cc1ncc(C(=O)N2Cc3cccc(O)c3C2)[nH]1 ZINC001471355601 987091726 /nfs/dbraw/zinc/09/17/26/987091726.db2.gz MLEKLBQBPMYVIW-UHFFFAOYSA-N 0 1 243.266 1.580 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001137833016 990855163 /nfs/dbraw/zinc/85/51/63/990855163.db2.gz PUJGVXIGIHZWEH-JTQLQIEISA-N 0 1 239.290 1.878 20 10 BDCDMN C[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837400 990856213 /nfs/dbraw/zinc/85/62/13/990856213.db2.gz FPGBTWPHXADAER-CYBMUJFWSA-N 0 1 239.290 1.878 20 10 BDCDMN C[NH+](C)C1(C)CN(Cc2cccc(F)c2[O-])C1 ZINC001138128341 990886329 /nfs/dbraw/zinc/88/63/29/990886329.db2.gz DLSTUEGKRYKECP-UHFFFAOYSA-N 0 1 238.306 1.667 20 10 BDCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139685719 991321630 /nfs/dbraw/zinc/32/16/30/991321630.db2.gz UYLZWCGQBOQHJJ-SFYZADRCSA-N 0 1 243.253 1.626 20 10 BDCDMN COC1CN(Cc2c(C)ccc(C)c2O)C1 ZINC001140178573 991550394 /nfs/dbraw/zinc/55/03/94/991550394.db2.gz PCQJWCGTMCVVFC-UHFFFAOYSA-N 0 1 221.300 1.840 20 10 BDCDMN C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001140463227 991643433 /nfs/dbraw/zinc/64/34/33/991643433.db2.gz WNUDPAWNKQJWCS-QPUJVOFHSA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001140463227 991643436 /nfs/dbraw/zinc/64/34/36/991643436.db2.gz WNUDPAWNKQJWCS-QPUJVOFHSA-N 0 1 241.718 1.858 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2CCC[C@@H](O)C2)cc1C ZINC000298575201 178195563 /nfs/dbraw/zinc/19/55/63/178195563.db2.gz BIZGSSQISWBELX-CYBMUJFWSA-N 0 1 235.327 1.966 20 10 BDCDMN CC[C@H](NCc1nncn1C)c1ccccc1O ZINC000038007445 343365103 /nfs/dbraw/zinc/36/51/03/343365103.db2.gz DKYJEFZHQYETTA-NSHDSACASA-N 0 1 246.314 1.762 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](CO)C1 ZINC000127231461 183153452 /nfs/dbraw/zinc/15/34/52/183153452.db2.gz MKLXNWCWQYGZLM-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](CO)C1 ZINC000127231461 183153456 /nfs/dbraw/zinc/15/34/56/183153456.db2.gz MKLXNWCWQYGZLM-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN CCCN(Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000076074459 169179932 /nfs/dbraw/zinc/17/99/32/169179932.db2.gz TVXNBXNKAUNTTF-GFCCVEGCSA-N 0 1 249.310 1.920 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000132771214 384251170 /nfs/dbraw/zinc/25/11/70/384251170.db2.gz ZTWMJDWDIWXQLL-LBPRGKRZSA-N 0 1 221.300 1.921 20 10 BDCDMN C[C@@H](C(=O)N(C)C)N(C)Cc1ccccc1O ZINC000121144808 384401710 /nfs/dbraw/zinc/40/17/10/384401710.db2.gz IAXFCPAQNYBALF-JTQLQIEISA-N 0 1 236.315 1.301 20 10 BDCDMN CC(=O)c1cc(F)cc(CN(C)CCO)c1O ZINC000050134640 384596497 /nfs/dbraw/zinc/59/64/97/384596497.db2.gz MWAOFBNDFYDAII-UHFFFAOYSA-N 0 1 241.262 1.158 20 10 BDCDMN CC[N@@H+](CCOC)Cc1cccc(F)c1[O-] ZINC000165416882 385122797 /nfs/dbraw/zinc/12/27/97/385122797.db2.gz LPAZQRGZTONJLE-UHFFFAOYSA-N 0 1 227.279 2.000 20 10 BDCDMN CC(C)N(CC(N)=O)Cc1cc(F)ccc1O ZINC000179885584 385498143 /nfs/dbraw/zinc/49/81/43/385498143.db2.gz GZUTVFSACQDVHW-UHFFFAOYSA-N 0 1 240.278 1.227 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H]1O ZINC000272038312 385870520 /nfs/dbraw/zinc/87/05/20/385870520.db2.gz ZRIADYVQSWNTBG-WCQYABFASA-N 0 1 235.327 1.903 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000289425804 386302386 /nfs/dbraw/zinc/30/23/86/386302386.db2.gz JWWOGVSQNYIASP-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN CCNC(=O)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000037363102 170095214 /nfs/dbraw/zinc/09/52/14/170095214.db2.gz HXXFCZWSUXMNHM-JTQLQIEISA-N 0 1 248.326 1.236 20 10 BDCDMN CCn1cnnc1CN[C@@H](C)c1ccccc1O ZINC000228791317 172237007 /nfs/dbraw/zinc/23/70/07/172237007.db2.gz YBTYOYYAPVLCOZ-JTQLQIEISA-N 0 1 246.314 1.854 20 10 BDCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1(CO)CC1 ZINC000895354827 583657564 /nfs/dbraw/zinc/65/75/64/583657564.db2.gz SNYSRWGOFFIRPW-UHFFFAOYSA-N 0 1 243.253 1.627 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1O ZINC000897675626 584035192 /nfs/dbraw/zinc/03/51/92/584035192.db2.gz AXLIZIICRFTAPO-CPCISQLKSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC000897684467 584040184 /nfs/dbraw/zinc/04/01/84/584040184.db2.gz PPMTWQJDBJEWHT-SKDRFNHKSA-N 0 1 207.273 1.205 20 10 BDCDMN Cc1cccc(CN2CC[C@H](O)[C@@H](F)C2)c1O ZINC000898187311 584094462 /nfs/dbraw/zinc/09/44/62/584094462.db2.gz JIEZVDVICFGOMV-RYUDHWBXSA-N 0 1 239.290 1.605 20 10 BDCDMN Cn1cnc(CN[C@@H]2CCc3cccc(O)c32)c1 ZINC000903351111 584755218 /nfs/dbraw/zinc/75/52/18/584755218.db2.gz HGSJBNARLGWKSI-GFCCVEGCSA-N 0 1 243.310 1.903 20 10 BDCDMN CN(C)c1ccc(/C=C\CN[C@@H]2CNOC2)cc1 ZINC000904423841 584880621 /nfs/dbraw/zinc/88/06/21/584880621.db2.gz JJSFFMXYNNPPFQ-DHCBQETCSA-N 0 1 247.342 1.259 20 10 BDCDMN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945167 584991889 /nfs/dbraw/zinc/99/18/89/584991889.db2.gz WARRLEVCSNVKJT-ZYHUDNBSSA-N 0 1 238.306 1.934 20 10 BDCDMN CN(C)c1ccc(CNCc2cn[nH]c2)cc1F ZINC000749915537 585208298 /nfs/dbraw/zinc/20/82/98/585208298.db2.gz MKUUMPWPVKLNHE-UHFFFAOYSA-N 0 1 248.305 1.905 20 10 BDCDMN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000750015727 585209494 /nfs/dbraw/zinc/20/94/94/585209494.db2.gz OYSVVALYYSGUKS-NSHDSACASA-N 0 1 249.358 1.319 20 10 BDCDMN O=C(CCc1cnc[nH]1)NCc1ccccc1O ZINC000793683770 586025239 /nfs/dbraw/zinc/02/52/39/586025239.db2.gz YGFPAPJRVNGQHB-UHFFFAOYSA-N 0 1 245.282 1.364 20 10 BDCDMN C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945073 586846305 /nfs/dbraw/zinc/84/63/05/586846305.db2.gz SPMLADFWIXWHQA-WPRPVWTQSA-N 0 1 224.279 1.544 20 10 BDCDMN Cc1cccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1O ZINC000821111942 587096706 /nfs/dbraw/zinc/09/67/06/587096706.db2.gz CANWAXXWLMCYTK-NSHDSACASA-N 0 1 235.283 1.607 20 10 BDCDMN CC1(C)CN(C(=O)C2=CC(=O)CS2)CCN1 ZINC000829584086 587505078 /nfs/dbraw/zinc/50/50/78/587505078.db2.gz ZXOKPDLYJAPATG-UHFFFAOYSA-N 0 1 240.328 1.278 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CO)c(Cl)c1 ZINC000840883789 587928000 /nfs/dbraw/zinc/92/80/00/587928000.db2.gz HWVALNXRNPNGGT-MRVPVSSYSA-N 0 1 229.707 1.824 20 10 BDCDMN Cc1cc([O-])c(C[N@H+](C)CCO)c(Cl)c1 ZINC000840908596 587929652 /nfs/dbraw/zinc/92/96/52/587929652.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N 0 1 229.707 1.778 20 10 BDCDMN Cc1cc([O-])c(C[N@@H+](C)CCO)c(Cl)c1 ZINC000840908596 587929653 /nfs/dbraw/zinc/92/96/53/587929653.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N 0 1 229.707 1.778 20 10 BDCDMN Cc1cc(O)c(CN(C)CCO)c(Cl)c1 ZINC000840908596 587929654 /nfs/dbraw/zinc/92/96/54/587929654.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N 0 1 229.707 1.778 20 10 BDCDMN CN1CC[NH+]=C1NCc1cc(Cl)ccc1[O-] ZINC000849050331 588451696 /nfs/dbraw/zinc/45/16/96/588451696.db2.gz ZRBDSAKMOPQINT-UHFFFAOYSA-N 0 1 239.706 1.437 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)C2(N(C)C)CC2)c1 ZINC000862755468 589237666 /nfs/dbraw/zinc/23/76/66/589237666.db2.gz SXNDOFDSEXODFO-UHFFFAOYSA-N 0 1 248.326 1.411 20 10 BDCDMN Cc1cc(C)c(O)c(CN2CCCNC(=O)C2)c1 ZINC000872825389 589972458 /nfs/dbraw/zinc/97/24/58/589972458.db2.gz JWXKQLGKONXKDU-UHFFFAOYSA-N 0 1 248.326 1.331 20 10 BDCDMN CCNC(=O)CN(C)Cc1cccc(C)c1O ZINC000124559509 590050795 /nfs/dbraw/zinc/05/07/95/590050795.db2.gz ZZWJMOBNWRWBDS-UHFFFAOYSA-N 0 1 236.315 1.269 20 10 BDCDMN CC[C@@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877074791 590278233 /nfs/dbraw/zinc/27/82/33/590278233.db2.gz SGZGGMVSSCYVGI-LBPRGKRZSA-N 0 1 235.331 1.572 20 10 BDCDMN COC1(C)CN(Cc2ccc(C)cc2O)C1 ZINC000877533741 590349665 /nfs/dbraw/zinc/34/96/65/590349665.db2.gz RCAKDSSUTCXBHU-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN CC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000878455045 590571012 /nfs/dbraw/zinc/57/10/12/590571012.db2.gz NTIDAPQUPRREGM-LLVKDONJSA-N 0 1 220.316 1.992 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000309559479 632495328 /nfs/dbraw/zinc/49/53/28/632495328.db2.gz NYCQOIBPNHCUNS-SECBINFHSA-N 0 1 210.252 1.064 20 10 BDCDMN CCNC(=O)CNCc1ccc(OC)c(C)c1 ZINC000035052684 636519890 /nfs/dbraw/zinc/51/98/90/636519890.db2.gz LEHJCIAINCMDRD-UHFFFAOYSA-N 0 1 236.315 1.229 20 10 BDCDMN CN(C)c1ccc(CNCc2cn(C)cn2)cc1 ZINC000311125454 639989036 /nfs/dbraw/zinc/98/90/36/639989036.db2.gz POGSYXYNACOYDB-UHFFFAOYSA-N 0 1 244.342 1.776 20 10 BDCDMN CC[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C ZINC000062460928 641050963 /nfs/dbraw/zinc/05/09/63/641050963.db2.gz AOKIZTRXJWOUFJ-NSHDSACASA-N 0 1 221.304 1.548 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C/CO ZINC000717533687 712660804 /nfs/dbraw/zinc/66/08/04/712660804.db2.gz NCCHUPFQBWXBDT-OWOJBTEDSA-N 0 1 227.691 1.684 20 10 BDCDMN Cc1ccc(O)c(CNCc2cn(C)nn2)c1 ZINC000389840000 711092914 /nfs/dbraw/zinc/09/29/14/711092914.db2.gz UJNNIMPNXNSMCJ-UHFFFAOYSA-N 0 1 232.287 1.119 20 10 BDCDMN c1[nH]nnc1CNCc1ccc2c(c1)CCO2 ZINC000398331640 711408359 /nfs/dbraw/zinc/40/83/59/711408359.db2.gz ASNQIJJXVZXQTG-UHFFFAOYSA-N 0 1 230.271 1.029 20 10 BDCDMN Oc1c(F)cc(F)cc1CN1CCOCC1 ZINC000708402095 712192443 /nfs/dbraw/zinc/19/24/43/712192443.db2.gz UUSSXBPWCDVBQC-UHFFFAOYSA-N 0 1 229.226 1.503 20 10 BDCDMN CCN(Cc1ccc(O)c(C)c1O)C1COC1 ZINC001140749278 960547836 /nfs/dbraw/zinc/54/78/36/960547836.db2.gz VAHKIHBULUSVAQ-UHFFFAOYSA-N 0 1 237.299 1.627 20 10 BDCDMN CC[C@H]([NH3+])CN(C)Cc1c([O-])ccc(F)c1F ZINC001236885216 979783020 /nfs/dbraw/zinc/78/30/20/979783020.db2.gz XTNFSIHNAVDCNG-QMMMGPOBSA-N 0 1 244.285 1.840 20 10 BDCDMN Cc1cccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1O ZINC001594404426 958890628 /nfs/dbraw/zinc/89/06/28/958890628.db2.gz UTBFLYNGBTUYLI-AWEZNQCLSA-N 0 1 249.310 1.997 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000227582300 959963059 /nfs/dbraw/zinc/96/30/59/959963059.db2.gz XHSUJZLWULQOQJ-ZYHUDNBSSA-N 0 1 249.310 1.996 20 10 BDCDMN COC(=O)C1CN(Cc2cc(C)ccc2O)C1 ZINC001140619717 960459763 /nfs/dbraw/zinc/45/97/63/960459763.db2.gz LQEJHNIAVZVRRV-UHFFFAOYSA-N 0 1 235.283 1.305 20 10 BDCDMN CC(=O)CN(C)Cc1ccc(C)cc1O ZINC001140947689 960741756 /nfs/dbraw/zinc/74/17/56/960741756.db2.gz ATWQZVRLGOANEN-UHFFFAOYSA-N 0 1 207.273 1.721 20 10 BDCDMN O=C(C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc([O-])c(O)c1 ZINC001167909554 961812469 /nfs/dbraw/zinc/81/24/69/961812469.db2.gz OFIHBCVULAPUPH-JGPRNRPPSA-N 0 1 247.294 1.669 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001236174204 966301497 /nfs/dbraw/zinc/30/14/97/966301497.db2.gz SXMRYQIHKMINEL-QMMMGPOBSA-N 0 1 242.706 1.284 20 10 BDCDMN [O-]c1ccc(F)c(F)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236296467 966356313 /nfs/dbraw/zinc/35/63/13/966356313.db2.gz QXZWHCCBEFIEMU-XCBNKYQSSA-N 0 1 240.253 1.074 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CCC[C@@H]1O ZINC001203550510 966685288 /nfs/dbraw/zinc/68/52/88/966685288.db2.gz WPMMWANXWFXZHM-YPMHNXCESA-N 0 1 235.327 1.985 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCC[C@@H]1O ZINC001203550510 966685298 /nfs/dbraw/zinc/68/52/98/966685298.db2.gz WPMMWANXWFXZHM-YPMHNXCESA-N 0 1 235.327 1.985 20 10 BDCDMN CO[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874381 966795382 /nfs/dbraw/zinc/79/53/82/966795382.db2.gz VRJTUTTUNJNSDK-NSHDSACASA-N 0 1 237.299 1.709 20 10 BDCDMN Oc1ccc(CN2CCC[C@]3(CCO3)C2)cc1O ZINC001203882193 966809319 /nfs/dbraw/zinc/80/93/19/966809319.db2.gz GASAMNMJWCMENH-AWEZNQCLSA-N 0 1 249.310 1.853 20 10 BDCDMN COc1ccc(C[N@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000180199897 968488585 /nfs/dbraw/zinc/48/85/85/968488585.db2.gz WCZNXIUVCITQLU-ZDUSSCGKSA-N 0 1 237.299 1.358 20 10 BDCDMN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC001119549078 969671221 /nfs/dbraw/zinc/67/12/21/969671221.db2.gz DWZKIAYTLMADQV-ZCFIWIBFSA-N 0 1 245.225 1.481 20 10 BDCDMN CN(Cc1c(O)cc(O)cc1O)C1(C)COC1 ZINC001144514920 972859166 /nfs/dbraw/zinc/85/91/66/972859166.db2.gz XTCWCBJFEJJNOS-UHFFFAOYSA-N 0 1 239.271 1.024 20 10 BDCDMN C[C@H]([NH2+]Cc1c(O)cccc1F)C(=O)[O-] ZINC001335286367 976923713 /nfs/dbraw/zinc/92/37/13/976923713.db2.gz YEYCJVQQQJCFKW-LURJTMIESA-N 0 1 213.208 1.094 20 10 BDCDMN O=C([O-])c1ccc(C[NH+]2CCC(=O)CC2)c(O)c1 ZINC001231446571 977592761 /nfs/dbraw/zinc/59/27/61/977592761.db2.gz KEXSRJAHIJRAKD-UHFFFAOYSA-N 0 1 249.266 1.255 20 10 BDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001231560270 977626931 /nfs/dbraw/zinc/62/69/31/977626931.db2.gz DWKREVOQQHJVHI-SNVBAGLBSA-N 0 1 239.246 1.634 20 10 BDCDMN CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231560704 977633312 /nfs/dbraw/zinc/63/33/12/977633312.db2.gz OTQLGXPWUVZTAY-UHFFFAOYSA-N 0 1 223.272 1.932 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560350 977633596 /nfs/dbraw/zinc/63/35/96/977633596.db2.gz HGZUTVBNVUSCDL-SECBINFHSA-N 0 1 235.283 1.932 20 10 BDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001231560796 977636004 /nfs/dbraw/zinc/63/60/04/977636004.db2.gz NFMQTMPEOZXRSL-AOOOYVTPSA-N 0 1 233.267 1.542 20 10 BDCDMN Cc1cc(O)c(CN2CC(CO)C2)cc1Cl ZINC001231871127 977778610 /nfs/dbraw/zinc/77/86/10/977778610.db2.gz ZGIIHTKOYGTHAS-UHFFFAOYSA-N 0 1 241.718 1.778 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@@H]1O ZINC001233332229 978568292 /nfs/dbraw/zinc/56/82/92/978568292.db2.gz DDGIRQWYGGIKFQ-CPCISQLKSA-N 0 1 243.253 1.483 20 10 BDCDMN [O-]c1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236284269 979486933 /nfs/dbraw/zinc/48/69/33/979486933.db2.gz HIQVGGJXWLHXJI-KOLCDFICSA-N 0 1 238.718 1.449 20 10 BDCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N)cc1 ZINC001604961343 979787007 /nfs/dbraw/zinc/78/70/07/979787007.db2.gz ITLOMPQXXUYBCC-SNVBAGLBSA-N 0 1 236.315 1.954 20 10 BDCDMN CC[N@H+](CC(=O)[O-])Cc1cc(F)c(F)cc1O ZINC001605415771 979869488 /nfs/dbraw/zinc/86/94/88/979869488.db2.gz RKKDEAHNIVBJKO-UHFFFAOYSA-N 0 1 245.225 1.577 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cc(F)c(F)cc1O ZINC001605415771 979869493 /nfs/dbraw/zinc/86/94/93/979869493.db2.gz RKKDEAHNIVBJKO-UHFFFAOYSA-N 0 1 245.225 1.577 20 10 BDCDMN Cc1cccc(O)c1CN1CCC12COC2 ZINC001237489925 979917553 /nfs/dbraw/zinc/91/75/53/979917553.db2.gz OJKZIBLZAFCNGO-UHFFFAOYSA-N 0 1 219.284 1.675 20 10 BDCDMN C[C@@H]1C[C@@H](O)CCN1Cc1ccc(O)c(O)c1 ZINC001203882547 982585193 /nfs/dbraw/zinc/58/51/93/982585193.db2.gz KWCSZQZJMSGRMZ-KOLCDFICSA-N 0 1 237.299 1.443 20 10 BDCDMN COCCN1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083644 983569328 /nfs/dbraw/zinc/56/93/28/983569328.db2.gz WUNLXHDFKFZGQX-UHFFFAOYSA-N 0 1 249.358 1.033 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001138122396 984801544 /nfs/dbraw/zinc/80/15/44/984801544.db2.gz BNEIMWQWYSUEOB-ONGXEEELSA-N 0 1 243.253 1.436 20 10 BDCDMN C[C@@H](NC(=O)c1[nH]ncc1F)c1ccccc1O ZINC001454805396 985048816 /nfs/dbraw/zinc/04/88/16/985048816.db2.gz ISIWJRMUMDQEHW-SSDOTTSWSA-N 0 1 249.245 1.745 20 10 BDCDMN C[C@H](CCO)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001462405865 986378452 /nfs/dbraw/zinc/37/84/52/986378452.db2.gz RKAHNIQDDAPAQO-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001462405875 986379114 /nfs/dbraw/zinc/37/91/14/986379114.db2.gz RKAHNIQDDAPAQO-QMMMGPOBSA-N 0 1 245.269 1.873 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C[C@H]1O ZINC001137833167 990857394 /nfs/dbraw/zinc/85/73/94/990857394.db2.gz VWLYWKFSCKVLTI-NOZJJQNGSA-N 0 1 239.290 1.734 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000092763757 343785102 /nfs/dbraw/zinc/78/51/02/343785102.db2.gz MYWIBLWJLDNDLA-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763757 343785104 /nfs/dbraw/zinc/78/51/04/343785104.db2.gz MYWIBLWJLDNDLA-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN Oc1ccccc1CN(C1CC1)C1COC1 ZINC000296201958 183301590 /nfs/dbraw/zinc/30/15/90/183301590.db2.gz ZFBQKGDUBUOTQP-UHFFFAOYSA-N 0 1 219.284 1.755 20 10 BDCDMN C[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000132474947 384187679 /nfs/dbraw/zinc/18/76/79/384187679.db2.gz DEHMKZIRUBBQKC-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000078780795 384465215 /nfs/dbraw/zinc/46/52/15/384465215.db2.gz HFOMDRBSDDPXMV-MRVPVSSYSA-N 0 1 229.707 1.906 20 10 BDCDMN O=C1OCC[C@]12CCCN2Cc1ccccc1O ZINC000190030803 385205274 /nfs/dbraw/zinc/20/52/74/385205274.db2.gz WAKRXYMSUALBPC-CQSZACIVSA-N 0 1 247.294 1.674 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194543369 385439096 /nfs/dbraw/zinc/43/90/96/385439096.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 0 1 246.354 1.694 20 10 BDCDMN Cn1nccc1CC[N@@H+](C)Cc1ccccc1O ZINC000276316748 386302132 /nfs/dbraw/zinc/30/21/32/386302132.db2.gz NOEXNQHCCIJVOK-UHFFFAOYSA-N 0 1 245.326 1.800 20 10 BDCDMN CO[C@H](C)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000289591325 386333206 /nfs/dbraw/zinc/33/32/06/386333206.db2.gz KKZKZXONEFTFBT-SECBINFHSA-N 0 1 227.279 1.998 20 10 BDCDMN CCNC(=O)CN(CC)Cc1ccc(N)cc1 ZINC000035361322 170057265 /nfs/dbraw/zinc/05/72/65/170057265.db2.gz POXAHUMRBZQFTL-UHFFFAOYSA-N 0 1 235.331 1.227 20 10 BDCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1O ZINC000292686301 177335644 /nfs/dbraw/zinc/33/56/44/177335644.db2.gz BAJYOUNHMYYOHO-JQWIXIFHSA-N 0 1 221.300 1.737 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000893871214 583237049 /nfs/dbraw/zinc/23/70/49/583237049.db2.gz IEWKJBODAPFRBX-JTQLQIEISA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000893871215 583238073 /nfs/dbraw/zinc/23/80/73/583238073.db2.gz IEWKJBODAPFRBX-SNVBAGLBSA-N 0 1 243.253 1.627 20 10 BDCDMN COc1cc(C)cc(CNCc2ccno2)c1O ZINC000894452890 583463673 /nfs/dbraw/zinc/46/36/73/583463673.db2.gz MPPAOSFSVHEZKO-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN Cc1nnc([C@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000894779234 583519482 /nfs/dbraw/zinc/51/94/82/583519482.db2.gz XGVDRMGAABLHNE-VIFPVBQESA-N 0 1 246.314 1.978 20 10 BDCDMN Cc1nnc([C@H](C)NCc2c(C)cccc2O)[nH]1 ZINC000894778863 583519810 /nfs/dbraw/zinc/51/98/10/583519810.db2.gz TUXGVSCNGXXTAV-VIFPVBQESA-N 0 1 246.314 1.978 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684009 584040359 /nfs/dbraw/zinc/04/03/59/584040359.db2.gz JCLFFDBFUCOINX-MFKMUULPSA-N 0 1 221.300 1.513 20 10 BDCDMN CN(C)c1ccc(CN2CC(C)(CO)C2)cc1 ZINC000839145441 585092117 /nfs/dbraw/zinc/09/21/17/585092117.db2.gz KAWURVMBKRACQT-UHFFFAOYSA-N 0 1 234.343 1.567 20 10 BDCDMN C[NH2+][C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843048539 585330335 /nfs/dbraw/zinc/33/03/35/585330335.db2.gz GBULESLBFGFIOZ-LLVKDONJSA-N 0 1 238.306 1.715 20 10 BDCDMN Cc1cc(C)c(O)c(CN(C)[C@@H]2CCNC2=O)c1 ZINC000758396016 585355714 /nfs/dbraw/zinc/35/57/14/585355714.db2.gz BBEVLLRTULHRRP-GFCCVEGCSA-N 0 1 248.326 1.329 20 10 BDCDMN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC000770504565 585575310 /nfs/dbraw/zinc/57/53/10/585575310.db2.gz JJOJBSOLKFNQQY-JQWIXIFHSA-N 0 1 249.310 1.633 20 10 BDCDMN Cc1cc(CNCc2cc(F)ccc2O)ncn1 ZINC000779101128 585745316 /nfs/dbraw/zinc/74/53/16/585745316.db2.gz LIJPUOPHFLWBDJ-UHFFFAOYSA-N 0 1 247.273 1.920 20 10 BDCDMN CC[C@@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000820419189 587047692 /nfs/dbraw/zinc/04/76/92/587047692.db2.gz PIEAEZZZZJGRSA-SECBINFHSA-N 0 1 227.235 1.484 20 10 BDCDMN Cc1cccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1O ZINC000821112364 587096710 /nfs/dbraw/zinc/09/67/10/587096710.db2.gz VQECCROIRGMVOU-LLVKDONJSA-N 0 1 235.283 1.750 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C/C=C\CO)cc1Cl ZINC000826942157 587366300 /nfs/dbraw/zinc/36/63/00/587366300.db2.gz NKEBLJKOPXRBIU-IHWYPQMZSA-N 0 1 241.718 1.992 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)C2(CO)CC2)cc1C ZINC000827903483 587408872 /nfs/dbraw/zinc/40/88/72/587408872.db2.gz IMFQDKCBPMEYRR-UHFFFAOYSA-N 0 1 235.327 1.966 20 10 BDCDMN C[C@@H](NC(=O)CN(C)C)c1ccccc1O ZINC000827930431 587410753 /nfs/dbraw/zinc/41/07/53/587410753.db2.gz KCSWUTPAISXBCW-SECBINFHSA-N 0 1 222.288 1.131 20 10 BDCDMN C[C@H](NC(=O)CN(C)C)c1ccccc1O ZINC000827978187 587414472 /nfs/dbraw/zinc/41/44/72/587414472.db2.gz KCSWUTPAISXBCW-VIFPVBQESA-N 0 1 222.288 1.131 20 10 BDCDMN CCc1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000848904826 588418270 /nfs/dbraw/zinc/41/82/70/588418270.db2.gz BRRWKBQBVHTEFD-DZGCQCFKSA-N 0 1 247.338 1.769 20 10 BDCDMN CCc1cccc(C[N@@H+](C)C[C@H](C)O)c1O ZINC000848902968 588418477 /nfs/dbraw/zinc/41/84/77/588418477.db2.gz VWKULVCQGJIOBM-JTQLQIEISA-N 0 1 223.316 1.767 20 10 BDCDMN CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000848904827 588418973 /nfs/dbraw/zinc/41/89/73/588418973.db2.gz BRRWKBQBVHTEFD-HIFRSBDPSA-N 0 1 247.338 1.769 20 10 BDCDMN COCC[N@@H+](C)Cc1c(C)cccc1O ZINC000876564199 590216558 /nfs/dbraw/zinc/21/65/58/590216558.db2.gz JQNMNLNRBPPFNT-UHFFFAOYSA-N 0 1 209.289 1.779 20 10 BDCDMN Cc1ccc(CN2CCCNC(=O)C2)c(O)c1 ZINC000876639595 590224904 /nfs/dbraw/zinc/22/49/04/590224904.db2.gz HUAHLQGPNFHGDH-UHFFFAOYSA-N 0 1 234.299 1.023 20 10 BDCDMN Cc1ccc(CN(C)[C@H]2CCNC2=O)c(O)c1 ZINC000876814218 590245226 /nfs/dbraw/zinc/24/52/26/590245226.db2.gz DOJXMDZCHUAEQX-NSHDSACASA-N 0 1 234.299 1.021 20 10 BDCDMN Cc1ccc(C[N@H+](C)C[C@H](C)O)c(O)c1 ZINC000877320678 590314933 /nfs/dbraw/zinc/31/49/33/590314933.db2.gz QEBVBNOJXLNNDX-JTQLQIEISA-N 0 1 209.289 1.513 20 10 BDCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)CO ZINC000877543738 590351884 /nfs/dbraw/zinc/35/18/84/590351884.db2.gz KVLQNNDNNXBQSW-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN CC1(CO)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877581583 590366149 /nfs/dbraw/zinc/36/61/49/590366149.db2.gz JSQZICDHZQYBTB-UHFFFAOYSA-N 0 1 243.253 1.485 20 10 BDCDMN C[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C ZINC000022220139 590389672 /nfs/dbraw/zinc/38/96/72/590389672.db2.gz TWRGTZBGTDEYEI-QMMMGPOBSA-N 0 1 207.277 1.157 20 10 BDCDMN CCN1CC(=O)N[C@@H]1c1cc(F)cc(F)c1O ZINC000887329698 592481697 /nfs/dbraw/zinc/48/16/97/592481697.db2.gz MUPYZXMLCJDODM-NSHDSACASA-N 0 1 242.225 1.121 20 10 BDCDMN C[C@@H]1NC(=O)[C@H](C)N(Cc2ccccc2O)[C@H]1C ZINC000895117519 636064810 /nfs/dbraw/zinc/06/48/10/636064810.db2.gz VQQCMSYZAWLOIH-DCAQKATOSA-N 0 1 248.326 1.490 20 10 BDCDMN Cc1nn[nH]c1C(=O)N(C)Cc1ccccc1O ZINC000189282230 634175443 /nfs/dbraw/zinc/17/54/43/634175443.db2.gz KHEBDNLNFHWESK-UHFFFAOYSA-N 0 1 246.270 1.091 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]CCCON)c(Cl)c1 ZINC000904458359 637421146 /nfs/dbraw/zinc/42/11/46/637421146.db2.gz XJZPXMFBAOOQNU-UHFFFAOYSA-N 0 1 244.722 1.724 20 10 BDCDMN C[N@H+](Cc1ccccc1O)C[C@@H]1CCC[C@@H]1O ZINC000305745872 642686925 /nfs/dbraw/zinc/68/69/25/642686925.db2.gz OXXVDSISGAZFLD-JSGCOSHPSA-N 0 1 235.327 1.985 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@H]1C(=O)[O-] ZINC000306071582 642718479 /nfs/dbraw/zinc/71/84/79/642718479.db2.gz WQWCDUSQPDYHJX-CMPLNLGQSA-N 0 1 249.310 1.935 20 10 BDCDMN C[C@H](C[N@@H+](C)Cc1ccccc1O)C(=O)[O-] ZINC000083415492 644402719 /nfs/dbraw/zinc/40/27/19/644402719.db2.gz OFTPSYAJYAQYNP-SECBINFHSA-N 0 1 223.272 1.545 20 10 BDCDMN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000086791301 644471304 /nfs/dbraw/zinc/47/13/04/644471304.db2.gz DYHQHZZSBLTANY-NSHDSACASA-N 0 1 235.283 1.831 20 10 BDCDMN O=C([O-])CC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000381191810 710608328 /nfs/dbraw/zinc/60/83/28/710608328.db2.gz YYKMQJIKQKXVPU-UHFFFAOYSA-N 0 1 247.653 1.749 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)c1cnc[nH]1 ZINC000701173772 712017759 /nfs/dbraw/zinc/01/77/59/712017759.db2.gz AKFZIHUPDPMBCH-UHFFFAOYSA-N 0 1 231.255 1.388 20 10 BDCDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1O ZINC000086816460 712082041 /nfs/dbraw/zinc/08/20/41/712082041.db2.gz AYFRLGKIJSATHC-ZDUSSCGKSA-N 0 1 235.283 1.831 20 10 BDCDMN CCCN(C)CC(=O)Nc1ccc(N)cc1 ZINC000037097847 712539061 /nfs/dbraw/zinc/53/90/61/712539061.db2.gz XKPWNIYLSCBANK-UHFFFAOYSA-N 0 1 221.304 1.549 20 10 BDCDMN CCc1ccc(CN2CC3(CCN3C)C2)c(O)c1 ZINC001276804585 972012837 /nfs/dbraw/zinc/01/28/37/972012837.db2.gz HYKXDOYOYJOZQO-UHFFFAOYSA-N 0 1 246.354 1.845 20 10 BDCDMN CO[C@H]1CN(Cc2ccc(C)cc2O)C[C@@H]1F ZINC001140947847 960744906 /nfs/dbraw/zinc/74/49/06/960744906.db2.gz IIMXCEOSTLEVGD-AAEUAGOBSA-N 0 1 239.290 1.869 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC001142502270 961460011 /nfs/dbraw/zinc/46/00/11/961460011.db2.gz LYBPPICEUVPXMK-VIFPVBQESA-N 0 1 243.253 1.627 20 10 BDCDMN COCCN(CCF)Cc1ccccc1O ZINC000697049179 963680384 /nfs/dbraw/zinc/68/03/84/963680384.db2.gz ZKHMUWFCOCEEEN-UHFFFAOYSA-N 0 1 227.279 1.810 20 10 BDCDMN COc1cccc(CN2CCOC3(CC3)C2)c1O ZINC001203601895 966703163 /nfs/dbraw/zinc/70/31/63/966703163.db2.gz PVPNFLCEMNWCRA-UHFFFAOYSA-N 0 1 249.310 1.766 20 10 BDCDMN Oc1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC001204276250 966955343 /nfs/dbraw/zinc/95/53/43/966955343.db2.gz IJILJGZBRASORZ-VIFPVBQESA-N 0 1 211.236 1.642 20 10 BDCDMN C[C@@]1([NH3+])CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001204801172 967174565 /nfs/dbraw/zinc/17/45/65/967174565.db2.gz KSKWDZRCXMCSFK-GFCCVEGCSA-N 0 1 242.269 1.594 20 10 BDCDMN [NH3+][C@H]1CN(Cc2c([O-])cccc2F)C[C@H]1F ZINC001204819013 967183773 /nfs/dbraw/zinc/18/37/73/967183773.db2.gz BAPISCHSMOUCJN-ZJUUUORDSA-N 0 1 228.242 1.012 20 10 BDCDMN Cn1ccc(C2=CNC3=NCCCC3=C2)cc1=O ZINC001240998145 968851284 /nfs/dbraw/zinc/85/12/84/968851284.db2.gz MJPZZCOJPRNELO-UHFFFAOYSA-N 0 1 241.294 1.448 20 10 BDCDMN CCc1cccc(CNCc2ccn(C)n2)c1O ZINC000691444389 969952547 /nfs/dbraw/zinc/95/25/47/969952547.db2.gz IVIFXRICMJRHGY-UHFFFAOYSA-N 0 1 245.326 1.978 20 10 BDCDMN COc1ccc(N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC001276925241 973305196 /nfs/dbraw/zinc/30/51/96/973305196.db2.gz YIQXKTAKMJFCLW-KBPBESRZSA-N 0 1 248.326 1.214 20 10 BDCDMN O=C(c1cnc[nH]1)N1CCc2cccc(O)c2C1 ZINC001147255010 973482581 /nfs/dbraw/zinc/48/25/81/973482581.db2.gz YGDRDSJTILCKAC-UHFFFAOYSA-N 0 1 243.266 1.314 20 10 BDCDMN COC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000234867316 973782636 /nfs/dbraw/zinc/78/26/36/973782636.db2.gz YZOPTCRMNPQCSM-SNVBAGLBSA-N 0 1 245.706 1.143 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231445942 977593020 /nfs/dbraw/zinc/59/30/20/977593020.db2.gz CVDKMOSSJDJZFY-SECBINFHSA-N 0 1 235.283 1.932 20 10 BDCDMN CCOC(=O)C1CN(Cc2cccc(C)c2O)C1 ZINC001231592245 977642454 /nfs/dbraw/zinc/64/24/54/977642454.db2.gz HQYBYZYLLJSLQP-UHFFFAOYSA-N 0 1 249.310 1.696 20 10 BDCDMN O=C(Cc1cnc[nH]1)NCc1c(O)cccc1F ZINC001596916711 978274035 /nfs/dbraw/zinc/27/40/35/978274035.db2.gz LKFVLWIEXXOEFR-UHFFFAOYSA-N 0 1 249.245 1.113 20 10 BDCDMN Oc1cc(CN2CCCC23CC3)cc(O)c1O ZINC001233009794 978406848 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ZINC000044780978 178195878 /nfs/dbraw/zinc/19/58/78/178195878.db2.gz OHELJZFTDFCCBN-UHFFFAOYSA-N 0 1 248.326 1.331 20 10 BDCDMN CCN(CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000007250723 342790318 /nfs/dbraw/zinc/79/03/18/342790318.db2.gz NMKJUFVFBPAOEZ-UHFFFAOYSA-N 0 1 235.331 1.060 20 10 BDCDMN CN(C)c1ccc(CN2CCNC(=O)CC2)cc1 ZINC000093101424 398308298 /nfs/dbraw/zinc/30/82/98/398308298.db2.gz MDHZEYYTTFRAAC-UHFFFAOYSA-N 0 1 247.342 1.075 20 10 BDCDMN CN(C)c1ccc(C[N@@H+](C)C(C)(C)C(N)=O)cc1 ZINC000295644572 188039654 /nfs/dbraw/zinc/03/96/54/188039654.db2.gz GUPDDXSHWFKIPL-UHFFFAOYSA-N 0 1 249.358 1.448 20 10 BDCDMN CN(C)c1ccc(CN(C)C(C)(C)C(N)=O)cc1 ZINC000295644572 188039656 /nfs/dbraw/zinc/03/96/56/188039656.db2.gz GUPDDXSHWFKIPL-UHFFFAOYSA-N 0 1 249.358 1.448 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](CO)C1 ZINC000127231702 183123056 /nfs/dbraw/zinc/12/30/56/183123056.db2.gz MKLXNWCWQYGZLM-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000127231702 183123058 /nfs/dbraw/zinc/12/30/58/183123058.db2.gz MKLXNWCWQYGZLM-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN C[C@H](C(=O)N(C)C)N(C)Cc1ccccc1O ZINC000121144995 384400470 /nfs/dbraw/zinc/40/04/70/384400470.db2.gz IAXFCPAQNYBALF-SNVBAGLBSA-N 0 1 236.315 1.301 20 10 BDCDMN CC(=O)N1CCN(Cc2cccc(C)c2O)CC1 ZINC000124505697 384646550 /nfs/dbraw/zinc/64/65/50/384646550.db2.gz ZGTQCFDZWBYCQN-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN C[N@H+](CCO)Cc1c([O-])cccc1Cl ZINC000127921995 384921985 /nfs/dbraw/zinc/92/19/85/384921985.db2.gz BMMDVQVAUXEPNV-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000127921995 384921990 /nfs/dbraw/zinc/92/19/90/384921990.db2.gz BMMDVQVAUXEPNV-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1O ZINC000272236625 385886662 /nfs/dbraw/zinc/88/66/62/385886662.db2.gz ACBQUIQOPLKFSW-JOYOIKCWSA-N 0 1 239.290 1.734 20 10 BDCDMN CC[C@@H](CO)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000295077177 386692804 /nfs/dbraw/zinc/69/28/04/386692804.db2.gz HVYBNMZOQZZHBE-JTQLQIEISA-N 0 1 227.279 1.734 20 10 BDCDMN COc1cccc(CN(C)CCF)c1O ZINC000293594700 175255359 /nfs/dbraw/zinc/25/53/59/175255359.db2.gz ITXNBLMDOAYPGJ-UHFFFAOYSA-N 0 1 213.252 1.802 20 10 BDCDMN COc1cccc(CNCc2n[nH]cc2C)c1O ZINC000291703935 175265513 /nfs/dbraw/zinc/26/55/13/175265513.db2.gz ZFKOTBNEBUFIGX-UHFFFAOYSA-N 0 1 247.298 1.722 20 10 BDCDMN COc1ccc(O)c(CNC(=O)C(F)(F)F)c1 ZINC000114540890 588874783 /nfs/dbraw/zinc/87/47/83/588874783.db2.gz CXWYDHDHPHKSNM-UHFFFAOYSA-N 0 1 249.188 1.579 20 10 BDCDMN COc1ccc(CNCc2ocnc2C)c(O)c1 ZINC000894639956 583498429 /nfs/dbraw/zinc/49/84/29/583498429.db2.gz WTIPZXMJWTYVHY-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN CC1(NCc2ccc3c(c2)CCCO3)COC1 ZINC000895754252 583720428 /nfs/dbraw/zinc/72/04/28/583720428.db2.gz MHUKKBSWJZUACD-UHFFFAOYSA-N 0 1 233.311 1.890 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000897678346 584036143 /nfs/dbraw/zinc/03/61/43/584036143.db2.gz AIYUXJWHXZCUPF-XCBNKYQSSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000897678344 584036493 /nfs/dbraw/zinc/03/64/93/584036493.db2.gz AIYUXJWHXZCUPF-GMSGAONNSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000897681472 584039487 /nfs/dbraw/zinc/03/94/87/584039487.db2.gz VRPWTDDILCOTIQ-LDYMZIIASA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000841076373 584742835 /nfs/dbraw/zinc/74/28/35/584742835.db2.gz GPROOTBQXCIIBI-HTQZYQBOSA-N 0 1 212.268 1.357 20 10 BDCDMN CC1(C)CN(Cc2cccc(F)c2[O-])C[C@@H]1[NH3+] ZINC000903986516 584835736 /nfs/dbraw/zinc/83/57/36/584835736.db2.gz LICCMNNNPGPLEK-NSHDSACASA-N 0 1 238.306 1.700 20 10 BDCDMN Cc1cc(O)c(CN[C@@H]2CNOC2)c(Cl)c1 ZINC000904424462 584880876 /nfs/dbraw/zinc/88/08/76/584880876.db2.gz SYULZYMQWNQUES-MRVPVSSYSA-N 0 1 242.706 1.347 20 10 BDCDMN COc1cccc(O)c1CN1CC(C)(CO)C1 ZINC000839145987 585092310 /nfs/dbraw/zinc/09/23/10/585092310.db2.gz ZJOXYLAMNGWJPK-UHFFFAOYSA-N 0 1 237.299 1.215 20 10 BDCDMN Cc1ccc(O)c(CN2CC(O)(C(C)C)C2)c1 ZINC000839133578 585094147 /nfs/dbraw/zinc/09/41/47/585094147.db2.gz VZVVXKCQXMELSV-UHFFFAOYSA-N 0 1 235.327 1.903 20 10 BDCDMN OCC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770511030 585575343 /nfs/dbraw/zinc/57/53/43/585575343.db2.gz VXWAHOVNIZPNBU-LBPRGKRZSA-N 0 1 235.327 1.987 20 10 BDCDMN CCOc1ccc(C[N@@H+](C)CC(=O)[O-])c(O)c1 ZINC000820387538 587045436 /nfs/dbraw/zinc/04/54/36/587045436.db2.gz SHJRCVJUXDHDFU-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000821509762 587123569 /nfs/dbraw/zinc/12/35/69/587123569.db2.gz VVLALJTVBVPHGC-JTQLQIEISA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000821509762 587123570 /nfs/dbraw/zinc/12/35/70/587123570.db2.gz VVLALJTVBVPHGC-JTQLQIEISA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000821509762 587123571 /nfs/dbraw/zinc/12/35/71/587123571.db2.gz VVLALJTVBVPHGC-JTQLQIEISA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])CCCC[NH2+]Cc1cccc(F)c1O ZINC000821522363 587125140 /nfs/dbraw/zinc/12/51/40/587125140.db2.gz ZCDMHAMUTXCRFM-UHFFFAOYSA-N 0 1 241.262 1.876 20 10 BDCDMN C[C@H](C(=O)N[C@@H](C)c1ccccc1O)N(C)C ZINC000827959824 587413622 /nfs/dbraw/zinc/41/36/22/587413622.db2.gz GBWPHFONBHPXLS-VHSXEESVSA-N 0 1 236.315 1.520 20 10 BDCDMN Oc1c(F)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057117 587940728 /nfs/dbraw/zinc/94/07/28/587940728.db2.gz IIWGIKRDQRQXJH-NSHDSACASA-N 0 1 238.306 1.763 20 10 BDCDMN C[N@@H+](Cc1cccc(F)c1[O-])CC1(C)COC1 ZINC000862477655 589216462 /nfs/dbraw/zinc/21/64/62/589216462.db2.gz PCSKNHZCRZJJGQ-UHFFFAOYSA-N 0 1 239.290 2.000 20 10 BDCDMN C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(F)c1[O-] ZINC000863487673 589293674 /nfs/dbraw/zinc/29/36/74/589293674.db2.gz TZMNJFMSDUGBKX-GZMMTYOYSA-N 0 1 224.279 1.371 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(CO)CC1 ZINC000120342227 589404748 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/nfs/dbraw/zinc/31/86/19/590318619.db2.gz GMNZXAWASSPBNI-UHFFFAOYSA-N 0 1 243.253 1.626 20 10 BDCDMN COC[C@H]1CC[N@H+]1Cc1c(C)cccc1O ZINC000877551202 590355366 /nfs/dbraw/zinc/35/53/66/590355366.db2.gz XQJCXNHHCOHFQO-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN CC1(O)CN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000877581190 590365394 /nfs/dbraw/zinc/36/53/94/590365394.db2.gz PVLRUARWEDEGIQ-UHFFFAOYSA-N 0 1 245.681 1.751 20 10 BDCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1(CO)CC1 ZINC000877642345 590383151 /nfs/dbraw/zinc/38/31/51/590383151.db2.gz VDAFASKFWJNVPZ-UHFFFAOYSA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC000128163453 590916437 /nfs/dbraw/zinc/91/64/37/590916437.db2.gz GZXNRAUIGUCETK-QMMMGPOBSA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@H](O)C1 ZINC000128163453 590916440 /nfs/dbraw/zinc/91/64/40/590916440.db2.gz GZXNRAUIGUCETK-QMMMGPOBSA-N 0 1 227.691 1.612 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000083406841 597060092 /nfs/dbraw/zinc/06/00/92/597060092.db2.gz KJGXRCXISSERAH-QMMMGPOBSA-N 0 1 209.245 1.297 20 10 BDCDMN CC(C)[C@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000158742302 598212554 /nfs/dbraw/zinc/21/25/54/598212554.db2.gz AXWHSROFONMDGT-JTQLQIEISA-N 0 1 241.262 1.730 20 10 BDCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1O ZINC000086776009 604474244 /nfs/dbraw/zinc/47/42/44/604474244.db2.gz RMFFHPSPGGBRPR-UHFFFAOYSA-N 0 1 237.299 1.997 20 10 BDCDMN C[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000096811789 635539646 /nfs/dbraw/zinc/53/96/46/635539646.db2.gz YJLFBGHWSUBCNF-MRVPVSSYSA-N 0 1 229.707 1.906 20 10 BDCDMN CCN(C)c1ccc([C@H](C)N[C@@H]2CNOC2)cc1 ZINC000925865125 635567091 /nfs/dbraw/zinc/56/70/91/635567091.db2.gz USXXFVPXWJNLNP-WCQYABFASA-N 0 1 249.358 1.697 20 10 BDCDMN C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1ccccc1O ZINC000895117518 636065681 /nfs/dbraw/zinc/06/56/81/636065681.db2.gz VQQCMSYZAWLOIH-AXFHLTTASA-N 0 1 248.326 1.490 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C(=O)[O-] ZINC000306071584 642719730 /nfs/dbraw/zinc/71/97/30/642719730.db2.gz WQWCDUSQPDYHJX-JQWIXIFHSA-N 0 1 249.310 1.935 20 10 BDCDMN Cc1ccc(O)c(CNCc2cc[nH]n2)c1 ZINC000070955290 643086567 /nfs/dbraw/zinc/08/65/67/643086567.db2.gz YEXNBFYRFHEURT-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN O=C(NCc1ccccc1O)C(F)(F)F ZINC000082277870 643291985 /nfs/dbraw/zinc/29/19/85/643291985.db2.gz OWOFCPOGSIRNBP-UHFFFAOYSA-N 0 1 219.162 1.571 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC1 ZINC000087784407 643674224 /nfs/dbraw/zinc/67/42/24/643674224.db2.gz NTBIMHREWYAGHS-SNVBAGLBSA-N 0 1 227.691 1.924 20 10 BDCDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000086791299 644472264 /nfs/dbraw/zinc/47/22/64/644472264.db2.gz DYHQHZZSBLTANY-LLVKDONJSA-N 0 1 235.283 1.831 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H](CO)CCF ZINC000846097264 645405053 /nfs/dbraw/zinc/40/50/53/645405053.db2.gz PACUQUPJQJIXLJ-SNVBAGLBSA-N 0 1 247.697 1.856 20 10 BDCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708413779 712193628 /nfs/dbraw/zinc/19/36/28/712193628.db2.gz NYOASLDNIJRXAA-SNVBAGLBSA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1ccc([C@@H](C)NCc2cnn(C)n2)c(O)c1 ZINC000389808451 711089895 /nfs/dbraw/zinc/08/98/95/711089895.db2.gz BTEGZMLQGMZCOG-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN CC[S@@](C)(=O)=NC(=O)c1cccc(O)c1O ZINC000395788108 711216261 /nfs/dbraw/zinc/21/62/61/711216261.db2.gz ROXMUZKKBMHONQ-MRXNPFEDSA-N 0 1 243.284 1.356 20 10 BDCDMN CCCn1cc(CNCc2ccccc2O)nn1 ZINC000714497333 712492212 /nfs/dbraw/zinc/49/22/12/712492212.db2.gz FGBBBLVOTICJFZ-UHFFFAOYSA-N 0 1 246.314 1.684 20 10 BDCDMN C[C@]1(O)CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332327 978560744 /nfs/dbraw/zinc/56/07/44/978560744.db2.gz HGFOGIMJBCPKLG-LBPRGKRZSA-N 0 1 243.253 1.627 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001236170054 979423130 /nfs/dbraw/zinc/42/31/30/979423130.db2.gz UJNGSKCQIWEYLC-QMMMGPOBSA-N 0 1 210.252 1.064 20 10 BDCDMN CCn1cc(CN[C@H](C)c2ccccc2O)nn1 ZINC000404505074 971171513 /nfs/dbraw/zinc/17/15/13/971171513.db2.gz LBGIEHFYDLMDPH-SNVBAGLBSA-N 0 1 246.314 1.854 20 10 BDCDMN [O-]c1cc(F)cc(F)c1C[NH+]1CC2(COC2)C1 ZINC001140580277 958987174 /nfs/dbraw/zinc/98/71/74/958987174.db2.gz VREDBNYBEXZVIA-UHFFFAOYSA-N 0 1 241.237 1.503 20 10 BDCDMN CC(=O)[C@@H]1CCCN1Cc1cc(O)ccc1O ZINC001141162883 960418285 /nfs/dbraw/zinc/41/82/85/960418285.db2.gz IZBQERWGOYHEQY-LBPRGKRZSA-N 0 1 235.283 1.651 20 10 BDCDMN COc1cccc(CN2CCC[C@H]2C(C)=O)c1O ZINC001203602026 966699191 /nfs/dbraw/zinc/69/91/91/966699191.db2.gz XDJGGFSQEXOKSB-LBPRGKRZSA-N 0 1 249.310 1.954 20 10 BDCDMN COc1cc(CN2CCCC2)cc(O)c1O ZINC001204340200 966973121 /nfs/dbraw/zinc/97/31/21/966973121.db2.gz HIJIJWCKSZQYHM-UHFFFAOYSA-N 0 1 223.272 1.702 20 10 BDCDMN [NH3+][C@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@H]1F ZINC001204836241 967189750 /nfs/dbraw/zinc/18/97/50/967189750.db2.gz AZYLYQSLKRQHCD-BDAKNGLRSA-N 0 1 246.232 1.151 20 10 BDCDMN C[C@H]1CC[C@@H](C[NH3+])N1Cc1c([O-])cccc1F ZINC001205063811 967314322 /nfs/dbraw/zinc/31/43/22/967314322.db2.gz CBUNIBDCTIZRRF-UWVGGRQHSA-N 0 1 238.306 1.843 20 10 BDCDMN C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)C[C@H]1[NH3+] ZINC001206070129 968040355 /nfs/dbraw/zinc/04/03/55/968040355.db2.gz BMUXVVYPVHQUOO-GMSGAONNSA-N 0 1 242.269 1.449 20 10 BDCDMN Oc1cc(O)c(C[N@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001144509201 972856067 /nfs/dbraw/zinc/85/60/67/972856067.db2.gz OVAASZCFSWBFPT-MRVPVSSYSA-N 0 1 241.262 1.737 20 10 BDCDMN COc1ccc(O)c(Nc2ccncc2)c1 ZINC001173883578 975952473 /nfs/dbraw/zinc/95/24/73/975952473.db2.gz NEQJXDTYWBMKII-UHFFFAOYSA-N 0 1 216.240 1.961 20 10 BDCDMN Oc1cc(O)c(CN2CCC2)cc1Cl ZINC001232258609 977983339 /nfs/dbraw/zinc/98/33/39/977983339.db2.gz LWGGPTGMSAIXCU-UHFFFAOYSA-N 0 1 213.664 1.957 20 10 BDCDMN COC[C@@H]1CCN1Cc1cc(O)c(O)cc1O ZINC001233487884 978612228 /nfs/dbraw/zinc/61/22/28/978612228.db2.gz VKJROYZWZMXOAU-VIFPVBQESA-N 0 1 239.271 1.024 20 10 BDCDMN Oc1cc(O)c(CN2CCSCC2)cc1O ZINC001233483489 978612862 /nfs/dbraw/zinc/61/28/62/978612862.db2.gz AUMPJFDDKJWUAF-UHFFFAOYSA-N 0 1 241.312 1.352 20 10 BDCDMN C[C@@H]([NH2+]CCC(=O)[O-])c1c(O)cccc1F ZINC001603248017 979411812 /nfs/dbraw/zinc/41/18/12/979411812.db2.gz SDRGYWGDSPUBRN-SSDOTTSWSA-N 0 1 227.235 1.657 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001236171345 979426674 /nfs/dbraw/zinc/42/66/74/979426674.db2.gz APIGDYWSLVJWIV-ZETCQYMHSA-N 0 1 228.242 1.203 20 10 BDCDMN [NH3+]C[C@H]1CCCN1Cc1c([O-])ccc(F)c1F ZINC001236250165 979468278 /nfs/dbraw/zinc/46/82/78/979468278.db2.gz GMBWYBOTSAEGDQ-MRVPVSSYSA-N 0 1 242.269 1.594 20 10 BDCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236296570 979505341 /nfs/dbraw/zinc/50/53/41/979505341.db2.gz SVNWJBUYGOSRHK-GZMMTYOYSA-N 0 1 240.253 1.074 20 10 BDCDMN C[C@H]([NH3+])CN(C)Cc1c([O-])ccc(F)c1F ZINC001236904456 979792996 /nfs/dbraw/zinc/79/29/96/979792996.db2.gz ODRPNMQLJOGETG-ZETCQYMHSA-N 0 1 230.258 1.449 20 10 BDCDMN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c(O)c1 ZINC001605273266 979849016 /nfs/dbraw/zinc/84/90/16/979849016.db2.gz STUFFWKZVKMMSM-CQSZACIVSA-N 0 1 249.310 1.997 20 10 BDCDMN O=C([O-])[C@@H]([NH2+]Cc1cccc(F)c1O)C1CC1 ZINC001608550630 980229843 /nfs/dbraw/zinc/22/98/43/980229843.db2.gz WWBKOXGPMHLODW-JTQLQIEISA-N 0 1 239.246 1.484 20 10 BDCDMN CN(Cc1ccccc1O)c1nccnc1CN ZINC001185838944 980284693 /nfs/dbraw/zinc/28/46/93/980284693.db2.gz UBZZVLHCMRWGCV-UHFFFAOYSA-N 0 1 244.298 1.277 20 10 BDCDMN CO[C@H](C)C1CN(Cc2ccc(O)c(O)c2)C1 ZINC001203881558 982580531 /nfs/dbraw/zinc/58/05/31/982580531.db2.gz QTYMGDSQDILWOL-SECBINFHSA-N 0 1 237.299 1.565 20 10 BDCDMN C[C@H](C[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC001118331323 988229224 /nfs/dbraw/zinc/22/92/24/988229224.db2.gz PFZNSNRPIXFOQZ-SSDOTTSWSA-N 0 1 227.235 1.342 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001137831506 990853196 /nfs/dbraw/zinc/85/31/96/990853196.db2.gz CAHWFUCTTCCTKP-PWSUYJOCSA-N 0 1 243.253 1.436 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)CC[C@@H]1O ZINC001137833124 990855693 /nfs/dbraw/zinc/85/56/93/990855693.db2.gz UHUMDEOALBXESY-CABZTGNLSA-N 0 1 239.290 1.734 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]1CO ZINC001137833020 990856547 /nfs/dbraw/zinc/85/65/47/990856547.db2.gz PXAJVRGRMCKPQC-VIFPVBQESA-N 0 1 225.263 1.488 20 10 BDCDMN Cc1ccc(C)c(CN2CCC23COC3)c1O ZINC001140182256 991555361 /nfs/dbraw/zinc/55/53/61/991555361.db2.gz MTFUTYVUBLHIOU-UHFFFAOYSA-N 0 1 233.311 1.984 20 10 BDCDMN COC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001560787087 991603658 /nfs/dbraw/zinc/60/36/58/991603658.db2.gz JSDCCSBTFYHBQC-SNVBAGLBSA-N 0 1 245.706 1.143 20 10 BDCDMN O=C([O-])[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000083413617 345918321 /nfs/dbraw/zinc/91/83/21/345918321.db2.gz BBSGSCVFNYIJCI-SNVBAGLBSA-N 0 1 221.256 1.299 20 10 BDCDMN CCN1CC(=O)N[C@H]1c1cccc(Cl)c1O ZINC000189862652 347312585 /nfs/dbraw/zinc/31/25/85/347312585.db2.gz SFODHKDZNPTIOC-LLVKDONJSA-N 0 1 240.690 1.496 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000272344925 183153548 /nfs/dbraw/zinc/15/35/48/183153548.db2.gz ZIZQXGOCSHAHHU-VIFPVBQESA-N 0 1 225.263 1.346 20 10 BDCDMN CCN(C)C(=O)CNCc1ccc2c(c1)CCO2 ZINC000185182599 384687313 /nfs/dbraw/zinc/68/73/13/384687313.db2.gz ZSMAROTZJUFWAQ-UHFFFAOYSA-N 0 1 248.326 1.189 20 10 BDCDMN CN(C)C(=O)CN(C)Cc1ccc(N(C)C)cc1 ZINC000102675119 384721506 /nfs/dbraw/zinc/72/15/06/384721506.db2.gz BPEXYJDRDCUKRF-UHFFFAOYSA-N 0 1 249.358 1.273 20 10 BDCDMN Cc1nc(CN(C)Cc2ccccc2O)n[nH]1 ZINC000272233167 385886265 /nfs/dbraw/zinc/88/62/65/385886265.db2.gz FBZZOSPSJKWACE-UHFFFAOYSA-N 0 1 232.287 1.451 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294905691 386692335 /nfs/dbraw/zinc/69/23/35/386692335.db2.gz MWPPTBDJNBWVMM-UHFFFAOYSA-N 0 1 233.670 1.609 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1COC1 ZINC000527818962 387709872 /nfs/dbraw/zinc/70/98/72/387709872.db2.gz WGTZQGVSRRBZBM-UHFFFAOYSA-N 0 1 227.691 1.782 20 10 BDCDMN CC[N@@H+](CCCO)Cc1cc(F)ccc1O ZINC000272292938 397976915 /nfs/dbraw/zinc/97/69/15/397976915.db2.gz OMHWAZNQMYAKDL-UHFFFAOYSA-N 0 1 227.279 1.736 20 10 BDCDMN C[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000090739540 410009283 /nfs/dbraw/zinc/00/92/83/410009283.db2.gz DGFFMEFEACGOCV-SSDOTTSWSA-N 0 1 215.680 1.516 20 10 BDCDMN CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000082306180 173086872 /nfs/dbraw/zinc/08/68/72/173086872.db2.gz GPZFTHSNSQIGTO-UHFFFAOYSA-N 0 1 240.734 1.793 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1CO ZINC000276698732 176175501 /nfs/dbraw/zinc/17/55/01/176175501.db2.gz DVEGQJLXCCQCET-BXKDBHETSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@@H](O)CC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894033275 583276660 /nfs/dbraw/zinc/27/66/60/583276660.db2.gz FVYAGUFHOPCPAA-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1COCO1 ZINC000894873982 583541083 /nfs/dbraw/zinc/54/10/83/583541083.db2.gz UQAZLSUMFZIKIP-QMMMGPOBSA-N 0 1 243.690 1.508 20 10 BDCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895654425 583701236 /nfs/dbraw/zinc/70/12/36/583701236.db2.gz RICHJUHYBKLTMB-BXKDBHETSA-N 0 1 239.702 1.612 20 10 BDCDMN O=C(NO[C@@H]1CCCCO1)C1=CC(=O)CS1 ZINC000731872444 584930174 /nfs/dbraw/zinc/93/01/74/584930174.db2.gz KOGGHAFVLCAQPB-SECBINFHSA-N 0 1 243.284 1.642 20 10 BDCDMN C[C@H](NC(=O)C1=CC(=O)CS1)c1nnc[nH]1 ZINC000748379585 585191978 /nfs/dbraw/zinc/19/19/78/585191978.db2.gz PUNMZMZGGZSKDE-YFKPBYRVSA-N 0 1 238.272 1.063 20 10 BDCDMN CN(CC(N)=O)Cc1ccc2ccccc2c1O ZINC000816484602 586736359 /nfs/dbraw/zinc/73/63/59/586736359.db2.gz IQWYJEOWHUXCNF-UHFFFAOYSA-N 0 1 244.294 1.463 20 10 BDCDMN C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2O)C1 ZINC000817412730 586801732 /nfs/dbraw/zinc/80/17/32/586801732.db2.gz ONBBIHFUUTWYID-RYUDHWBXSA-N 0 1 235.327 1.843 20 10 BDCDMN CC[C@@H](NC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955665 586847054 /nfs/dbraw/zinc/84/70/54/586847054.db2.gz DTUTWYCORSDCEH-LLVKDONJSA-N 0 1 224.279 1.544 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1O)CCCC2 ZINC000820569570 587055137 /nfs/dbraw/zinc/05/51/37/587055137.db2.gz ZHIOJSPOPNMTAU-UHFFFAOYSA-N 0 1 249.310 1.787 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C2(CO)CC2)cc1Cl ZINC000825436669 587319439 /nfs/dbraw/zinc/31/94/39/587319439.db2.gz ZFTLVJNBCMEXHV-UHFFFAOYSA-N 0 1 241.718 1.969 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](C)[C@H]1O ZINC000827151972 587371461 /nfs/dbraw/zinc/37/14/61/587371461.db2.gz OISOFLGMNNNAEE-YABSGUDNSA-N 0 1 235.327 1.841 20 10 BDCDMN C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000841023790 587935369 /nfs/dbraw/zinc/93/53/69/587935369.db2.gz FVOBREODOTYWMM-KWQFWETISA-N 0 1 224.279 1.453 20 10 BDCDMN Nc1ccc(Cc2nc(C3(N)CCC3)no2)cc1 ZINC000842617511 588045890 /nfs/dbraw/zinc/04/58/90/588045890.db2.gz UHUAUVIVJAGRAT-UHFFFAOYSA-N 0 1 244.298 1.581 20 10 BDCDMN Nc1ccc(Cc2nc([C@H]3CCCN3)no2)cc1 ZINC000842644275 588048522 /nfs/dbraw/zinc/04/85/22/588048522.db2.gz UMDVFIUNBUWNPY-LLVKDONJSA-N 0 1 244.298 1.667 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H](C)[NH2+]1 ZINC000843048944 588076960 /nfs/dbraw/zinc/07/69/60/588076960.db2.gz BGZBMWVXYXRMAW-NXEZZACHSA-N 0 1 238.306 1.714 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@H](C)C[NH2+]1 ZINC000843120082 588083260 /nfs/dbraw/zinc/08/32/60/588083260.db2.gz VJHDWKKQDMBRSF-NXEZZACHSA-N 0 1 238.306 1.714 20 10 BDCDMN CCc1cccc(CN(C)Cc2nnc[nH]2)c1O ZINC000848886349 588416942 /nfs/dbraw/zinc/41/69/42/588416942.db2.gz DQKIRHIHEMHPEM-UHFFFAOYSA-N 0 1 246.314 1.705 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)[C@H](C)N(C)C)c1 ZINC000862758202 589237719 /nfs/dbraw/zinc/23/77/19/589237719.db2.gz SLCNISGHMRLGGU-JTQLQIEISA-N 0 1 236.315 1.267 20 10 BDCDMN Cc1cccc(O)c1CN(C)CC(=O)N(C)C ZINC000876541896 590212753 /nfs/dbraw/zinc/21/27/53/590212753.db2.gz LNZNADBVZSJACV-UHFFFAOYSA-N 0 1 236.315 1.221 20 10 BDCDMN Cc1ccc(CN[C@H](C)c2nncn2C)c(O)c1 ZINC000877016434 590269556 /nfs/dbraw/zinc/26/95/56/590269556.db2.gz GHWJWPJHWPQQDF-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN C[N@@H+](CCCCO)Cc1ccc(F)c(F)c1[O-] ZINC000877470864 590335203 /nfs/dbraw/zinc/33/52/03/590335203.db2.gz KMFPWXPNHBYADE-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN Cc1ccc(C[N@@H+](C)CCC(N)=O)c(O)c1 ZINC000877520673 590345891 /nfs/dbraw/zinc/34/58/91/590345891.db2.gz FAWKVYWFWBISLB-UHFFFAOYSA-N 0 1 222.288 1.008 20 10 BDCDMN CCOC1CN(Cc2c(C)cccc2O)C1 ZINC000877579901 590364821 /nfs/dbraw/zinc/36/48/21/590364821.db2.gz IFTLRXPHMSGZSG-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN CO[C@@]1(C[N@H+]2Cc3cccc(O)c3C2)CCOC1 ZINC000877702797 590396808 /nfs/dbraw/zinc/39/68/08/590396808.db2.gz HVPSRNLDXXZEIM-CQSZACIVSA-N 0 1 249.310 1.513 20 10 BDCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000877717631 590399171 /nfs/dbraw/zinc/39/91/71/590399171.db2.gz NAAGPNCSENOBCR-UHFFFAOYSA-N 0 1 235.283 1.963 20 10 BDCDMN CO[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000300045463 592501525 /nfs/dbraw/zinc/50/15/25/592501525.db2.gz LGLYVVPMWSYTRL-SNVBAGLBSA-N 0 1 225.263 1.752 20 10 BDCDMN C[C@@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000165158196 598212860 /nfs/dbraw/zinc/21/28/60/598212860.db2.gz IGMKWQABMKOBKO-ZCFIWIBFSA-N 0 1 213.208 1.094 20 10 BDCDMN CNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000165413398 633091690 /nfs/dbraw/zinc/09/16/90/633091690.db2.gz SQJQSRFAQAOFED-UHFFFAOYSA-N 0 1 242.706 1.223 20 10 BDCDMN C[C@H](CC(N)=O)[NH2+]Cc1c([O-])cccc1Cl ZINC000158895988 641657218 /nfs/dbraw/zinc/65/72/18/641657218.db2.gz MUYRELKHUHQZDZ-SSDOTTSWSA-N 0 1 242.706 1.399 20 10 BDCDMN Cc1ncc(CNCc2ccccc2O)o1 ZINC000398108972 711401895 /nfs/dbraw/zinc/40/18/95/711401895.db2.gz QJBLZFMJMYWRSV-UHFFFAOYSA-N 0 1 218.256 1.978 20 10 BDCDMN CN1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083552432 711916572 /nfs/dbraw/zinc/91/65/72/711916572.db2.gz AAIZEWFMLZVHGN-SECBINFHSA-N 0 1 240.734 1.839 20 10 BDCDMN CN1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083552430 711916611 /nfs/dbraw/zinc/91/66/11/711916611.db2.gz AAIZEWFMLZVHGN-VIFPVBQESA-N 0 1 240.734 1.839 20 10 BDCDMN COC[C@@H](C[N@@H+](C)Cc1ccccc1O)OC ZINC000701148629 712016862 /nfs/dbraw/zinc/01/68/62/712016862.db2.gz XMLXBIXZBRNLCS-GFCCVEGCSA-N 0 1 239.315 1.485 20 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ZINC001204274558 966954021 /nfs/dbraw/zinc/95/40/21/966954021.db2.gz FETGJVWJKGWCFL-UHFFFAOYSA-N 0 1 235.283 1.463 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)cc2O)[C@@H](C)CO1 ZINC001204278172 966960039 /nfs/dbraw/zinc/96/00/39/966960039.db2.gz WMBBOSSARHWQEC-VHSXEESVSA-N 0 1 237.299 1.707 20 10 BDCDMN CC[N@@H+](CCOC)Cc1c([O-])cccc1F ZINC001137831826 967822851 /nfs/dbraw/zinc/82/28/51/967822851.db2.gz PACLKVMZVPGMBV-UHFFFAOYSA-N 0 1 227.279 2.000 20 10 BDCDMN C[N@@H+](Cc1c([O-])cccc1F)CC1(C)COC1 ZINC001137837481 967901792 /nfs/dbraw/zinc/90/17/92/967901792.db2.gz IQYFJHZJDCWUHL-UHFFFAOYSA-N 0 1 239.290 2.000 20 10 BDCDMN CC1([NH2+]Cc2ccc(Cl)cc2[O-])COC1 ZINC001207100668 968629469 /nfs/dbraw/zinc/62/94/69/968629469.db2.gz DIDHTSLEMAHYFO-UHFFFAOYSA-N 0 1 227.691 1.924 20 10 BDCDMN C[C@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144500318 972848055 /nfs/dbraw/zinc/84/80/55/972848055.db2.gz RZRZPVTTZZNCKY-QMMMGPOBSA-N 0 1 239.271 1.024 20 10 BDCDMN CN1C[C@H]2C[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277013808 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HNLIEAHBPDJHED-ZDUSSCGKSA-N 0 1 247.342 1.369 20 10 BDCDMN O=C([O-])[C@@H](F)C[NH2+]Cc1cc(F)cc(F)c1O ZINC001332018231 974923551 /nfs/dbraw/zinc/92/35/51/974923551.db2.gz WKPZFNVFARWOTN-QMMMGPOBSA-N 0 1 249.188 1.183 20 10 BDCDMN COCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231447853 977591077 /nfs/dbraw/zinc/59/10/77/977591077.db2.gz XDIXHPAPHDCDPJ-UHFFFAOYSA-N 0 1 239.271 1.169 20 10 BDCDMN Cc1cc(C)c(CN2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001231847080 977763328 /nfs/dbraw/zinc/76/33/28/977763328.db2.gz VKQQLYNOETWMCF-TXEJJXNPSA-N 0 1 233.311 1.982 20 10 BDCDMN O=C1CCN(Cc2ccc(F)c(F)c2O)C1 ZINC001233077069 978462448 /nfs/dbraw/zinc/46/24/48/978462448.db2.gz CXSMBIOKOPTTAC-UHFFFAOYSA-N 0 1 227.210 1.445 20 10 BDCDMN O=C([O-])C1C[NH+](Cc2cc(F)c(F)cc2O)C1 ZINC001601848196 978856431 /nfs/dbraw/zinc/85/64/31/978856431.db2.gz GCOKKUSTIXSVRT-UHFFFAOYSA-N 0 1 243.209 1.187 20 10 BDCDMN C[N@@H+](CCO)Cc1c([O-])c(F)ccc1F ZINC001236254568 979470857 /nfs/dbraw/zinc/47/08/57/979470857.db2.gz BELWXEVSHSWRIG-UHFFFAOYSA-N 0 1 217.215 1.095 20 10 BDCDMN CCC[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001589669656 982859813 /nfs/dbraw/zinc/85/98/13/982859813.db2.gz LQVFTADGSPSWGC-UHFFFAOYSA-N 0 1 241.262 1.828 20 10 BDCDMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001589669656 982859816 /nfs/dbraw/zinc/85/98/16/982859816.db2.gz LQVFTADGSPSWGC-UHFFFAOYSA-N 0 1 241.262 1.828 20 10 BDCDMN [O-]c1cccc(F)c1CN[C@H]1CCC[NH2+]C1 ZINC001574440556 984113379 /nfs/dbraw/zinc/11/33/79/984113379.db2.gz XDOIBUYKMXSZEP-VIFPVBQESA-N 0 1 224.279 1.373 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833030 990855501 /nfs/dbraw/zinc/85/55/01/990855501.db2.gz QCRCDYOCVKBBHM-VIFPVBQESA-N 0 1 225.263 1.752 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C[C@@H]1O ZINC001137833168 990856446 /nfs/dbraw/zinc/85/64/46/990856446.db2.gz VWLYWKFSCKVLTI-RNCFNFMXSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128763 990887794 /nfs/dbraw/zinc/88/77/94/990887794.db2.gz YDRNMHQESFDQKM-MWLCHTKSSA-N 0 1 239.290 1.877 20 10 BDCDMN C[C@H](NC(=O)c1ncn[nH]1)c1ccccc1O ZINC001302538575 995125720 /nfs/dbraw/zinc/12/57/20/995125720.db2.gz VPWVZBSCQITUMR-ZETCQYMHSA-N 0 1 232.243 1.001 20 10 BDCDMN C[C@H](NC(=O)c1nc[nH]n1)c1ccccc1O ZINC001302538575 995125724 /nfs/dbraw/zinc/12/57/24/995125724.db2.gz VPWVZBSCQITUMR-ZETCQYMHSA-N 0 1 232.243 1.001 20 10 BDCDMN CC(C)(O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552536 398284026 /nfs/dbraw/zinc/28/40/26/398284026.db2.gz JAABLPHSLNYGKV-UHFFFAOYSA-N 0 1 229.707 1.906 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]CCO ZINC000083662417 187285668 /nfs/dbraw/zinc/28/56/68/187285668.db2.gz ZHENAFXVIYBBDH-UHFFFAOYSA-N 0 1 201.653 1.128 20 10 BDCDMN CC[N@@H+](Cc1cc(C)ccc1O)[C@H]1CCNC1=O ZINC000281894270 351915105 /nfs/dbraw/zinc/91/51/05/351915105.db2.gz YOBBMOJXIACCRI-LBPRGKRZSA-N 0 1 248.326 1.411 20 10 BDCDMN COC(=O)C1(C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000279176709 188030679 /nfs/dbraw/zinc/03/06/79/188030679.db2.gz HXSJSJSVIDSLRZ-UHFFFAOYSA-N 0 1 249.310 1.777 20 10 BDCDMN C[C@@H](CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552155 384310013 /nfs/dbraw/zinc/31/00/13/384310013.db2.gz RFRDYXZNKKLEBY-MRVPVSSYSA-N 0 1 229.707 1.764 20 10 BDCDMN COC[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000160242720 384396276 /nfs/dbraw/zinc/39/62/76/384396276.db2.gz GTCYPNBBUCHFCE-SNVBAGLBSA-N 0 1 239.290 2.000 20 10 BDCDMN C[C@@H](C(=O)NC1CC1)N(C)Cc1ccccc1O ZINC000109773587 385189145 /nfs/dbraw/zinc/18/91/45/385189145.db2.gz JTSYZOGFPJUQEV-JTQLQIEISA-N 0 1 248.326 1.491 20 10 BDCDMN Cc1ccc(O)c(CN[C@H](C)c2ncnn2C)c1 ZINC000276755089 386372120 /nfs/dbraw/zinc/37/21/20/386372120.db2.gz UACMZBIKZOUGLN-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN O=C(c1c(F)ccc(O)c1O)N1CCCO1 ZINC000279228306 386652995 /nfs/dbraw/zinc/65/29/95/386652995.db2.gz PWMCGQAUMJLAQZ-UHFFFAOYSA-N 0 1 227.191 1.014 20 10 BDCDMN C[C@H](O)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000291119794 398089540 /nfs/dbraw/zinc/08/95/40/398089540.db2.gz UTUQNQQEQUKVDO-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000291119794 398089545 /nfs/dbraw/zinc/08/95/45/398089545.db2.gz UTUQNQQEQUKVDO-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN CCn1cnnc1CN[C@H](C)c1ccccc1O ZINC000228791327 172236772 /nfs/dbraw/zinc/23/67/72/172236772.db2.gz YBTYOYYAPVLCOZ-SNVBAGLBSA-N 0 1 246.314 1.854 20 10 BDCDMN CN1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000160193324 173017760 /nfs/dbraw/zinc/01/77/60/173017760.db2.gz PUFKNHMOIMVQDU-UHFFFAOYSA-N 0 1 238.306 1.669 20 10 BDCDMN COc1cccc(CNCc2cc(C)no2)c1O ZINC000044985741 175265462 /nfs/dbraw/zinc/26/54/62/175265462.db2.gz IPIQJWHMBWXHEF-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000035782507 176304050 /nfs/dbraw/zinc/30/40/50/176304050.db2.gz VEUCBBYBKGZDDZ-GHMZBOCLSA-N 0 1 220.316 1.878 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@H+](CCO)C1CC1 ZINC000893944034 583256531 /nfs/dbraw/zinc/25/65/31/583256531.db2.gz NHRQWXKTDJDBJR-UHFFFAOYSA-N 0 1 243.253 1.627 20 10 BDCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1C ZINC000897683427 584040155 /nfs/dbraw/zinc/04/01/55/584040155.db2.gz DDSRVAHVOJHRFF-RISCZKNCSA-N 0 1 235.327 1.822 20 10 BDCDMN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1C ZINC000897683425 584040455 /nfs/dbraw/zinc/04/04/55/584040455.db2.gz DDSRVAHVOJHRFF-BXUZGUMPSA-N 0 1 235.327 1.822 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC000897684464 584040582 /nfs/dbraw/zinc/04/05/82/584040582.db2.gz PPMTWQJDBJEWHT-BXKDBHETSA-N 0 1 207.273 1.205 20 10 BDCDMN Oc1ccccc1CN1CC[C@H](O)[C@H](F)C1 ZINC000898194190 584096060 /nfs/dbraw/zinc/09/60/60/584096060.db2.gz WAHARMHFQCRCCP-PWSUYJOCSA-N 0 1 225.263 1.297 20 10 BDCDMN CC1(C)CN(Cc2cccc(F)c2[O-])C[C@H]1[NH3+] ZINC000903986515 584835502 /nfs/dbraw/zinc/83/55/02/584835502.db2.gz LICCMNNNPGPLEK-LLVKDONJSA-N 0 1 238.306 1.700 20 10 BDCDMN C[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649302 585682381 /nfs/dbraw/zinc/68/23/81/585682381.db2.gz NYPAICIVUNFWAE-UHFFFAOYSA-N 0 1 246.669 1.102 20 10 BDCDMN C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775649302 585682382 /nfs/dbraw/zinc/68/23/82/585682382.db2.gz NYPAICIVUNFWAE-UHFFFAOYSA-N 0 1 246.669 1.102 20 10 BDCDMN CN(CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775649302 585682383 /nfs/dbraw/zinc/68/23/83/585682383.db2.gz NYPAICIVUNFWAE-UHFFFAOYSA-N 0 1 246.669 1.102 20 10 BDCDMN CN(Cc1cn[nH]c1)Cc1cc(F)ccc1O ZINC000779020512 585744134 /nfs/dbraw/zinc/74/41/34/585744134.db2.gz MPWVITOWIPBUDD-UHFFFAOYSA-N 0 1 235.262 1.886 20 10 BDCDMN C[C@H](NCc1ccccc1O)c1ncnn1C ZINC000788971523 585932662 /nfs/dbraw/zinc/93/26/62/585932662.db2.gz KKPGNEZLROVCFV-VIFPVBQESA-N 0 1 232.287 1.372 20 10 BDCDMN O=C(Nc1cn[nH]c1)c1c(F)ccc(O)c1O ZINC000790069754 585957402 /nfs/dbraw/zinc/95/74/02/585957402.db2.gz RQJVFSOJDFRJKM-UHFFFAOYSA-N 0 1 237.190 1.212 20 10 BDCDMN C[C@@H](NC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817956026 586846734 /nfs/dbraw/zinc/84/67/34/586846734.db2.gz OBQKONCWIIOISV-SSDOTTSWSA-N 0 1 210.252 1.154 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000818849176 586914095 /nfs/dbraw/zinc/91/40/95/586914095.db2.gz BMASBOYEXBGFGK-SNVBAGLBSA-N 0 1 237.299 1.914 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000819895304 587001033 /nfs/dbraw/zinc/00/10/33/587001033.db2.gz FQERWMKCINOGMI-SSDOTTSWSA-N 0 1 243.690 1.951 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)O)cc1Cl ZINC000825378644 587317426 /nfs/dbraw/zinc/31/74/26/587317426.db2.gz CQRBNXJOESQWQA-QMMMGPOBSA-N 0 1 229.707 1.824 20 10 BDCDMN CN(Cc1cnc[nH]1)Cc1cc(F)ccc1O ZINC000826768525 587361542 /nfs/dbraw/zinc/36/15/42/587361542.db2.gz BMFJVVOSZOQHNZ-UHFFFAOYSA-N 0 1 235.262 1.886 20 10 BDCDMN [O-]c1c(F)cccc1CNC[C@H]1CCC[NH2+]1 ZINC000841035760 587937987 /nfs/dbraw/zinc/93/79/87/587937987.db2.gz LKUCVAMQCBCHAM-SNVBAGLBSA-N 0 1 224.279 1.373 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1O ZINC000844938523 588219585 /nfs/dbraw/zinc/21/95/85/588219585.db2.gz VJERCQJMMANBPS-SNVBAGLBSA-N 0 1 241.262 1.826 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1O ZINC000844938523 588219586 /nfs/dbraw/zinc/21/95/86/588219586.db2.gz VJERCQJMMANBPS-SNVBAGLBSA-N 0 1 241.262 1.826 20 10 BDCDMN CC(=O)N1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876526352 590208434 /nfs/dbraw/zinc/20/84/34/590208434.db2.gz XYCHOGCKRPBNNE-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN C[C@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877076659 590278851 /nfs/dbraw/zinc/27/88/51/590278851.db2.gz OURUEYRNRRRSJL-SECBINFHSA-N 0 1 221.304 1.182 20 10 BDCDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877467643 590334273 /nfs/dbraw/zinc/33/42/73/590334273.db2.gz LNBVZBAUVHKQJK-CBAPKCEASA-N 0 1 243.253 1.626 20 10 BDCDMN CC1(O)CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000877581058 590366038 /nfs/dbraw/zinc/36/60/38/590366038.db2.gz MDLRUVSQFSJDMP-UHFFFAOYSA-N 0 1 245.681 1.751 20 10 BDCDMN CC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000878455046 590570421 /nfs/dbraw/zinc/57/04/21/590570421.db2.gz NTIDAPQUPRREGM-NSHDSACASA-N 0 1 220.316 1.992 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000739631436 597054689 /nfs/dbraw/zinc/05/46/89/597054689.db2.gz GMCIFLDGXUGKSE-UHFFFAOYSA-N 0 1 235.283 1.397 20 10 BDCDMN C[C@@H](N[C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925866966 635572586 /nfs/dbraw/zinc/57/25/86/635572586.db2.gz XQXMNSXBMVJELC-ZYHUDNBSSA-N 0 1 235.331 1.307 20 10 BDCDMN C[N@H+](CCC[NH3+])Cc1c(O)cccc1Cl ZINC000227742787 641738966 /nfs/dbraw/zinc/73/89/66/641738966.db2.gz YQIPICICSZLOGV-UHFFFAOYSA-N 0 1 228.723 1.826 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C/C=C\CO ZINC000717536377 712660903 /nfs/dbraw/zinc/66/09/03/712660903.db2.gz XXBKHSLRCJHQFF-UPHRSURJSA-N 0 1 227.691 1.684 20 10 BDCDMN C[NH2+]CCN(C)Cc1cccc(F)c1[O-] ZINC000381797637 710716492 /nfs/dbraw/zinc/71/64/92/710716492.db2.gz CDVFTGJJZZGGKS-UHFFFAOYSA-N 0 1 212.268 1.183 20 10 BDCDMN CN(C)C1CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000394403406 711191452 /nfs/dbraw/zinc/19/14/52/711191452.db2.gz DEPIYPBNNPNRSR-UHFFFAOYSA-N 0 1 234.303 1.047 20 10 BDCDMN COC[C@H](O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000070589370 711895794 /nfs/dbraw/zinc/89/57/94/711895794.db2.gz CIYLNYJYXPASFP-SNVBAGLBSA-N 0 1 245.706 1.143 20 10 BDCDMN [O-]c1c(C[N@H+]2CCCOCC2)ccc(F)c1F ZINC000703489605 712077532 /nfs/dbraw/zinc/07/75/32/712077532.db2.gz GPNGJPKMGIXZOM-UHFFFAOYSA-N 0 1 243.253 1.893 20 10 BDCDMN CC(C)N(C)CC(=O)N(C)c1ccc(N)cc1 ZINC000037272251 712564818 /nfs/dbraw/zinc/56/48/18/712564818.db2.gz JOBQIEJFGNXBIQ-UHFFFAOYSA-N 0 1 235.331 1.572 20 10 BDCDMN O=C1CN(Cc2cccc(Cl)c2O)CCO1 ZINC001231914210 977797985 /nfs/dbraw/zinc/79/79/85/977797985.db2.gz IBQOUBQCIIDVSA-UHFFFAOYSA-N 0 1 241.674 1.404 20 10 BDCDMN Oc1cc(O)c(CN2CC=CC2)cc1O ZINC001233482218 978613464 /nfs/dbraw/zinc/61/34/64/978613464.db2.gz FOTZLTOCVUYLAF-UHFFFAOYSA-N 0 1 207.229 1.175 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)CC(=O)[O-])c(Cl)c1 ZINC001600286569 978685175 /nfs/dbraw/zinc/68/51/75/978685175.db2.gz PZESHPHOPWKNLU-UHFFFAOYSA-N 0 1 243.690 1.870 20 10 BDCDMN Cc1cc(O)c(C[N@@H+](C)CC(=O)[O-])c(Cl)c1 ZINC001600286569 978685181 /nfs/dbraw/zinc/68/51/81/978685181.db2.gz PZESHPHOPWKNLU-UHFFFAOYSA-N 0 1 243.690 1.870 20 10 BDCDMN Oc1ccc(F)cc1CN1CC2(CC(O)C2)C1 ZINC001140057787 957502682 /nfs/dbraw/zinc/50/26/82/957502682.db2.gz MIPXOJJAGZYLKD-UHFFFAOYSA-N 0 1 237.274 1.488 20 10 BDCDMN CN1CCOc2cc(CN3CC=CC3)ccc21 ZINC001141140007 960886562 /nfs/dbraw/zinc/88/65/62/960886562.db2.gz HDCULEUTWWAGJG-UHFFFAOYSA-N 0 1 230.311 1.887 20 10 BDCDMN Oc1ccc(O)c(CN2CC3(C2)CCOC3)c1 ZINC001141155704 960891821 /nfs/dbraw/zinc/89/18/21/960891821.db2.gz GCRLGUMAOYKCKK-UHFFFAOYSA-N 0 1 235.283 1.320 20 10 BDCDMN Oc1ccc(O)c(CN2CC[C@]23CCOC3)c1 ZINC001141161890 960901071 /nfs/dbraw/zinc/90/10/71/960901071.db2.gz HGYDSZNKEWJFIH-CYBMUJFWSA-N 0 1 235.283 1.463 20 10 BDCDMN [O-]c1cccc(F)c1CN1CCC[NH2+]CC1 ZINC001204661177 961057676 /nfs/dbraw/zinc/05/76/76/961057676.db2.gz ZHDRIGVMPHRRDC-UHFFFAOYSA-N 0 1 224.279 1.327 20 10 BDCDMN [O-]c1ccc(F)c(F)c1CN1CCC[NH2+]CC1 ZINC001204674801 961390200 /nfs/dbraw/zinc/39/02/00/961390200.db2.gz FBUMCCUANUCPKJ-UHFFFAOYSA-N 0 1 242.269 1.466 20 10 BDCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])[C@@H]1CCOC1 ZINC001142524669 961476144 /nfs/dbraw/zinc/47/61/44/961476144.db2.gz GCAZBEOAZUCPDD-SECBINFHSA-N 0 1 243.253 1.891 20 10 BDCDMN CC1(C[NH3+])CN(Cc2c([O-])cccc2F)C1 ZINC001206717752 966396922 /nfs/dbraw/zinc/39/69/22/966396922.db2.gz FFMXTFGSCVUMIJ-UHFFFAOYSA-N 0 1 224.279 1.312 20 10 BDCDMN CCOc1cccc(CN2CC3(COC3)C2)c1O ZINC001203602220 966703036 /nfs/dbraw/zinc/70/30/36/966703036.db2.gz JNHWVIMFMDFZJZ-UHFFFAOYSA-N 0 1 249.310 1.623 20 10 BDCDMN COc1ccc(O)c(CN2CC3(CC(O)C3)C2)c1 ZINC001203665335 966728556 /nfs/dbraw/zinc/72/85/56/966728556.db2.gz GSSPKJDUQVHZSL-UHFFFAOYSA-N 0 1 249.310 1.358 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)cc2O)CCCC1=O ZINC001204271723 966951182 /nfs/dbraw/zinc/95/11/82/966951182.db2.gz CUYGFXWPDIWSBO-SNVBAGLBSA-N 0 1 249.310 1.899 20 10 BDCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c([O-])cccc1F ZINC001137831693 967820136 /nfs/dbraw/zinc/82/01/36/967820136.db2.gz KCZNWFRQZJRWTD-ZJUUUORDSA-N 0 1 239.290 1.734 20 10 BDCDMN CCCN(Cc1nnc[nH]1)Cc1ccccc1O ZINC001327511257 972605714 /nfs/dbraw/zinc/60/57/14/972605714.db2.gz GCPOHBJUSPUZGZ-UHFFFAOYSA-N 0 1 246.314 1.923 20 10 BDCDMN COC(=O)c1ccc(O)c(Nc2ccncc2)c1 ZINC001173883565 975956480 /nfs/dbraw/zinc/95/64/80/975956480.db2.gz MSCGDKMTTQJSGV-UHFFFAOYSA-N 0 1 244.250 1.739 20 10 BDCDMN CO[C@H]1CN(Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590803 977644544 /nfs/dbraw/zinc/64/45/44/977644544.db2.gz IBUKYLAFTNFGFR-RYUDHWBXSA-N 0 1 239.290 1.869 20 10 BDCDMN Cc1cc(C)c(CN2CCCNC(=O)C2)c(O)c1 ZINC001231841534 977762671 /nfs/dbraw/zinc/76/26/71/977762671.db2.gz BLLQGXAKHGOJMG-UHFFFAOYSA-N 0 1 248.326 1.331 20 10 BDCDMN OCC1(F)CN(Cc2cccc(Cl)c2O)C1 ZINC001231909718 977794462 /nfs/dbraw/zinc/79/44/62/977794462.db2.gz HUGSOQFAYPSUFB-UHFFFAOYSA-N 0 1 245.681 1.562 20 10 BDCDMN O=C1CN(Cc2cccc(Cl)c2O)C1 ZINC001231911769 977798948 /nfs/dbraw/zinc/79/89/48/977798948.db2.gz MEHVYOMEVIHIFU-UHFFFAOYSA-N 0 1 211.648 1.430 20 10 BDCDMN Oc1cc(CN2CCC3(CC3)C2)cc(O)c1O ZINC001233014196 978414118 /nfs/dbraw/zinc/41/41/18/978414118.db2.gz MRWFRUITYYZFPP-UHFFFAOYSA-N 0 1 235.283 1.789 20 10 BDCDMN CC1CN(Cc2cc(O)c(O)cc2O)C1 ZINC001233483328 978610250 /nfs/dbraw/zinc/61/02/50/978610250.db2.gz VXTDFTWTJQCRPI-UHFFFAOYSA-N 0 1 209.245 1.255 20 10 BDCDMN O=C([O-])[C@H](CF)[NH2+]Cc1cc(F)c(F)cc1O ZINC001601650898 978827264 /nfs/dbraw/zinc/82/72/64/978827264.db2.gz RRRYMRRVEUPMPX-QMMMGPOBSA-N 0 1 249.188 1.183 20 10 BDCDMN C[C@H]([NH2+]CCC(=O)[O-])c1c(O)cccc1F ZINC001603248018 979415424 /nfs/dbraw/zinc/41/54/24/979415424.db2.gz SDRGYWGDSPUBRN-ZETCQYMHSA-N 0 1 227.235 1.657 20 10 BDCDMN [O-]c1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236284298 979488019 /nfs/dbraw/zinc/48/80/19/979488019.db2.gz HPODOOJWWVWVKU-KCJUWKMLSA-N 0 1 238.718 1.449 20 10 BDCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001604500050 979663582 /nfs/dbraw/zinc/66/35/82/979663582.db2.gz CORUYCFUUPBUJT-ZDUSSCGKSA-N 0 1 234.299 1.565 20 10 BDCDMN CCc1ccc(CN2CC(C(=O)OC)C2)c(O)c1 ZINC001236782863 979728152 /nfs/dbraw/zinc/72/81/52/979728152.db2.gz GFRILBKFJZFDOS-UHFFFAOYSA-N 0 1 249.310 1.559 20 10 BDCDMN Cc1cc(CNCc2ccc3c(c2)CCO3)[nH]n1 ZINC000716459448 979833071 /nfs/dbraw/zinc/83/30/71/979833071.db2.gz XJSDYZUYIQVIMU-UHFFFAOYSA-N 0 1 243.310 1.943 20 10 BDCDMN CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(N)cc1 ZINC001345159485 980570656 /nfs/dbraw/zinc/57/06/56/980570656.db2.gz HUIQXWQLJMYKGU-UHFFFAOYSA-N 0 1 249.358 1.473 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001138122393 984801084 /nfs/dbraw/zinc/80/10/84/984801084.db2.gz BNEIMWQWYSUEOB-GXSJLCMTSA-N 0 1 243.253 1.436 20 10 BDCDMN Nc1ccc(NC(=O)c2cnncc2O)cc1 ZINC001580449373 986857962 /nfs/dbraw/zinc/85/79/62/986857962.db2.gz KEQPGOBOKDKGJT-UHFFFAOYSA-N 0 1 230.227 1.017 20 10 BDCDMN Oc1ccc(F)cc1CN1CC[C@]12CCOC2 ZINC001118055196 987996001 /nfs/dbraw/zinc/99/60/01/987996001.db2.gz IOUBWKNEIBSWFU-CYBMUJFWSA-N 0 1 237.274 1.896 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001137831504 990854490 /nfs/dbraw/zinc/85/44/90/990854490.db2.gz CAHWFUCTTCCTKP-CMPLNLGQSA-N 0 1 243.253 1.436 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001137832839 990855245 /nfs/dbraw/zinc/85/52/45/990855245.db2.gz JWBCGAFVLKMMRM-AOOOYVTPSA-N 0 1 237.274 1.610 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272347382 183151051 /nfs/dbraw/zinc/15/10/51/183151051.db2.gz ZYEIYRRSWBLSON-SNVBAGLBSA-N 0 1 225.263 1.488 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294915256 183293021 /nfs/dbraw/zinc/29/30/21/183293021.db2.gz SQSKGLOHNIBGBS-OCAPTIKFSA-N 0 1 227.691 1.659 20 10 BDCDMN CN(Cc1cnn(C)c1)Cc1ccccc1O ZINC000111235163 383842773 /nfs/dbraw/zinc/84/27/73/383842773.db2.gz DFQOQQMVQOVKRU-UHFFFAOYSA-N 0 1 231.299 1.758 20 10 BDCDMN Cn1ccnc1CNCc1ccccc1O ZINC000070797619 384137446 /nfs/dbraw/zinc/13/74/46/384137446.db2.gz BOJIQHAXPMYRSH-UHFFFAOYSA-N 0 1 217.272 1.416 20 10 BDCDMN CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020195362 384593848 /nfs/dbraw/zinc/59/38/48/384593848.db2.gz YGMAKENSWRMOLK-JTQLQIEISA-N 0 1 229.707 1.906 20 10 BDCDMN COC(=O)[C@H]1CCCN1Cc1ccccc1O ZINC000179555447 385474402 /nfs/dbraw/zinc/47/44/02/385474402.db2.gz WEYDOZLTJBTVCL-LLVKDONJSA-N 0 1 235.283 1.530 20 10 BDCDMN CCC[C@@H]1C(=O)NCCN1Cc1ccccc1O ZINC000179582459 385475597 /nfs/dbraw/zinc/47/55/97/385475597.db2.gz KRJZDHBXPKSMSC-GFCCVEGCSA-N 0 1 248.326 1.493 20 10 BDCDMN Cc1ccc(O)c(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000372653893 387319191 /nfs/dbraw/zinc/31/91/91/387319191.db2.gz ZBMKFUGLBDBWAY-RYUDHWBXSA-N 0 1 239.290 1.605 20 10 BDCDMN CN(C)C(=O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551481 172370099 /nfs/dbraw/zinc/37/00/99/172370099.db2.gz TZLAPDIPSIBHOV-UHFFFAOYSA-N 0 1 242.706 1.223 20 10 BDCDMN CC(=O)N1CCN(Cc2ccccc2O)CC1 ZINC000084857710 519587876 /nfs/dbraw/zinc/58/78/76/519587876.db2.gz GSICHAZTBDNJIK-UHFFFAOYSA-N 0 1 234.299 1.056 20 10 BDCDMN Oc1ccccc1CN1CCc2n[nH]cc2C1 ZINC000857876313 588919077 /nfs/dbraw/zinc/91/90/77/588919077.db2.gz CFNDODZHVLUDFD-UHFFFAOYSA-N 0 1 229.283 1.674 20 10 BDCDMN COc1cc(C)cc(CNCc2ncc[nH]2)c1O ZINC000895423046 583673507 /nfs/dbraw/zinc/67/35/07/583673507.db2.gz WEICUHHUUAEUEK-UHFFFAOYSA-N 0 1 247.298 1.722 20 10 BDCDMN C[C@@H]1C[NH2+]C[C@H]1NCc1cccc(F)c1[O-] ZINC000903964424 584834241 /nfs/dbraw/zinc/83/42/41/584834241.db2.gz QKSSFESHLCWVLA-LDYMZIIASA-N 0 1 224.279 1.229 20 10 BDCDMN CN(C)c1ccc(/C=C/CN[C@H]2CNOC2)cc1 ZINC000904423843 584880143 /nfs/dbraw/zinc/88/01/43/584880143.db2.gz JJSFFMXYNNPPFQ-OOPCZODUSA-N 0 1 247.342 1.259 20 10 BDCDMN Cc1cc(O)c(CN[C@H]2CNOC2)c(Cl)c1 ZINC000904424463 584881207 /nfs/dbraw/zinc/88/12/07/584881207.db2.gz SYULZYMQWNQUES-QMMMGPOBSA-N 0 1 242.706 1.347 20 10 BDCDMN Oc1cccc(Cl)c1CN[C@@H]1CNOC1 ZINC000904421802 584882513 /nfs/dbraw/zinc/88/25/13/584882513.db2.gz SDVKPNKHOYKETB-SSDOTTSWSA-N 0 1 228.679 1.039 20 10 BDCDMN CC[N@@H+](CCO)Cc1c(O)cccc1OC ZINC000768141290 585532976 /nfs/dbraw/zinc/53/29/76/585532976.db2.gz VPYZFTMFCSNBDN-UHFFFAOYSA-N 0 1 225.288 1.215 20 10 BDCDMN O=C(Nc1ccccn1)c1c(F)ccc(O)c1O ZINC000790070208 585957424 /nfs/dbraw/zinc/95/74/24/585957424.db2.gz LKLPMQSEYNPIGT-UHFFFAOYSA-N 0 1 248.213 1.884 20 10 BDCDMN C[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809746295 586517298 /nfs/dbraw/zinc/51/72/98/586517298.db2.gz SPONGWQQSFEFGS-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809746295 586517300 /nfs/dbraw/zinc/51/73/00/586517300.db2.gz SPONGWQQSFEFGS-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN CC[N@@H+](Cc1cc(F)ccc1O)[C@@H](C)CO ZINC000816653855 586752585 /nfs/dbraw/zinc/75/25/85/586752585.db2.gz KUHOYCZOSQKNIA-VIFPVBQESA-N 0 1 227.279 1.734 20 10 BDCDMN COc1cc(C[N@@H+](C)CC(=O)[O-])c(O)cc1C ZINC000820763819 587071116 /nfs/dbraw/zinc/07/11/16/587071116.db2.gz DYBOOCWPSARVER-UHFFFAOYSA-N 0 1 239.271 1.226 20 10 BDCDMN O=C(CN1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356297 587316578 /nfs/dbraw/zinc/31/65/78/587316578.db2.gz PUMAUXYTQHWFHG-UHFFFAOYSA-N 0 1 246.310 1.330 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@]1(C)CO ZINC000827700460 587397386 /nfs/dbraw/zinc/39/73/86/587397386.db2.gz UKCZMKMPXNKFOI-RISCZKNCSA-N 0 1 235.327 1.843 20 10 BDCDMN CN(C)C1(C(=O)NCc2ccccc2O)CC1 ZINC000830526578 587556087 /nfs/dbraw/zinc/55/60/87/587556087.db2.gz OJOXNFNZIQOHFV-UHFFFAOYSA-N 0 1 234.299 1.103 20 10 BDCDMN [NH3+]C[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000843054572 588076645 /nfs/dbraw/zinc/07/66/45/588076645.db2.gz UFWCIENOEYHMAC-SNVBAGLBSA-N 0 1 224.279 1.454 20 10 BDCDMN CCc1cccc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000848903543 588418790 /nfs/dbraw/zinc/41/87/90/588418790.db2.gz WAQISUCOHCDRCV-UHFFFAOYSA-N 0 1 235.327 1.910 20 10 BDCDMN CCNC(=O)CN(C)Cc1ccc(C)cc1O ZINC000876621908 590222957 /nfs/dbraw/zinc/22/29/57/590222957.db2.gz LYVRKHAPWNJAES-UHFFFAOYSA-N 0 1 236.315 1.269 20 10 BDCDMN CC[N@@H+](CCCO)Cc1ccc(F)c(F)c1[O-] ZINC000876766883 590239846 /nfs/dbraw/zinc/23/98/46/590239846.db2.gz VLLPWQIDJWWMKU-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN Cc1ccc(CNCc2cc[nH]n2)c(O)c1 ZINC000876914949 590256527 /nfs/dbraw/zinc/25/65/27/590256527.db2.gz JJIKBVLZNPWIGP-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN Cc1cccc(O)c1CNCc1cc[nH]n1 ZINC000876914970 590256574 /nfs/dbraw/zinc/25/65/74/590256574.db2.gz JPMUODBIHZQFPP-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN CC1(NCc2ccc3c(c2)CCO3)COC1 ZINC000877690575 590392368 /nfs/dbraw/zinc/39/23/68/590392368.db2.gz BCTKDIONAUJFMM-UHFFFAOYSA-N 0 1 219.284 1.500 20 10 BDCDMN CN(C)c1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000086789460 598127761 /nfs/dbraw/zinc/12/77/61/598127761.db2.gz CBIQDJPATCDLRM-LBPRGKRZSA-N 0 1 248.326 1.659 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000086790163 598130109 /nfs/dbraw/zinc/13/01/09/598130109.db2.gz ICSHEPYACGRASV-SNVBAGLBSA-N 0 1 235.283 1.607 20 10 BDCDMN COc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000086756622 598182289 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/nfs/dbraw/zinc/58/58/88/982585888.db2.gz CXOQKNZVBKFKRW-MRVPVSSYSA-N 0 1 241.262 1.684 20 10 BDCDMN Oc1cc(F)cc(F)c1CN1CCO[C@@H]2C[C@@H]21 ZINC001140585632 960442568 /nfs/dbraw/zinc/44/25/68/960442568.db2.gz QEEGVNIVOHHADY-CMPLNLGQSA-N 0 1 241.237 1.644 20 10 BDCDMN Oc1ccc(O)c(CN2CC[C@@]23CCOC3)c1 ZINC001141161896 960907907 /nfs/dbraw/zinc/90/79/07/960907907.db2.gz HGYDSZNKEWJFIH-ZDUSSCGKSA-N 0 1 235.283 1.463 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC001142521030 961475528 /nfs/dbraw/zinc/47/55/28/961475528.db2.gz UZLZEMGFUAZPOE-MRVPVSSYSA-N 0 1 243.253 1.485 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC001203549928 966673479 /nfs/dbraw/zinc/67/34/79/966673479.db2.gz DASBWCQDWBAZNA-SMDDNHRTSA-N 0 1 235.327 1.985 20 10 BDCDMN OCC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203878431 966790423 /nfs/dbraw/zinc/79/04/23/966790423.db2.gz UIERUTSTIPWJOI-UHFFFAOYSA-N 0 1 237.299 1.302 20 10 BDCDMN Oc1ccc(CN2CCN(C3CC3)CC2)cc1O ZINC001203874066 966806088 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248.326 1.411 20 10 BDCDMN O=C1CN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237619960 979978534 /nfs/dbraw/zinc/97/85/34/979978534.db2.gz GOPAXTRFTWSTKC-UHFFFAOYSA-N 0 1 229.638 1.569 20 10 BDCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CCCC1 ZINC001193589967 981376980 /nfs/dbraw/zinc/37/69/80/981376980.db2.gz SWVFDKFITTZKDO-UHFFFAOYSA-N 0 1 241.674 1.987 20 10 BDCDMN C[C@]1(NCc2cc(F)c(F)cc2[O-])CC[NH2+]C1 ZINC001573627304 984038439 /nfs/dbraw/zinc/03/84/39/984038439.db2.gz ZCEAUSTWDIWKQN-LBPRGKRZSA-N 0 1 242.269 1.512 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001138122394 984801056 /nfs/dbraw/zinc/80/10/56/984801056.db2.gz BNEIMWQWYSUEOB-KOLCDFICSA-N 0 1 243.253 1.436 20 10 BDCDMN Cc1cc(CN2Cc3cccc(O)c3C2)n[nH]1 ZINC001119303513 988920187 /nfs/dbraw/zinc/92/01/87/988920187.db2.gz AHEYENRBYJBKNN-UHFFFAOYSA-N 0 1 229.283 1.940 20 10 BDCDMN C[C@@H]1CN(Cc2c([O-])cccc2F)CCC1=O ZINC001137831623 990853412 /nfs/dbraw/zinc/85/34/12/990853412.db2.gz HXNXQTNLHCNIEN-SECBINFHSA-N 0 1 237.274 1.942 20 10 BDCDMN COC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833099 990853712 /nfs/dbraw/zinc/85/37/12/990853712.db2.gz SMVSWKBLOWLMPO-SNVBAGLBSA-N 0 1 239.290 2.000 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001137831528 990854250 /nfs/dbraw/zinc/85/42/50/990854250.db2.gz CUHRHCODABSDSA-SNVBAGLBSA-N 0 1 239.290 1.736 20 10 BDCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138122456 990883855 /nfs/dbraw/zinc/88/38/55/990883855.db2.gz GOJHJSVBUGOINT-KOLCDFICSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128761 990885572 /nfs/dbraw/zinc/88/55/72/990885572.db2.gz YDRNMHQESFDQKM-GXSJLCMTSA-N 0 1 239.290 1.877 20 10 BDCDMN OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140053255 991511192 /nfs/dbraw/zinc/51/11/92/991511192.db2.gz XFRNCNQTFAWGQK-LBPRGKRZSA-N 0 1 239.290 1.878 20 10 BDCDMN Cc1ccc(C)c(CN2C[C@H]3C[C@@H](C2)O3)c1O ZINC001140182028 991549745 /nfs/dbraw/zinc/54/97/45/991549745.db2.gz GDAKICJVUCZAPU-TXEJJXNPSA-N 0 1 233.311 1.982 20 10 BDCDMN Cc1ccc(C)c(CN2CC(C)(O)C2)c1O ZINC001140178598 991551705 /nfs/dbraw/zinc/55/17/05/991551705.db2.gz PYJQMQKOAGTBOO-UHFFFAOYSA-N 0 1 221.300 1.576 20 10 BDCDMN Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC001140182769 991558631 /nfs/dbraw/zinc/55/86/31/991558631.db2.gz ZRMQCJGCBXNIQP-RYUDHWBXSA-N 0 1 233.311 1.982 20 10 BDCDMN COc1ccc(O)c(CNCc2cnccn2)c1 ZINC000700509182 993838425 /nfs/dbraw/zinc/83/84/25/993838425.db2.gz WPGCBUSLAVWJIA-UHFFFAOYSA-N 0 1 245.282 1.481 20 10 BDCDMN C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000035602969 343299728 /nfs/dbraw/zinc/29/97/28/343299728.db2.gz MJGUYZISENODNV-SSDOTTSWSA-N 0 1 215.680 1.516 20 10 BDCDMN CC[N@@H+](Cc1cccc(F)c1[O-])[C@@H](C)CO ZINC000293535554 353752748 /nfs/dbraw/zinc/75/27/48/353752748.db2.gz CERBWAKFAMKNKR-VIFPVBQESA-N 0 1 227.279 1.734 20 10 BDCDMN CCN1CCCN(Cc2ccccc2O)CC1=O ZINC000191544032 357784735 /nfs/dbraw/zinc/78/47/35/357784735.db2.gz DILJTHXSIXMVSY-UHFFFAOYSA-N 0 1 248.326 1.446 20 10 BDCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000378502384 183147353 /nfs/dbraw/zinc/14/73/53/183147353.db2.gz YMCFTSZJVCZBGC-LBPRGKRZSA-N 0 1 235.327 1.987 20 10 BDCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000378502384 183147357 /nfs/dbraw/zinc/14/73/57/183147357.db2.gz YMCFTSZJVCZBGC-LBPRGKRZSA-N 0 1 235.327 1.987 20 10 BDCDMN c1n[nH]cc1CNCc1ccc2c(c1)CCO2 ZINC000038006421 183368439 /nfs/dbraw/zinc/36/84/39/183368439.db2.gz KKHPVKZCMWBCGG-UHFFFAOYSA-N 0 1 229.283 1.634 20 10 BDCDMN Cc1ccc(O)c([C@H](C)NCc2nncn2C)c1 ZINC000038007768 384055303 /nfs/dbraw/zinc/05/53/03/384055303.db2.gz NYOSPHVHQNXIFO-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN Cc1ccc(O)c(CN2CCOC[C@H]2C)c1 ZINC000132605422 384238354 /nfs/dbraw/zinc/23/83/54/384238354.db2.gz HTHVMGYXEQOQPS-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN C[C@H](O)CC[N@@H+](C)Cc1ccccc1O ZINC000128553241 384952431 /nfs/dbraw/zinc/95/24/31/384952431.db2.gz LSZUNGOHHAEWRB-JTQLQIEISA-N 0 1 209.289 1.595 20 10 BDCDMN COC(=O)[C@H](C)NCc1cccc(Cl)c1O ZINC000165151857 385073068 /nfs/dbraw/zinc/07/30/68/385073068.db2.gz DTIUVFSLGHXIRV-ZETCQYMHSA-N 0 1 243.690 1.697 20 10 BDCDMN CN(C)CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165418027 385122123 /nfs/dbraw/zinc/12/21/23/385122123.db2.gz NHVAGEKAEJZYLU-UHFFFAOYSA-N 0 1 226.295 1.525 20 10 BDCDMN CN(Cc1nnc[nH]1)Cc1ccccc1O ZINC000179577424 385476175 /nfs/dbraw/zinc/47/61/75/385476175.db2.gz VKGMHBFUDJPLFZ-UHFFFAOYSA-N 0 1 218.260 1.142 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1O ZINC000271407551 385826503 /nfs/dbraw/zinc/82/65/03/385826503.db2.gz WZSGUNHIKIWNIY-FZMZJTMJSA-N 0 1 235.327 1.903 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272531834 385910700 /nfs/dbraw/zinc/91/07/00/385910700.db2.gz NDLUTXPRJBSOLX-RYUDHWBXSA-N 0 1 235.327 1.903 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1COC1 ZINC000527818782 323687983 /nfs/dbraw/zinc/68/79/83/323687983.db2.gz UVYKIHZVVOYYKJ-UHFFFAOYSA-N 0 1 227.691 1.782 20 10 BDCDMN Cc1cc(N(C)C)ccc1CN[C@H]1CNOC1 ZINC000904424129 584881031 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/nfs/dbraw/zinc/12/35/75/587123575.db2.gz VVLALJTVBVPHGC-SNVBAGLBSA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000821509764 587123576 /nfs/dbraw/zinc/12/35/76/587123576.db2.gz VVLALJTVBVPHGC-SNVBAGLBSA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000821509764 587123577 /nfs/dbraw/zinc/12/35/77/587123577.db2.gz VVLALJTVBVPHGC-SNVBAGLBSA-N 0 1 239.246 1.580 20 10 BDCDMN Oc1ccccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726553 587284537 /nfs/dbraw/zinc/28/45/37/587284537.db2.gz NPPRMIIIAHCDKS-GFCCVEGCSA-N 0 1 243.253 1.594 20 10 BDCDMN COc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825103359 587304262 /nfs/dbraw/zinc/30/42/62/587304262.db2.gz CVTSFEVCBDQCOW-MWLCHTKSSA-N 0 1 237.299 1.356 20 10 BDCDMN COc1cccc(C[N@H+]2CCC3(COC3)C2)c1O ZINC000827643390 587394365 /nfs/dbraw/zinc/39/43/65/587394365.db2.gz KAGJAILOSXQMDA-UHFFFAOYSA-N 0 1 249.310 1.623 20 10 BDCDMN CC(C)(CC(=O)[O-])[NH2+]Cc1cccc(F)c1O ZINC000833456210 587715498 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/nfs/dbraw/zinc/17/37/93/644173793.db2.gz NNDGUYHDYRDNMY-UHFFFAOYSA-N 0 1 235.283 1.831 20 10 BDCDMN COc1ccc(O)c(CNCc2ccn(C)n2)c1 ZINC000096585158 644823192 /nfs/dbraw/zinc/82/31/92/644823192.db2.gz YADSRTZPZKFZBE-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN C[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000708414366 712193824 /nfs/dbraw/zinc/19/38/24/712193824.db2.gz RJXAYBCQUCUALX-QMMMGPOBSA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1ccc(O)c([C@@H](C)NCc2cn(C)nn2)c1 ZINC000389800322 711089678 /nfs/dbraw/zinc/08/96/78/711089678.db2.gz AFJZHCIBQHNUHQ-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN CC[C@H](NCc1cnn(C)n1)c1ccccc1O ZINC000389817907 711091205 /nfs/dbraw/zinc/09/12/05/711091205.db2.gz VAKURPBJHGXLKG-LBPRGKRZSA-N 0 1 246.314 1.762 20 10 BDCDMN CN1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000712569758 712447013 /nfs/dbraw/zinc/44/70/13/712447013.db2.gz CFEDBZDGEAIKGZ-LLVKDONJSA-N 0 1 240.734 1.839 20 10 BDCDMN Cc1ccc(CN(C)C2COC2)c(O)c1 ZINC001140949507 960747072 /nfs/dbraw/zinc/74/70/72/960747072.db2.gz CFKHOYDCQYGGAP-UHFFFAOYSA-N 0 1 207.273 1.531 20 10 BDCDMN CC1([NH3+])CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001204993751 963391820 /nfs/dbraw/zinc/39/18/20/963391820.db2.gz MJLGFYQBUVAXPV-UHFFFAOYSA-N 0 1 244.697 1.718 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1C(=O)[O-] ZINC000693464430 958472276 /nfs/dbraw/zinc/47/22/76/958472276.db2.gz MFWFYIDAWIIGJE-CMPLNLGQSA-N 0 1 249.310 1.935 20 10 BDCDMN O=C1CN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583492 959006778 /nfs/dbraw/zinc/00/67/78/959006778.db2.gz IWGJXKGECARUSD-UHFFFAOYSA-N 0 1 213.183 1.055 20 10 BDCDMN Cc1ccc(O)c(CN(C)C2(C)COC2)c1 ZINC001140623600 960464132 /nfs/dbraw/zinc/46/41/32/960464132.db2.gz XTTDQBULNFARQR-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN [O-]c1ccc(F)c(F)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236296376 966354850 /nfs/dbraw/zinc/35/48/50/966354850.db2.gz QXZWHCCBEFIEMU-GMSGAONNSA-N 0 1 240.253 1.074 20 10 BDCDMN Cn1cnc2c1CN(Cc1ccccc1O)CC2 ZINC001203561669 966686829 /nfs/dbraw/zinc/68/68/29/966686829.db2.gz 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IAJNORLCUNXGFP-UHFFFAOYSA-N 0 1 239.246 1.486 20 10 BDCDMN O=C([O-])C1C[NH+](Cc2cccc(F)c2O)C1 ZINC001601848159 978856405 /nfs/dbraw/zinc/85/64/05/978856405.db2.gz VNQMJMMTIYNPQA-UHFFFAOYSA-N 0 1 225.219 1.048 20 10 BDCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001604500049 979663856 /nfs/dbraw/zinc/66/38/56/979663856.db2.gz CORUYCFUUPBUJT-CYBMUJFWSA-N 0 1 234.299 1.565 20 10 BDCDMN COc1cc(O)c(CN2CCC2)cc1OC ZINC001236751156 979725591 /nfs/dbraw/zinc/72/55/91/979725591.db2.gz QQROITVTPURVTD-UHFFFAOYSA-N 0 1 223.272 1.615 20 10 BDCDMN O=C(Nc1cncnc1)c1c(F)ccc(O)c1O ZINC001183144139 979736937 /nfs/dbraw/zinc/73/69/37/979736937.db2.gz WZIPJJLHIXAWTF-UHFFFAOYSA-N 0 1 249.201 1.279 20 10 BDCDMN CN(C)Cc1cncc(-c2ccn(C)c(=O)c2)c1 ZINC001240991684 982077944 /nfs/dbraw/zinc/07/79/44/982077944.db2.gz RCNFULPCZAPLNN-UHFFFAOYSA-N 0 1 243.310 1.509 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875821 982560035 /nfs/dbraw/zinc/56/00/35/982560035.db2.gz WKJBFTLGZWXLLB-KOLCDFICSA-N 0 1 237.299 1.301 20 10 BDCDMN C[C@@H]1C[C@H](O)CCN1Cc1ccc(O)c(O)c1 ZINC001203882548 982586594 /nfs/dbraw/zinc/58/65/94/982586594.db2.gz KWCSZQZJMSGRMZ-MWLCHTKSSA-N 0 1 237.299 1.443 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1O ZINC001589443477 982789869 /nfs/dbraw/zinc/78/98/69/982789869.db2.gz JTJKMAZRUXVLMT-LLVKDONJSA-N 0 1 237.299 1.996 20 10 BDCDMN Nc1ccc(NC(=O)Nc2c[nH]nn2)cc1 ZINC001580449365 986855933 /nfs/dbraw/zinc/85/59/33/986855933.db2.gz JLEVEBYIPCCZLZ-UHFFFAOYSA-N 0 1 218.220 1.031 20 10 BDCDMN CCc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1O ZINC001597586828 988406217 /nfs/dbraw/zinc/40/62/17/988406217.db2.gz LQKJIIBHJAJKOX-SECBINFHSA-N 0 1 237.299 1.860 20 10 BDCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([O-])cccc1F ZINC001137831667 990853930 /nfs/dbraw/zinc/85/39/30/990853930.db2.gz JHCZFAGNELHULJ-BDAKNGLRSA-N 0 1 225.263 1.486 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001137831490 990854473 /nfs/dbraw/zinc/85/44/73/990854473.db2.gz BRAYZDMYSAEQKK-SECBINFHSA-N 0 1 225.263 1.488 20 10 BDCDMN C[C@]1(O)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832919 990856788 /nfs/dbraw/zinc/85/67/88/990856788.db2.gz MESQCYADPMRQBH-LBPRGKRZSA-N 0 1 225.263 1.488 20 10 BDCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c([O-])cccc1F ZINC001137839091 990859273 /nfs/dbraw/zinc/85/92/73/990859273.db2.gz QYVMGINLKCGCEX-UWVGGRQHSA-N 0 1 239.290 1.877 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC001560810940 991610519 /nfs/dbraw/zinc/61/05/19/991610519.db2.gz RKGIZEYBDKLTAP-LBPRGKRZSA-N 0 1 241.718 1.906 20 10 BDCDMN Cc1ccc(O)c(CNc2nccnc2CN)c1 ZINC001307168358 995299235 /nfs/dbraw/zinc/29/92/35/995299235.db2.gz DJTZCEKWBHKPJE-UHFFFAOYSA-N 0 1 244.298 1.561 20 10 BDCDMN CC[C@@H](NCc1nncn1C)c1ccccc1O ZINC000038007446 343364997 /nfs/dbraw/zinc/36/49/97/343364997.db2.gz DKYJEFZHQYETTA-LLVKDONJSA-N 0 1 246.314 1.762 20 10 BDCDMN Cc1cccc(CN[C@H](C)c2ncnn2C)c1O ZINC000276411325 179100617 /nfs/dbraw/zinc/10/06/17/179100617.db2.gz FILQQLLEUIGTFI-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272263823 188199353 /nfs/dbraw/zinc/19/93/53/188199353.db2.gz KKBCWEFNHSPQHC-SECBINFHSA-N 0 1 211.236 1.098 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCOCCO ZINC000020198853 183083679 /nfs/dbraw/zinc/08/36/79/183083679.db2.gz FHHKSHFDMDHFOZ-UHFFFAOYSA-N 0 1 245.706 1.144 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000132770988 384249815 /nfs/dbraw/zinc/24/98/15/384249815.db2.gz ZTWMJDWDIWXQLL-GFCCVEGCSA-N 0 1 221.300 1.921 20 10 BDCDMN COC[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000160242855 384396556 /nfs/dbraw/zinc/39/65/56/384396556.db2.gz GTCYPNBBUCHFCE-JTQLQIEISA-N 0 1 239.290 2.000 20 10 BDCDMN CN(Cc1ccccc1O)C[C@@H](O)C(F)(F)F ZINC000121592419 384427363 /nfs/dbraw/zinc/42/73/63/384427363.db2.gz QNVYIBMKUCFNBR-SNVBAGLBSA-N 0 1 249.232 1.747 20 10 BDCDMN COC(=O)[C@@]1(C)CCCN1Cc1ccccc1O ZINC000189985772 385201985 /nfs/dbraw/zinc/20/19/85/385201985.db2.gz CIMLYHNSADRXGM-CQSZACIVSA-N 0 1 249.310 1.920 20 10 BDCDMN CC(C)[C@@H]1C(=O)NCCN1Cc1ccccc1O ZINC000179569818 385474342 /nfs/dbraw/zinc/47/43/42/385474342.db2.gz LVEWURSJBJWBFU-CYBMUJFWSA-N 0 1 248.326 1.349 20 10 BDCDMN CN(Cc1nnc[nH]1)Cc1cc(F)ccc1O ZINC000180174563 385510061 /nfs/dbraw/zinc/51/00/61/385510061.db2.gz MNRCOZKUINDFPX-UHFFFAOYSA-N 0 1 236.250 1.281 20 10 BDCDMN Cc1ccc(O)c(CN[C@@H](C)c2ncnn2C)c1 ZINC000276755085 386372613 /nfs/dbraw/zinc/37/26/13/386372613.db2.gz UACMZBIKZOUGLN-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN CCc1nnc(CN[C@@H](C)c2ccccc2O)[nH]1 ZINC000274564205 171986836 /nfs/dbraw/zinc/98/68/36/171986836.db2.gz CYMVXTPQDCPPBF-VIFPVBQESA-N 0 1 246.314 1.924 20 10 BDCDMN COC(=O)c1cc(O)c(O)c(Cl)c1 ZINC000044547408 173861182 /nfs/dbraw/zinc/86/11/82/173861182.db2.gz SWRZROKGZUCAQN-UHFFFAOYSA-N 0 1 202.593 1.538 20 10 BDCDMN C[C@H]1COCCN1Cc1ccccc1O ZINC000132606273 177292898 /nfs/dbraw/zinc/29/28/98/177292898.db2.gz FZSHPGJTTXUXRF-JTQLQIEISA-N 0 1 207.273 1.613 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000897681471 584039525 /nfs/dbraw/zinc/03/95/25/584039525.db2.gz VRPWTDDILCOTIQ-KWQFWETISA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000897684644 584040082 /nfs/dbraw/zinc/04/00/82/584040082.db2.gz UKYCONJMBNVKLS-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000897684644 584040084 /nfs/dbraw/zinc/04/00/84/584040084.db2.gz UKYCONJMBNVKLS-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897684010 584040302 /nfs/dbraw/zinc/04/03/02/584040302.db2.gz JCLFFDBFUCOINX-ZWNOBZJWSA-N 0 1 221.300 1.513 20 10 BDCDMN Cc1ccc(CNCc2cn(C)cn2)c(O)c1 ZINC000898042618 584080896 /nfs/dbraw/zinc/08/08/96/584080896.db2.gz UMAXKFYIDGTUBK-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN COc1cccc(O)c1CN1CC[C@@H](F)C1 ZINC000824570266 585028864 /nfs/dbraw/zinc/02/88/64/585028864.db2.gz ABOCJQPLMIVCDV-SECBINFHSA-N 0 1 225.263 1.945 20 10 BDCDMN CC(C)C1(O)CN(Cc2ccccc2O)C1 ZINC000839132786 585093931 /nfs/dbraw/zinc/09/39/31/585093931.db2.gz LRCLUAUDLHAOJA-UHFFFAOYSA-N 0 1 221.300 1.595 20 10 BDCDMN Cc1nnc(NC(=O)C2=CC(=O)CS2)[nH]1 ZINC000741285835 585112553 /nfs/dbraw/zinc/11/25/53/585112553.db2.gz OIJNXXHMVKQGBU-UHFFFAOYSA-N 0 1 224.245 1.133 20 10 BDCDMN OCC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779201249 585747108 /nfs/dbraw/zinc/74/71/08/585747108.db2.gz CELWONZJMZWFHU-LBPRGKRZSA-N 0 1 221.300 1.739 20 10 BDCDMN Cc1ccc(O)c(CN2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802657762 586308464 /nfs/dbraw/zinc/30/84/64/586308464.db2.gz QVGSISRXLGMWSV-BETUJISGSA-N 0 1 249.310 1.300 20 10 BDCDMN CC[C@H](NC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955666 586847096 /nfs/dbraw/zinc/84/70/96/586847096.db2.gz DTUTWYCORSDCEH-NSHDSACASA-N 0 1 224.279 1.544 20 10 BDCDMN C[C@H](NC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817956027 586847107 /nfs/dbraw/zinc/84/71/07/586847107.db2.gz OBQKONCWIIOISV-ZETCQYMHSA-N 0 1 210.252 1.154 20 10 BDCDMN COc1cccc(O)c1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000820870936 587078702 /nfs/dbraw/zinc/07/87/02/587078702.db2.gz JIXCSWWFPLQPFI-MRVPVSSYSA-N 0 1 239.271 1.306 20 10 BDCDMN Cc1cccc(C[N@H+](C)[C@H](C)C(=O)[O-])c1O ZINC000821111928 587096642 /nfs/dbraw/zinc/09/66/42/587096642.db2.gz BLUULXBKLCBFHF-SECBINFHSA-N 0 1 223.272 1.606 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CO)cc1Cl ZINC000825319763 587314712 /nfs/dbraw/zinc/31/47/12/587314712.db2.gz BGWYHPHSAJKIMS-QMMMGPOBSA-N 0 1 229.707 1.824 20 10 BDCDMN C[N@@H+](Cc1ccccc1O)C1(CO)CCC1 ZINC000827903657 587408932 /nfs/dbraw/zinc/40/89/32/587408932.db2.gz NFEJTXFSFFKSSK-UHFFFAOYSA-N 0 1 221.300 1.739 20 10 BDCDMN CN1CC(=O)N[C@@H]1c1cc(Cl)c(F)cc1O ZINC000840806312 587922716 /nfs/dbraw/zinc/92/27/16/587922716.db2.gz ZTCCDLROUWKIJK-JTQLQIEISA-N 0 1 244.653 1.245 20 10 BDCDMN CC1(C)C[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843054472 588076858 /nfs/dbraw/zinc/07/68/58/588076858.db2.gz NCLMVNRNHIEOOW-UHFFFAOYSA-N 0 1 238.306 1.715 20 10 BDCDMN CCc1cccc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000848902969 588418294 /nfs/dbraw/zinc/41/82/94/588418294.db2.gz VWKULVCQGJIOBM-SNVBAGLBSA-N 0 1 223.316 1.767 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C)c1 ZINC000862760449 589237859 /nfs/dbraw/zinc/23/78/59/589237859.db2.gz RAEANDHKCCMGKH-GFCCVEGCSA-N 0 1 248.326 1.411 20 10 BDCDMN CN1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202208 589744602 /nfs/dbraw/zinc/74/46/02/589744602.db2.gz AFNOUPXQFHCZLW-LBPRGKRZSA-N 0 1 246.310 1.329 20 10 BDCDMN CC(C)[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876538380 590211893 /nfs/dbraw/zinc/21/18/93/590211893.db2.gz HUYGQGXPPYBCAP-UHFFFAOYSA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1ccc(CN[C@@H](C)c2nncn2C)c(O)c1 ZINC000877016426 590269571 /nfs/dbraw/zinc/26/95/71/590269571.db2.gz GHWJWPJHWPQQDF-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN Cc1cc(N(C)C)ccc1CNC1(C)COC1 ZINC000877691910 590392680 /nfs/dbraw/zinc/39/26/80/590392680.db2.gz XIHUOBMYRRXZNB-UHFFFAOYSA-N 0 1 234.343 1.940 20 10 BDCDMN Cc1ccc(O)c(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000134165020 591898504 /nfs/dbraw/zinc/89/85/04/591898504.db2.gz XIRBOCTXSSEDML-ZDUSSCGKSA-N 0 1 234.343 1.837 20 10 BDCDMN CCOc1cccc(C[N@@H+](C)CC(=O)[O-])c1O ZINC000077253446 598116033 /nfs/dbraw/zinc/11/60/33/598116033.db2.gz QQDDKJULHHHSLK-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000083406940 598131289 /nfs/dbraw/zinc/13/12/89/598131289.db2.gz NGGHMMSWQDMYGA-VIFPVBQESA-N 0 1 223.272 1.606 20 10 BDCDMN CC(C)[C@@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000158742456 598212762 /nfs/dbraw/zinc/21/27/62/598212762.db2.gz AXWHSROFONMDGT-SNVBAGLBSA-N 0 1 241.262 1.730 20 10 BDCDMN C[N@@H+](Cc1cc(F)ccc1O)C(C)(C)C(=O)[O-] ZINC000234281524 605477559 /nfs/dbraw/zinc/47/75/59/605477559.db2.gz AQHDHDSIJCWPIV-UHFFFAOYSA-N 0 1 241.262 1.826 20 10 BDCDMN C[C@H](NCc1cc[nH]n1)c1ccccc1O ZINC000041014121 636950957 /nfs/dbraw/zinc/95/09/57/636950957.db2.gz XPRVGRJUPIZNFH-VIFPVBQESA-N 0 1 217.272 1.966 20 10 BDCDMN CC[C@H](C(=O)Nc1ccc(N)cc1)N(C)C ZINC000062460933 641051157 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/nfs/dbraw/zinc/89/48/82/960894882.db2.gz BJVVUYAYCPJYRX-UHFFFAOYSA-N 0 1 225.313 1.647 20 10 BDCDMN CN(Cc1c([O-])cccc1F)C[C@@H]1CCC[NH2+]1 ZINC001236118130 979391715 /nfs/dbraw/zinc/39/17/15/979391715.db2.gz ADPQUXCCTKFEPL-JTQLQIEISA-N 0 1 238.306 1.715 20 10 BDCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(N)cc1 ZINC001604961342 979787831 /nfs/dbraw/zinc/78/78/31/979787831.db2.gz ITLOMPQXXUYBCC-JTQLQIEISA-N 0 1 236.315 1.954 20 10 BDCDMN CC1(CO)C[NH+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140582877 959003058 /nfs/dbraw/zinc/00/30/58/959003058.db2.gz OLTPFLKCNNZFBL-UHFFFAOYSA-N 0 1 243.253 1.485 20 10 BDCDMN O=C1CN(Cc2c(O)cc(F)cc2F)CCO1 ZINC001140584346 960444656 /nfs/dbraw/zinc/44/46/56/960444656.db2.gz NWWPAZPCAUBPFX-UHFFFAOYSA-N 0 1 243.209 1.029 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1CO ZINC001142509012 964347401 /nfs/dbraw/zinc/34/74/01/964347401.db2.gz SYGBNECSUBPDDG-SECBINFHSA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236296412 966353422 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/nfs/dbraw/zinc/78/75/43/979787543.db2.gz QVLSFHYGABZUGY-QMMMGPOBSA-N 0 1 212.268 1.310 20 10 BDCDMN Oc1cccc2c1CN(Cc1nnc[nH]1)CC2 ZINC001237602493 979958504 /nfs/dbraw/zinc/95/85/04/979958504.db2.gz UIUCZMHZSYMHQC-UHFFFAOYSA-N 0 1 230.271 1.069 20 10 BDCDMN Oc1c(Cl)cc(F)cc1CN1CC(O)C1 ZINC001237804348 980053585 /nfs/dbraw/zinc/05/35/85/980053585.db2.gz CGSRWGRWQXZJEI-UHFFFAOYSA-N 0 1 231.654 1.361 20 10 BDCDMN O=C(Cc1ccn[nH]1)N1Cc2cccc(O)c2C1 ZINC001587929333 982104692 /nfs/dbraw/zinc/10/46/92/982104692.db2.gz XVPIIJNDLOEOCC-UHFFFAOYSA-N 0 1 243.266 1.200 20 10 BDCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccon2)c1 ZINC001200854305 983403201 /nfs/dbraw/zinc/40/32/01/983403201.db2.gz PSBFTTOQCLINTB-UHFFFAOYSA-N 0 1 249.226 1.578 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)CC[C@H]1O ZINC001137833123 990855080 /nfs/dbraw/zinc/85/50/80/990855080.db2.gz UHUMDEOALBXESY-BXKDBHETSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@@]1(O)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832918 990855794 /nfs/dbraw/zinc/85/57/94/990855794.db2.gz MESQCYADPMRQBH-GFCCVEGCSA-N 0 1 225.263 1.488 20 10 BDCDMN CN(Cc1cnc(N)nc1)Cc1ccccc1O ZINC001138167720 990896500 /nfs/dbraw/zinc/89/65/00/990896500.db2.gz FILCLBIVGRAMHY-UHFFFAOYSA-N 0 1 244.298 1.396 20 10 BDCDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308791892 991137312 /nfs/dbraw/zinc/13/73/12/991137312.db2.gz RSYHNJNYPATORG-VIFPVBQESA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1ccc(CNCc2cnccn2)c(O)c1 ZINC001308978458 991247351 /nfs/dbraw/zinc/24/73/51/991247351.db2.gz MBPKLJPOKIKKHJ-UHFFFAOYSA-N 0 1 229.283 1.780 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CC(CO)C1 ZINC001139684492 991313682 /nfs/dbraw/zinc/31/36/82/991313682.db2.gz WUQXDCOXPOUJQH-UHFFFAOYSA-N 0 1 229.226 1.095 20 10 BDCDMN Oc1ccc(F)cc1CN1CC2(COC2)C1 ZINC001140058218 991512092 /nfs/dbraw/zinc/51/20/92/991512092.db2.gz VIWPZTRWFIVZSH-UHFFFAOYSA-N 0 1 223.247 1.364 20 10 BDCDMN Cn1cc(CC[N@@H+](C)Cc2ccccc2O)cn1 ZINC000077284319 344815181 /nfs/dbraw/zinc/81/51/81/344815181.db2.gz CUMQLTLRFWWDLX-UHFFFAOYSA-N 0 1 245.326 1.800 20 10 BDCDMN CN(C)c1ccc(CN(CC(N)=O)C2CC2)cc1 ZINC000298727110 188215000 /nfs/dbraw/zinc/21/50/00/188215000.db2.gz QOWKVXUKFZBRNZ-UHFFFAOYSA-N 0 1 247.342 1.202 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000083599857 183292762 /nfs/dbraw/zinc/29/27/62/183292762.db2.gz IFZQPOGBJMMXQG-GFCCVEGCSA-N 0 1 241.718 1.906 20 10 BDCDMN CN(C)c1ccc(CNCCF)cc1F ZINC000280828088 385377814 /nfs/dbraw/zinc/37/78/14/385377814.db2.gz WHLNTNUGPRPDSI-UHFFFAOYSA-N 0 1 214.259 1.951 20 10 BDCDMN CN(Cc1cnn(C)c1)Cc1cc(F)ccc1O ZINC000179888217 385497457 /nfs/dbraw/zinc/49/74/57/385497457.db2.gz GZBZUKALYWLMSS-UHFFFAOYSA-N 0 1 249.289 1.897 20 10 BDCDMN O=C1OC[C@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC000361054146 397971386 /nfs/dbraw/zinc/97/13/86/397971386.db2.gz UDLMJAZLARUOAW-LLVKDONJSA-N 0 1 248.282 1.029 20 10 BDCDMN COc1cccc(CNC(=O)C(F)(F)F)c1O ZINC000105650433 175261311 /nfs/dbraw/zinc/26/13/11/175261311.db2.gz LHSRBDDBHPIGOT-UHFFFAOYSA-N 0 1 249.188 1.579 20 10 BDCDMN C[C@H](O)CC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894033276 583277546 /nfs/dbraw/zinc/27/75/46/583277546.db2.gz FVYAGUFHOPCPAA-QMMMGPOBSA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000840952190 583178830 /nfs/dbraw/zinc/17/88/30/583178830.db2.gz VOUVYSOOZJOUCD-DTORHVGOSA-N 0 1 241.718 1.967 20 10 BDCDMN CC(C)[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893892676 583244870 /nfs/dbraw/zinc/24/48/70/583244870.db2.gz BGQGOAWBTMPABK-UHFFFAOYSA-N 0 1 245.269 1.873 20 10 BDCDMN COC(=O)CN(C)Cc1cc(F)cc(F)c1O ZINC000893947415 583258933 /nfs/dbraw/zinc/25/89/33/583258933.db2.gz IPTMTANMJBEMTF-UHFFFAOYSA-N 0 1 245.225 1.275 20 10 BDCDMN Oc1ccccc1CN1CCCn2nncc2C1 ZINC000895757546 583721371 /nfs/dbraw/zinc/72/13/71/583721371.db2.gz XJOBRIILCDQHFR-UHFFFAOYSA-N 0 1 244.298 1.390 20 10 BDCDMN CN(C)c1cc(F)c(CNCCO)cc1F ZINC000858088647 588931137 /nfs/dbraw/zinc/93/11/37/588931137.db2.gz MYMHQCRLNFHJIN-UHFFFAOYSA-N 0 1 230.258 1.113 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684875 584040383 /nfs/dbraw/zinc/04/03/83/584040383.db2.gz YHTRMTLNWXJSSK-PELKAZGASA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684875 584040385 /nfs/dbraw/zinc/04/03/85/584040385.db2.gz YHTRMTLNWXJSSK-PELKAZGASA-N 0 1 241.718 1.858 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H]2CO)cc1C ZINC000902629463 584646379 /nfs/dbraw/zinc/64/63/79/584646379.db2.gz DRGJIBYZUYPCJL-GFCCVEGCSA-N 0 1 221.300 1.576 20 10 BDCDMN COC1(C)CN(Cc2cccc(C)c2O)C1 ZINC000839101535 585090930 /nfs/dbraw/zinc/09/09/30/585090930.db2.gz MWFXLKAZPLDLNU-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN C[N@@H+](CCCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000799739646 586195798 /nfs/dbraw/zinc/19/57/98/586195798.db2.gz NZBNBLDKMJOQHW-UHFFFAOYSA-N 0 1 247.697 1.999 20 10 BDCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000824548854 587275219 /nfs/dbraw/zinc/27/52/19/587275219.db2.gz SJZRSAKIEJIOKM-SNVBAGLBSA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000824548854 587275221 /nfs/dbraw/zinc/27/52/21/587275221.db2.gz SJZRSAKIEJIOKM-SNVBAGLBSA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)O)c(Cl)c1 ZINC000840871624 587926782 /nfs/dbraw/zinc/92/67/82/587926782.db2.gz DOSZUQGEKSJNFE-QMMMGPOBSA-N 0 1 229.707 1.824 20 10 BDCDMN C[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843046873 588075139 /nfs/dbraw/zinc/07/51/39/588075139.db2.gz CUMYLOWIZDPXHQ-SECBINFHSA-N 0 1 224.279 1.325 20 10 BDCDMN C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)[NH2+]1 ZINC000843048945 588076688 /nfs/dbraw/zinc/07/66/88/588076688.db2.gz BGZBMWVXYXRMAW-UWVGGRQHSA-N 0 1 238.306 1.714 20 10 BDCDMN CCN(C)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1 ZINC000846263213 588263163 /nfs/dbraw/zinc/26/31/63/588263163.db2.gz RFTJNOSKQSQZQF-UHFFFAOYSA-N 0 1 236.315 1.659 20 10 BDCDMN COc1cccc(O)c1CNCc1conc1C ZINC000865679083 589455839 /nfs/dbraw/zinc/45/58/39/589455839.db2.gz XKUWUCGQERBEIN-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000874049782 590087736 /nfs/dbraw/zinc/08/77/36/590087736.db2.gz GKWDUICGJKVOIN-GFCCVEGCSA-N 0 1 249.310 1.997 20 10 BDCDMN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000874055481 590088931 /nfs/dbraw/zinc/08/89/31/590088931.db2.gz YJZWIWALMFLFFP-KYZUINATSA-N 0 1 239.246 1.484 20 10 BDCDMN CCN(CC(=O)NC)Cc1ccc(C)cc1O ZINC000876577712 590218045 /nfs/dbraw/zinc/21/80/45/590218045.db2.gz KTGKDXFLFWMZPR-UHFFFAOYSA-N 0 1 236.315 1.269 20 10 BDCDMN Cc1ccc(CN(C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000876754596 590239156 /nfs/dbraw/zinc/23/91/56/590239156.db2.gz UDEYTJKBFASBEZ-GFCCVEGCSA-N 0 1 248.326 1.363 20 10 BDCDMN Cc1cccc(O)c1CN(C)[C@H]1CCNC1=O ZINC000876816400 590246149 /nfs/dbraw/zinc/24/61/49/590246149.db2.gz YIDGTCXQEBCHJU-NSHDSACASA-N 0 1 234.299 1.021 20 10 BDCDMN Cc1cc(O)c(CN2CC(C)(O)C2)cc1C ZINC000877581199 590365499 /nfs/dbraw/zinc/36/54/99/590365499.db2.gz QDKFSDARMJBGQG-UHFFFAOYSA-N 0 1 221.300 1.576 20 10 BDCDMN Cc1ccc(CN2CCc3n[nH]nc3C2)c(O)c1 ZINC000877641628 590383078 /nfs/dbraw/zinc/38/30/78/590383078.db2.gz CECBWTAKLJSNCZ-UHFFFAOYSA-N 0 1 244.298 1.377 20 10 BDCDMN CC1(NCc2cc(F)ccc2O)COC1 ZINC000877691115 590393250 /nfs/dbraw/zinc/39/32/50/590393250.db2.gz IYYCQOBXASILAP-UHFFFAOYSA-N 0 1 211.236 1.410 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000083410494 598126554 /nfs/dbraw/zinc/12/65/54/598126554.db2.gz STDYMBXAIBFWOE-UHFFFAOYSA-N 0 1 223.272 1.607 20 10 BDCDMN O=C([O-])CC[NH2+]Cc1cccc(F)c1O ZINC000165148717 598212534 /nfs/dbraw/zinc/21/25/34/598212534.db2.gz TUGFDHAVXQZTBN-UHFFFAOYSA-N 0 1 213.208 1.096 20 10 BDCDMN Cc1[nH][nH]c(=O)c1Sc1nccs1 ZINC000916760448 641973911 /nfs/dbraw/zinc/97/39/11/641973911.db2.gz YKQRFSOITSDDAH-YFKPBYRVSA-N 0 1 213.287 1.110 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923004120 644227312 /nfs/dbraw/zinc/22/73/12/644227312.db2.gz QGHMBCUTNLUQPE-KYZUINATSA-N 0 1 241.718 1.906 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907835 712877349 /nfs/dbraw/zinc/87/73/49/712877349.db2.gz RTDUKLTTZOBGFX-JLIMDTESSA-N 0 1 241.718 1.906 20 10 BDCDMN Cc1ccc([C@H](C)NCc2cn(C)nn2)c(O)c1 ZINC000389808707 711088911 /nfs/dbraw/zinc/08/89/11/711088911.db2.gz DREAVALSEGVYPM-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN CN(Cc1cc(O)c(O)c(O)c1)[C@H]1CCOC1 ZINC001233012070 965454901 /nfs/dbraw/zinc/45/49/01/965454901.db2.gz IQDOVPLPDHLYJQ-VIFPVBQESA-N 0 1 239.271 1.024 20 10 BDCDMN O=C1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC001237620875 979977047 /nfs/dbraw/zinc/97/70/47/979977047.db2.gz RWGJYGZLGJVRAC-UHFFFAOYSA-N 0 1 243.665 1.960 20 10 BDCDMN CC[N@@H+](CCN(C)C)Cc1cccc(F)c1[O-] ZINC000708354546 959361795 /nfs/dbraw/zinc/36/17/95/959361795.db2.gz NKCXFQBMWZMACB-UHFFFAOYSA-N 0 1 240.322 1.915 20 10 BDCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1CCCOCC1 ZINC001140579915 960441391 /nfs/dbraw/zinc/44/13/91/960441391.db2.gz LXJBHJAXWWIWEJ-UHFFFAOYSA-N 0 1 243.253 1.893 20 10 BDCDMN COC[C@@H]1CC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140585527 960445362 /nfs/dbraw/zinc/44/53/62/960445362.db2.gz MIGAKHKTWNEWIY-VIFPVBQESA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1ccc(O)c(CN(C)C2COC2)c1 ZINC001140621303 960467230 /nfs/dbraw/zinc/46/72/30/960467230.db2.gz UXRAQFTUZFLGBT-UHFFFAOYSA-N 0 1 207.273 1.531 20 10 BDCDMN Cc1c(O)ccc(CN2CC3(COC3)C2)c1O ZINC001140742739 960543696 /nfs/dbraw/zinc/54/36/96/960543696.db2.gz XIXHKJXJQGYBTI-UHFFFAOYSA-N 0 1 235.283 1.238 20 10 BDCDMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(O)ccc1O)C2 ZINC001141159262 960894621 /nfs/dbraw/zinc/89/46/21/960894621.db2.gz BJQCGHNIAJCWSU-FZMZJTMJSA-N 0 1 249.310 1.851 20 10 BDCDMN COC[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000234785180 961640893 /nfs/dbraw/zinc/64/08/93/961640893.db2.gz RMPGGICXDGBJRI-QMMMGPOBSA-N 0 1 245.706 1.143 20 10 BDCDMN CO[C@H]1CN(Cc2ccccc2O)C[C@@H]1F ZINC001203550367 966681071 /nfs/dbraw/zinc/68/10/71/966681071.db2.gz TXTSEDIPGPWDRO-JQWIXIFHSA-N 0 1 225.263 1.561 20 10 BDCDMN Oc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001203878180 966805204 /nfs/dbraw/zinc/80/52/04/966805204.db2.gz QOHDCJAFAJLVHE-RISCZKNCSA-N 0 1 249.310 1.709 20 10 BDCDMN CN(C)c1ccc(CN(C)C2(C)COC2)cc1 ZINC001203937912 966823869 /nfs/dbraw/zinc/82/38/69/966823869.db2.gz YYKVQPRNQDXFKT-UHFFFAOYSA-N 0 1 234.343 1.973 20 10 BDCDMN O=C1NCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203549949 966925762 /nfs/dbraw/zinc/92/57/62/966925762.db2.gz DPHSGIMGIRKPFB-AWEZNQCLSA-N 0 1 246.310 1.104 20 10 BDCDMN Oc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001204277281 966956862 /nfs/dbraw/zinc/95/68/62/966956862.db2.gz XTJIICDBKLOEGN-DLOVCJGASA-N 0 1 237.274 1.888 20 10 BDCDMN CC1(C[NH3+])CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001206722993 968432977 /nfs/dbraw/zinc/43/29/77/968432977.db2.gz KCVGFMCRQMJHDO-UHFFFAOYSA-N 0 1 242.269 1.451 20 10 BDCDMN CN1CC2(C1)CN(c1ccc3c(c1)OCCO3)C2 ZINC001277013817 974175156 /nfs/dbraw/zinc/17/51/56/974175156.db2.gz IEPISXMRSXHWQR-UHFFFAOYSA-N 0 1 246.310 1.210 20 10 BDCDMN COc1ccc(N2CC3(CCN3C)C2)c(C)c1 ZINC001277018166 974186671 /nfs/dbraw/zinc/18/66/71/974186671.db2.gz FJUNYVDQWNABQP-UHFFFAOYSA-N 0 1 232.327 1.898 20 10 BDCDMN Nc1ccc(O)c(Nc2ccncc2)c1 ZINC001173883745 975958772 /nfs/dbraw/zinc/95/87/72/975958772.db2.gz ZJKBTMBGPVYSDJ-UHFFFAOYSA-N 0 1 201.229 1.535 20 10 BDCDMN Nc1cccc(O)c1Nc1ccncc1 ZINC001173884543 975964712 /nfs/dbraw/zinc/96/47/12/975964712.db2.gz TZWUFIVJMPUKNG-UHFFFAOYSA-N 0 1 201.229 1.535 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001231445868 977590428 /nfs/dbraw/zinc/59/04/28/977590428.db2.gz BYADKRXRIJTYCF-SNVBAGLBSA-N 0 1 239.246 1.634 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001231452255 977594158 /nfs/dbraw/zinc/59/41/58/977594158.db2.gz IUIHAVCEHNPLAJ-QWRGUYRKSA-N 0 1 249.266 1.064 20 10 BDCDMN O=C([O-])c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001231453434 977596711 /nfs/dbraw/zinc/59/67/11/977596711.db2.gz GVMWCSKTASXCLK-CMPLNLGQSA-N 0 1 249.266 1.064 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC001231453434 977596719 /nfs/dbraw/zinc/59/67/19/977596719.db2.gz GVMWCSKTASXCLK-CMPLNLGQSA-N 0 1 249.266 1.064 20 10 BDCDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC1 ZINC001231561504 977633993 /nfs/dbraw/zinc/63/39/93/977633993.db2.gz VMQPGCABKPHRAZ-UHFFFAOYSA-N 0 1 221.256 1.685 20 10 BDCDMN CC(C)(C)ONC(=O)c1c(F)ccc(O)c1O ZINC001338903010 978750448 /nfs/dbraw/zinc/75/04/48/978750448.db2.gz DGUDHTNEKYDKLM-UHFFFAOYSA-N 0 1 243.234 1.697 20 10 BDCDMN OC[C@@H]1C[C@@H](F)CN1Cc1ccc(O)cc1O ZINC001204272971 978897680 /nfs/dbraw/zinc/89/76/80/978897680.db2.gz VSDIQOPIECVFSG-ZJUUUORDSA-N 0 1 241.262 1.003 20 10 BDCDMN [NH3+]C[C@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001236246947 979468838 /nfs/dbraw/zinc/46/88/38/979468838.db2.gz MQPUSDVCNIIORD-SECBINFHSA-N 0 1 242.269 1.594 20 10 BDCDMN C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@H](C)[NH2+]1 ZINC001236575135 979642618 /nfs/dbraw/zinc/64/26/18/979642618.db2.gz DWEMQPVOVPMZLT-AOOOYVTPSA-N 0 1 238.306 1.714 20 10 BDCDMN Cc1ccc(C[N@@H+](C)CCCC(=O)[O-])c(O)c1 ZINC001605273295 979848643 /nfs/dbraw/zinc/84/86/43/979848643.db2.gz YLGVIBDOQFSLLE-UHFFFAOYSA-N 0 1 237.299 1.997 20 10 BDCDMN C[C@H]1CN(Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875823 982556598 /nfs/dbraw/zinc/55/65/98/982556598.db2.gz WKJBFTLGZWXLLB-ONGXEEELSA-N 0 1 237.299 1.301 20 10 BDCDMN CCn1cnc(CNCc2ccc(N)cc2)c1 ZINC001578357378 984998810 /nfs/dbraw/zinc/99/88/10/984998810.db2.gz UKKXXBYEODPLAL-UHFFFAOYSA-N 0 1 230.315 1.775 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2ccc(N)cc2)[C@@H](C(=O)[O-])C1 ZINC001604754416 990288672 /nfs/dbraw/zinc/28/86/72/990288672.db2.gz VZBPKHHLDCEGMG-ZWNOBZJWSA-N 0 1 248.326 1.954 20 10 BDCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129876 990887239 /nfs/dbraw/zinc/88/72/39/990887239.db2.gz XUDRZAZWQCBERQ-SNVBAGLBSA-N 0 1 237.274 1.942 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CC2(COC2)C1 ZINC001139684630 991313307 /nfs/dbraw/zinc/31/33/07/991313307.db2.gz JXNMLPGLDZDVPP-UHFFFAOYSA-N 0 1 241.237 1.503 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](C)CO)cc1C ZINC000289473938 178195701 /nfs/dbraw/zinc/19/57/01/178195701.db2.gz PUNBPTHWLOEYEX-NSHDSACASA-N 0 1 223.316 1.822 20 10 BDCDMN Cc1cccc(CN(C)[C@H]2CCN(C)C2=O)c1O ZINC000271797279 179071424 /nfs/dbraw/zinc/07/14/24/179071424.db2.gz KFONHAUTTFENHS-LBPRGKRZSA-N 0 1 248.326 1.363 20 10 BDCDMN Cc1ccc([C@H](C)NCc2nncn2C)c(O)c1 ZINC000038007642 384053753 /nfs/dbraw/zinc/05/37/53/384053753.db2.gz GZDRMVLIADARNF-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020195363 384593572 /nfs/dbraw/zinc/59/35/72/384593572.db2.gz YGMAKENSWRMOLK-SNVBAGLBSA-N 0 1 229.707 1.906 20 10 BDCDMN COC[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000179577480 385476344 /nfs/dbraw/zinc/47/63/44/385476344.db2.gz NAZONRWAQRCMCL-GFCCVEGCSA-N 0 1 237.299 1.239 20 10 BDCDMN CN(CC(=O)NCC1CC1)Cc1ccccc1O ZINC000171926891 385533721 /nfs/dbraw/zinc/53/37/21/385533721.db2.gz FHULLSHNUKKJJW-UHFFFAOYSA-N 0 1 248.326 1.350 20 10 BDCDMN CC[N@@H+](CC(=O)NCc1ccccc1O)C1CC1 ZINC000269713319 385629818 /nfs/dbraw/zinc/62/98/18/385629818.db2.gz VKXKKQVMYQLMAB-UHFFFAOYSA-N 0 1 248.326 1.493 20 10 BDCDMN CCN(CC(=O)NCc1ccccc1O)C1CC1 ZINC000269713319 385629826 /nfs/dbraw/zinc/62/98/26/385629826.db2.gz VKXKKQVMYQLMAB-UHFFFAOYSA-N 0 1 248.326 1.493 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000271408762 385826155 /nfs/dbraw/zinc/82/61/55/385826155.db2.gz WZSGUNHIKIWNIY-SMDDNHRTSA-N 0 1 235.327 1.903 20 10 BDCDMN CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1O ZINC000272038305 385869316 /nfs/dbraw/zinc/86/93/16/385869316.db2.gz ZRIADYVQSWNTBG-AAEUAGOBSA-N 0 1 235.327 1.903 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000289425803 386301037 /nfs/dbraw/zinc/30/10/37/386301037.db2.gz JWWOGVSQNYIASP-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000090739539 410009413 /nfs/dbraw/zinc/00/94/13/410009413.db2.gz DGFFMEFEACGOCV-ZETCQYMHSA-N 0 1 215.680 1.516 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000083414712 171236461 /nfs/dbraw/zinc/23/64/61/171236461.db2.gz CULVRXMFQQFEOZ-SNVBAGLBSA-N 0 1 223.272 1.687 20 10 BDCDMN CC[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551244 171450932 /nfs/dbraw/zinc/45/09/32/171450932.db2.gz YXIPEHFLIILDIW-MRVPVSSYSA-N 0 1 229.707 1.906 20 10 BDCDMN C[C@@H]1CO[C@@H](C)CN1Cc1ccc(N)cc1 ZINC000035782509 177263925 /nfs/dbraw/zinc/26/39/25/177263925.db2.gz VEUCBBYBKGZDDZ-MNOVXSKESA-N 0 1 220.316 1.878 20 10 BDCDMN C[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551128 491126475 /nfs/dbraw/zinc/12/64/75/491126475.db2.gz ONWIJCDMVUKNTL-ZETCQYMHSA-N 0 1 215.680 1.516 20 10 BDCDMN COc1ccc(O)c(CNCc2ocnc2C)c1 ZINC000894259798 583398410 /nfs/dbraw/zinc/39/84/10/583398410.db2.gz JNQJRERBRKCQNO-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN CC1(CO)CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894979855 583563306 /nfs/dbraw/zinc/56/33/06/583563306.db2.gz COSAODZDTSBCAB-UHFFFAOYSA-N 0 1 243.253 1.485 20 10 BDCDMN C[C@@H](CCO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000895149180 583605536 /nfs/dbraw/zinc/60/55/36/583605536.db2.gz CTCLTFOBHHPOCP-QMMMGPOBSA-N 0 1 245.269 1.873 20 10 BDCDMN [O-]c1c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc(F)c1F ZINC000895645661 583700668 /nfs/dbraw/zinc/70/06/68/583700668.db2.gz RZBGOFYUHCLHNF-PRHODGIISA-N 0 1 241.237 1.237 20 10 BDCDMN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000896961871 583864804 /nfs/dbraw/zinc/86/48/04/583864804.db2.gz GMBBMIWOSQGKDZ-LBPRGKRZSA-N 0 1 249.310 1.777 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1O ZINC000897675627 584035530 /nfs/dbraw/zinc/03/55/30/584035530.db2.gz AXLIZIICRFTAPO-HQJQHLMTSA-N 0 1 243.253 1.483 20 10 BDCDMN Cc1cccc(O)c1CNCc1cn(C)cn1 ZINC000898043162 584080505 /nfs/dbraw/zinc/08/05/05/584080505.db2.gz GRUHJJWEQOFILF-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN Cc1ccc(O)c(CN2CC[C@@H](O)[C@H](F)C2)c1 ZINC000898194251 584096045 /nfs/dbraw/zinc/09/60/45/584096045.db2.gz WSJKCZPCVUTXHF-DGCLKSJQSA-N 0 1 239.290 1.605 20 10 BDCDMN C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](C)[NH3+] ZINC000841076374 584742770 /nfs/dbraw/zinc/74/27/70/584742770.db2.gz GPROOTBQXCIIBI-JGVFFNPUSA-N 0 1 212.268 1.357 20 10 BDCDMN CC1(CO)CN(Cc2cc(F)ccc2O)C1 ZINC000839145679 585092271 /nfs/dbraw/zinc/09/22/71/585092271.db2.gz QBVLUXJTUUZHJS-UHFFFAOYSA-N 0 1 225.263 1.346 20 10 BDCDMN COc1cccc(O)c1C[N@H+]1CCC[C@H](O)C1 ZINC000768141390 585532823 /nfs/dbraw/zinc/53/28/23/585532823.db2.gz ZSUNBYHWTVMPIE-JTQLQIEISA-N 0 1 237.299 1.358 20 10 BDCDMN COc1ccc(O)c(CN(C)Cc2cn[nH]c2)c1 ZINC000775700265 585683527 /nfs/dbraw/zinc/68/35/27/585683527.db2.gz LYPIZXKVYHKXHC-UHFFFAOYSA-N 0 1 247.298 1.756 20 10 BDCDMN C[C@H](NC(=O)CN(C)C)c1ccc(N(C)C)cc1 ZINC000776270080 585694270 /nfs/dbraw/zinc/69/42/70/585694270.db2.gz PIWHOGOYCLIERJ-NSHDSACASA-N 0 1 249.358 1.491 20 10 BDCDMN OCC[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000779201248 585746968 /nfs/dbraw/zinc/74/69/68/585746968.db2.gz CELWONZJMZWFHU-GFCCVEGCSA-N 0 1 221.300 1.739 20 10 BDCDMN Cc1cc(O)c(CNCc2cn(C)nn2)cc1C ZINC000782969328 585826712 /nfs/dbraw/zinc/82/67/12/585826712.db2.gz NVYTZUYJPICWRU-UHFFFAOYSA-N 0 1 246.314 1.427 20 10 BDCDMN C[C@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1O ZINC000819896067 587001588 /nfs/dbraw/zinc/00/15/88/587001588.db2.gz RSKPGGBEDKJAIY-SSDOTTSWSA-N 0 1 227.235 1.436 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1O ZINC000819896067 587001591 /nfs/dbraw/zinc/00/15/91/587001591.db2.gz RSKPGGBEDKJAIY-SSDOTTSWSA-N 0 1 227.235 1.436 20 10 BDCDMN CN(C)c1ccc(C[N@@H+](C)CC(=O)[O-])cc1F ZINC000820568769 587055507 /nfs/dbraw/zinc/05/55/07/587055507.db2.gz CBWRMCIPSYVGTJ-UHFFFAOYSA-N 0 1 240.278 1.408 20 10 BDCDMN C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccccc1O ZINC000827936827 587410847 /nfs/dbraw/zinc/41/08/47/587410847.db2.gz DARVTNUONIKZOJ-PWSUYJOCSA-N 0 1 248.326 1.664 20 10 BDCDMN C[C@H](NC(=O)C1(N(C)C)CC1)c1ccccc1O ZINC000827959772 587413348 /nfs/dbraw/zinc/41/33/48/587413348.db2.gz FPTBXJUEEIIBIZ-JTQLQIEISA-N 0 1 248.326 1.664 20 10 BDCDMN Cc1cc(N(C)C)ccc1CNC1(C(N)=O)CC1 ZINC000840939695 587930499 /nfs/dbraw/zinc/93/04/99/587930499.db2.gz OLQSYEYZLCWGET-UHFFFAOYSA-N 0 1 247.342 1.169 20 10 BDCDMN [NH3+][C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843043699 588075233 /nfs/dbraw/zinc/07/52/33/588075233.db2.gz DCFGRELQECGGIA-SNVBAGLBSA-N 0 1 224.279 1.454 20 10 BDCDMN [NH3+]C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000843047756 588075838 /nfs/dbraw/zinc/07/58/38/588075838.db2.gz ZVEAUJRRPGFPKS-UHFFFAOYSA-N 0 1 240.734 1.969 20 10 BDCDMN C[C@@H](O)CC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876745496 590236139 /nfs/dbraw/zinc/23/61/39/590236139.db2.gz JKEIPVKFIPZQSF-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN CN(C)c1ccc(CNC2(C)COC2)cc1 ZINC000877691773 590388528 /nfs/dbraw/zinc/38/85/28/590388528.db2.gz WCOJYAPQAQURDM-UHFFFAOYSA-N 0 1 220.316 1.631 20 10 BDCDMN CNCc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272520 591177598 /nfs/dbraw/zinc/17/75/98/591177598.db2.gz YOHUMAARRSYMBS-UHFFFAOYSA-N 0 1 245.330 1.112 20 10 BDCDMN CC[N@@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000133204685 591778426 /nfs/dbraw/zinc/77/84/26/591778426.db2.gz DXVANBXXKNILLF-UHFFFAOYSA-N 0 1 236.315 1.302 20 10 BDCDMN COc1cc(C)cc(C[N@@H+](C)CC(=O)[O-])c1O ZINC000039193020 600423429 /nfs/dbraw/zinc/42/34/29/600423429.db2.gz IFBJUVYBXRKFRE-UHFFFAOYSA-N 0 1 239.271 1.226 20 10 BDCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2O)C1 ZINC000086779474 604788411 /nfs/dbraw/zinc/78/84/11/604788411.db2.gz VLLYLIIKPBRYSC-CYBMUJFWSA-N 0 1 235.283 1.689 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000309828577 633789102 /nfs/dbraw/zinc/78/91/02/633789102.db2.gz XWPSNDGTKIIDCI-SECBINFHSA-N 0 1 224.279 1.325 20 10 BDCDMN CC1(C)C[NH2+]C[C@@H]1NCc1cccc(F)c1[O-] ZINC000904461863 637407279 /nfs/dbraw/zinc/40/72/79/637407279.db2.gz KTRXUMMPKREXMU-NSHDSACASA-N 0 1 238.306 1.619 20 10 BDCDMN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cocn2)c1 ZINC000730819421 641752912 /nfs/dbraw/zinc/75/29/12/641752912.db2.gz XBODCOUPDZSGQB-UHFFFAOYSA-N 0 1 249.226 1.578 20 10 BDCDMN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)N1 ZINC000153355600 641764987 /nfs/dbraw/zinc/76/49/87/641764987.db2.gz YVNZGEKEOVWSKM-QWRGUYRKSA-N 0 1 247.342 1.020 20 10 BDCDMN NC(=O)C1([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000191482672 641922461 /nfs/dbraw/zinc/92/24/61/641922461.db2.gz FLXWHVQDWBGCIY-UHFFFAOYSA-N 0 1 240.690 1.153 20 10 BDCDMN COc1cccc(CNCc2ncc[nH]2)c1O ZINC000080581148 644276779 /nfs/dbraw/zinc/27/67/79/644276779.db2.gz CCWVVGHPADNHGG-UHFFFAOYSA-N 0 1 233.271 1.414 20 10 BDCDMN C[C@H](N[C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925870855 646522790 /nfs/dbraw/zinc/52/27/90/646522790.db2.gz XQXMNSXBMVJELC-JQWIXIFHSA-N 0 1 235.331 1.307 20 10 BDCDMN Cn1ccc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000386205795 711025399 /nfs/dbraw/zinc/02/53/99/711025399.db2.gz MAQMUVNSAVDRFD-LBPRGKRZSA-N 0 1 243.310 1.903 20 10 BDCDMN CCOc1cccc(CNCc2cn[nH]n2)c1O ZINC000398284174 711406388 /nfs/dbraw/zinc/40/63/88/711406388.db2.gz BKEYKSZCXDDERF-UHFFFAOYSA-N 0 1 248.286 1.199 20 10 BDCDMN O=C([O-])[C@@H]1[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000721252967 711795713 /nfs/dbraw/zinc/79/57/13/711795713.db2.gz BYZIBSCKMWRTSV-NTZNESFSSA-N 0 1 247.294 1.545 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877320226 712630671 /nfs/dbraw/zinc/63/06/71/712630671.db2.gz CHABGQLNJSPMJX-SSDOTTSWSA-N 0 1 231.242 1.483 20 10 BDCDMN Cc1ccc(CN2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140948094 960745392 /nfs/dbraw/zinc/74/53/92/960745392.db2.gz SJJDTYOUZLWKSE-CMPLNLGQSA-N 0 1 225.263 1.215 20 10 BDCDMN C[N@@H+](Cc1c([O-])ccc(F)c1F)[C@H]1CCOC1 ZINC001233334783 978569440 /nfs/dbraw/zinc/56/94/40/978569440.db2.gz SXCRNYFZNMGJNV-QMMMGPOBSA-N 0 1 243.253 1.891 20 10 BDCDMN C[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236255530 979475621 /nfs/dbraw/zinc/47/56/21/979475621.db2.gz GUSMUZJHEBVNPV-UHFFFAOYSA-N 0 1 249.232 1.835 20 10 BDCDMN C[N@@H+](CCO)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236255530 979475627 /nfs/dbraw/zinc/47/56/27/979475627.db2.gz GUSMUZJHEBVNPV-UHFFFAOYSA-N 0 1 249.232 1.835 20 10 BDCDMN CCn1cc(CNCc2cccc(C)c2O)nn1 ZINC000404517851 971169462 /nfs/dbraw/zinc/16/94/62/971169462.db2.gz XUHJKYOOLBRYBA-UHFFFAOYSA-N 0 1 246.314 1.602 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1O ZINC001140582993 959002330 /nfs/dbraw/zinc/00/23/30/959002330.db2.gz SJDDHZCUKIPJNP-MADCSZMMSA-N 0 1 243.253 1.483 20 10 BDCDMN Cc1ccc(O)c(CN2C[C@H]3C[C@@H](C2)O3)c1 ZINC001140622980 959217197 /nfs/dbraw/zinc/21/71/97/959217197.db2.gz KCRZWCQECQIMED-TXEJJXNPSA-N 0 1 219.284 1.674 20 10 BDCDMN CO[C@H]1CN(Cc2cc(C)ccc2O)C[C@@H]1F ZINC001140617051 960458528 /nfs/dbraw/zinc/45/85/28/960458528.db2.gz BAQUVRDCYLKWDR-AAEUAGOBSA-N 0 1 239.290 1.869 20 10 BDCDMN Cc1c(O)ccc(CN2CC(C)(CO)C2)c1O ZINC001140742764 960545960 /nfs/dbraw/zinc/54/59/60/960545960.db2.gz YFECQXZMCXPEFJ-UHFFFAOYSA-N 0 1 237.299 1.220 20 10 BDCDMN Cc1c(O)ccc(CN(C)CCF)c1O ZINC001140751322 960548690 /nfs/dbraw/zinc/54/86/90/960548690.db2.gz SAHOOEBEXUIQSM-UHFFFAOYSA-N 0 1 213.252 1.808 20 10 BDCDMN Cc1ccc(CN2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001140950728 960763270 /nfs/dbraw/zinc/76/32/70/960763270.db2.gz FVDCVJVVGZYUFG-RYUDHWBXSA-N 0 1 219.284 1.674 20 10 BDCDMN C[C@@H]1CN(Cc2cc(O)ccc2O)C[C@@H]1F ZINC001141156878 960897171 /nfs/dbraw/zinc/89/71/71/960897171.db2.gz WDFBMCPWGKUYKR-KCJUWKMLSA-N 0 1 225.263 1.888 20 10 BDCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236296580 966355322 /nfs/dbraw/zinc/35/53/22/966355322.db2.gz SVNWJBUYGOSRHK-LDYMZIIASA-N 0 1 240.253 1.074 20 10 BDCDMN O=C1CCN(Cc2ccccc2O)CC[C@H]1F ZINC001203550231 966670616 /nfs/dbraw/zinc/67/06/16/966670616.db2.gz NGVWDMFLUGYASB-LLVKDONJSA-N 0 1 237.274 1.895 20 10 BDCDMN Oc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1O ZINC001203875162 966805074 /nfs/dbraw/zinc/80/50/74/966805074.db2.gz JHFLOMRJHHJNOR-ZWNOBZJWSA-N 0 1 235.283 1.461 20 10 BDCDMN CO[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874628 966805484 /nfs/dbraw/zinc/80/54/84/966805484.db2.gz AUFWZXIOKNWFRP-SNVBAGLBSA-N 0 1 223.272 1.319 20 10 BDCDMN COc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(O)c1O ZINC001204347088 966976987 /nfs/dbraw/zinc/97/69/87/966976987.db2.gz MEBYVCSUSIBGLW-AOOOYVTPSA-N 0 1 235.283 1.558 20 10 BDCDMN C[C@H]1COCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831869 967822932 /nfs/dbraw/zinc/82/29/32/967822932.db2.gz QNUXJJRDJUIUOD-SNVBAGLBSA-N 0 1 239.290 2.000 20 10 BDCDMN O=C(c1ccn[nH]1)N1CCc2cccc(O)c2C1 ZINC001146835528 973296767 /nfs/dbraw/zinc/29/67/67/973296767.db2.gz ZZDBHYKINRNTMZ-UHFFFAOYSA-N 0 1 243.266 1.314 20 10 BDCDMN Nc1ccc(N(CCO)c2ccncc2)cc1 ZINC001173882421 975932874 /nfs/dbraw/zinc/93/28/74/975932874.db2.gz JLMYDSKDODEIBV-UHFFFAOYSA-N 0 1 229.283 1.794 20 10 BDCDMN O=C([O-])c1ccc(C[N@@H+]2CCC23COC3)c(O)c1 ZINC001231452367 977593238 /nfs/dbraw/zinc/59/32/38/977593238.db2.gz NHDMDLVATRBMGK-UHFFFAOYSA-N 0 1 249.266 1.065 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2CCC23COC3)c(O)c1 ZINC001231452367 977593248 /nfs/dbraw/zinc/59/32/48/977593248.db2.gz NHDMDLVATRBMGK-UHFFFAOYSA-N 0 1 249.266 1.065 20 10 BDCDMN CC(=O)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231561346 977638497 /nfs/dbraw/zinc/63/84/97/977638497.db2.gz SOVODBQJIFVQIA-UHFFFAOYSA-N 0 1 237.255 1.111 20 10 BDCDMN CC(=O)C[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231561346 977638510 /nfs/dbraw/zinc/63/85/10/977638510.db2.gz SOVODBQJIFVQIA-UHFFFAOYSA-N 0 1 237.255 1.111 20 10 BDCDMN Cc1cc(C)c(CN2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001231846776 977763425 /nfs/dbraw/zinc/76/34/25/977763425.db2.gz OWHQYDSJJZQBME-RYUDHWBXSA-N 0 1 233.311 1.982 20 10 BDCDMN O=C1CCN(Cc2cccc(Cl)c2O)C1 ZINC001231912086 977799883 /nfs/dbraw/zinc/79/98/83/977799883.db2.gz VPVQOGLYBWZECX-UHFFFAOYSA-N 0 1 225.675 1.820 20 10 BDCDMN C[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009998 978404429 /nfs/dbraw/zinc/40/44/29/978404429.db2.gz GMNWZCUCUBEHPX-MRVPVSSYSA-N 0 1 223.272 1.645 20 10 BDCDMN COC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204276996 978928347 /nfs/dbraw/zinc/92/83/47/978928347.db2.gz VEZNCNICXRODHX-SNVBAGLBSA-N 0 1 237.299 1.566 20 10 BDCDMN OCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236100059 979389299 /nfs/dbraw/zinc/38/92/99/979389299.db2.gz CCTBGABMXKEGOW-UHFFFAOYSA-N 0 1 237.299 1.228 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001236172282 979429186 /nfs/dbraw/zinc/42/91/86/979429186.db2.gz BXDFSVOPAGVIEV-MRVPVSSYSA-N 0 1 244.697 1.718 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1c(C)cccc1O ZINC001596224886 983615717 /nfs/dbraw/zinc/61/57/17/983615717.db2.gz HZKALMZJRRNBIJ-UHFFFAOYSA-N 0 1 223.272 1.607 20 10 BDCDMN Cc1c(O)ccc(CN2CC3(CCN3C)C2)c1O ZINC001276113426 984816364 /nfs/dbraw/zinc/81/63/64/984816364.db2.gz QICRSNLODMKTBE-UHFFFAOYSA-N 0 1 248.326 1.296 20 10 BDCDMN Oc1ccc(F)cc1CN1CC[C@@]12CCOC2 ZINC001118055197 987991766 /nfs/dbraw/zinc/99/17/66/987991766.db2.gz IOUBWKNEIBSWFU-ZDUSSCGKSA-N 0 1 237.274 1.896 20 10 BDCDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001119743375 989380935 /nfs/dbraw/zinc/38/09/35/989380935.db2.gz JCNLCOZVSQFAFI-SNVBAGLBSA-N 0 1 237.303 1.680 20 10 BDCDMN Nc1ccc(CN2CC[C@](F)(CO)C2)cc1 ZINC001120370956 989637976 /nfs/dbraw/zinc/63/79/76/989637976.db2.gz KZGFZNGIBQTFBG-GFCCVEGCSA-N 0 1 224.279 1.175 20 10 BDCDMN C[NH+](C)[C@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137831848 990857224 /nfs/dbraw/zinc/85/72/24/990857224.db2.gz PRLLOFGOYOBVQP-JTQLQIEISA-N 0 1 238.306 1.667 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001138130972 990886258 /nfs/dbraw/zinc/88/62/58/990886258.db2.gz MNOHOIUUXZOBMF-ZDUSSCGKSA-N 0 1 237.274 1.896 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@]12CCOC2 ZINC001138130970 990887389 /nfs/dbraw/zinc/88/73/89/990887389.db2.gz MNOHOIUUXZOBMF-CYBMUJFWSA-N 0 1 237.274 1.896 20 10 BDCDMN CO[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139683649 991314215 /nfs/dbraw/zinc/31/42/15/991314215.db2.gz PPMJYTYOSPLDBQ-MRVPVSSYSA-N 0 1 243.253 1.891 20 10 BDCDMN CN(Cc1ccncn1)Cc1ccccc1O ZINC001140349507 991622629 /nfs/dbraw/zinc/62/26/29/991622629.db2.gz KUPCLIYYJJVGES-UHFFFAOYSA-N 0 1 229.283 1.814 20 10 BDCDMN C[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1O ZINC001302530670 995119711 /nfs/dbraw/zinc/11/97/11/995119711.db2.gz VPWVZBSCQITUMR-SSDOTTSWSA-N 0 1 232.243 1.001 20 10 BDCDMN C[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1O ZINC001302530670 995119717 /nfs/dbraw/zinc/11/97/17/995119717.db2.gz VPWVZBSCQITUMR-SSDOTTSWSA-N 0 1 232.243 1.001 20 10 BDCDMN Cc1cccc(CN2CCO[C@@H](C)C2)c1O ZINC000162807681 179080078 /nfs/dbraw/zinc/08/00/78/179080078.db2.gz XAMAMVMHGJJHTN-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN COc1ccc(CNCC(=O)NC2CC2)cc1C ZINC000035257367 187421432 /nfs/dbraw/zinc/42/14/32/187421432.db2.gz BEDMBMONNIPUNA-UHFFFAOYSA-N 0 1 248.326 1.372 20 10 BDCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000132489545 188144952 /nfs/dbraw/zinc/14/49/52/188144952.db2.gz NRNVTRCCILYACX-SECBINFHSA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]CCCCO ZINC000236499032 183050699 /nfs/dbraw/zinc/05/06/99/183050699.db2.gz NGSOSTYFRAVDNC-UHFFFAOYSA-N 0 1 229.707 1.908 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCO ZINC000020188123 183059018 /nfs/dbraw/zinc/05/90/18/183059018.db2.gz AIVBSSXSYJBVAC-UHFFFAOYSA-N 0 1 215.680 1.518 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+](CCO)C1CCC1 ZINC000275913048 183069425 /nfs/dbraw/zinc/06/94/25/183069425.db2.gz FRGNWVVJHHTYNN-UHFFFAOYSA-N 0 1 239.290 1.878 20 10 BDCDMN [O-]c1ccccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000378502383 183115980 /nfs/dbraw/zinc/11/59/80/183115980.db2.gz YMCFTSZJVCZBGC-GFCCVEGCSA-N 0 1 235.327 1.987 20 10 BDCDMN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000378502383 183115984 /nfs/dbraw/zinc/11/59/84/183115984.db2.gz YMCFTSZJVCZBGC-GFCCVEGCSA-N 0 1 235.327 1.987 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368801167 183254800 /nfs/dbraw/zinc/25/48/00/183254800.db2.gz WNQVLHTWHZTBGD-NSHDSACASA-N 0 1 237.274 1.488 20 10 BDCDMN Cn1cncc1CNCc1ccc2c(c1)CCO2 ZINC000263858256 384501321 /nfs/dbraw/zinc/50/13/21/384501321.db2.gz TXOMAZPNOGGOFS-UHFFFAOYSA-N 0 1 243.310 1.645 20 10 BDCDMN CC(C)[C@H]1C(=O)NCCN1Cc1ccccc1O ZINC000179569834 385473662 /nfs/dbraw/zinc/47/36/62/385473662.db2.gz LVEWURSJBJWBFU-ZDUSSCGKSA-N 0 1 248.326 1.349 20 10 BDCDMN CCC[C@H]1C(=O)NCCN1Cc1ccccc1O ZINC000179582473 385475414 /nfs/dbraw/zinc/47/54/14/385475414.db2.gz KRJZDHBXPKSMSC-LBPRGKRZSA-N 0 1 248.326 1.493 20 10 BDCDMN CC[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1O ZINC000272236617 385885960 /nfs/dbraw/zinc/88/59/60/385885960.db2.gz ACBQUIQOPLKFSW-BXKDBHETSA-N 0 1 239.290 1.734 20 10 BDCDMN C[N@@H+](CCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294615308 385874040 /nfs/dbraw/zinc/87/40/40/385874040.db2.gz IWDXGNJWGMKXCB-UHFFFAOYSA-N 0 1 247.697 1.999 20 10 BDCDMN C[C@@H](CCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000096811524 385986516 /nfs/dbraw/zinc/98/65/16/385986516.db2.gz XVGYUIATYKSJEB-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN CN(C)c1ccc(CNCc2cnnn2C)cc1 ZINC000135847945 387824488 /nfs/dbraw/zinc/82/44/88/387824488.db2.gz WFJSHVBYUWAUCI-UHFFFAOYSA-N 0 1 245.330 1.171 20 10 BDCDMN CN(Cc1ccccc1O)[C@H]1CCN(C)C1=O ZINC000116279490 173148310 /nfs/dbraw/zinc/14/83/10/173148310.db2.gz MMVAICGUUJDYGE-NSHDSACASA-N 0 1 234.299 1.055 20 10 BDCDMN C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272563948 177009725 /nfs/dbraw/zinc/00/97/25/177009725.db2.gz UPMMXWOCEMFTKH-VHSXEESVSA-N 0 1 239.290 1.734 20 10 BDCDMN CC[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000083551242 491126450 /nfs/dbraw/zinc/12/64/50/491126450.db2.gz YXIPEHFLIILDIW-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN C[N@@H+](CCCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894538193 583479326 /nfs/dbraw/zinc/47/93/26/583479326.db2.gz IYARBXBDYXRBNV-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894539844 583480646 /nfs/dbraw/zinc/48/06/46/583480646.db2.gz XKDLVCKCFOPKHH-XVKPBYJWSA-N 0 1 243.253 1.626 20 10 BDCDMN Cc1nnc([C@@H](C)NCc2c(C)cccc2O)[nH]1 ZINC000894778862 583519820 /nfs/dbraw/zinc/51/98/20/583519820.db2.gz TUXGVSCNGXXTAV-SECBINFHSA-N 0 1 246.314 1.978 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895646591 583699062 /nfs/dbraw/zinc/69/90/62/583699062.db2.gz HKSLTJQFLDIBDL-BXKDBHETSA-N 0 1 239.702 1.612 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895646591 583699063 /nfs/dbraw/zinc/69/90/63/583699063.db2.gz HKSLTJQFLDIBDL-BXKDBHETSA-N 0 1 239.702 1.612 20 10 BDCDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000896961870 583865200 /nfs/dbraw/zinc/86/52/00/583865200.db2.gz GMBBMIWOSQGKDZ-GFCCVEGCSA-N 0 1 249.310 1.777 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)Cc1ccn[nH]1 ZINC000121314791 583915666 /nfs/dbraw/zinc/91/56/66/583915666.db2.gz CNQLKCKCUMKQCW-UHFFFAOYSA-N 0 1 245.282 1.316 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1C ZINC000897683426 584040444 /nfs/dbraw/zinc/04/04/44/584040444.db2.gz DDSRVAHVOJHRFF-FZMZJTMJSA-N 0 1 235.327 1.822 20 10 BDCDMN COc1nn(C)cc1CNCc1ccccc1O ZINC000898028190 584076507 /nfs/dbraw/zinc/07/65/07/584076507.db2.gz IKDZJWKXLUAJNW-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN C[N@@H+](Cc1cccc(F)c1[O-])C1CC(O)C1 ZINC000761221947 585412319 /nfs/dbraw/zinc/41/23/19/585412319.db2.gz GXNPTYGRSZNPNJ-UHFFFAOYSA-N 0 1 225.263 1.486 20 10 BDCDMN CC1(C)CN(Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000779003810 585743804 /nfs/dbraw/zinc/74/38/04/585743804.db2.gz QFGDXSMHVVQGSP-UHFFFAOYSA-N 0 1 238.306 1.715 20 10 BDCDMN OCC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779201200 585746927 /nfs/dbraw/zinc/74/69/27/585746927.db2.gz BQTYFDZAXVHLGZ-GFCCVEGCSA-N 0 1 239.290 1.878 20 10 BDCDMN C[NH+](C)CCCOC(=O)c1cc([O-])cs1 ZINC000791887355 585990252 /nfs/dbraw/zinc/99/02/52/585990252.db2.gz YXVQTCYNDXDSGY-UHFFFAOYSA-N 0 1 229.301 1.562 20 10 BDCDMN C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945072 586846570 /nfs/dbraw/zinc/84/65/70/586846570.db2.gz SPMLADFWIXWHQA-WCBMZHEXSA-N 0 1 224.279 1.544 20 10 BDCDMN C[C@H](C(=O)N(C)Cc1ccccc1O)N(C)C ZINC000820879404 587079883 /nfs/dbraw/zinc/07/98/83/587079883.db2.gz SBIAMATWGOAYSD-SNVBAGLBSA-N 0 1 236.315 1.301 20 10 BDCDMN C[C@@H](NC(=O)CN1CCCC1)c1ccccc1O ZINC000827941433 587412179 /nfs/dbraw/zinc/41/21/79/587412179.db2.gz RVPDITFUWKDDIW-LLVKDONJSA-N 0 1 248.326 1.665 20 10 BDCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840910701 587929290 /nfs/dbraw/zinc/92/92/90/587929290.db2.gz QDEGNNSHGQKUJO-VIFPVBQESA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840910701 587929292 /nfs/dbraw/zinc/92/92/92/587929292.db2.gz QDEGNNSHGQKUJO-VIFPVBQESA-N 0 1 241.718 1.921 20 10 BDCDMN C[C@@H]1C[NH+]=C(NCc2cc(Cl)ccc2[O-])N1 ZINC000849050320 588451775 /nfs/dbraw/zinc/45/17/75/588451775.db2.gz ZJKXSLSGLIFXDW-SSDOTTSWSA-N 0 1 239.706 1.483 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CC1(CO)CC1 ZINC000118907015 589204544 /nfs/dbraw/zinc/20/45/44/589204544.db2.gz ICYYZLJCDGVNSY-UHFFFAOYSA-N 0 1 241.718 1.908 20 10 BDCDMN CCN(CC(=O)NC)Cc1cccc(C)c1O ZINC000124533294 590047598 /nfs/dbraw/zinc/04/75/98/590047598.db2.gz IIJWKWIDTWHOAT-UHFFFAOYSA-N 0 1 236.315 1.269 20 10 BDCDMN CC(=O)N1CCN(Cc2c(C)cccc2O)CC1 ZINC000876525220 590208248 /nfs/dbraw/zinc/20/82/48/590208248.db2.gz GFBQDFNVGHNFOC-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN Cc1cccc(O)c1CN(C)CC(=O)NC1CC1 ZINC000876549602 590214340 /nfs/dbraw/zinc/21/43/40/590214340.db2.gz SEZHYMVVKIKPPF-UHFFFAOYSA-N 0 1 248.326 1.411 20 10 BDCDMN Cc1ccc(CN2CCOC[C@@H]2C)c(O)c1 ZINC000876610852 590221613 /nfs/dbraw/zinc/22/16/13/590221613.db2.gz KEDJJIOIGAAZNH-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1cccc(O)c1CN1CCCNC(=O)C1 ZINC000876640584 590224990 /nfs/dbraw/zinc/22/49/90/590224990.db2.gz YPBWWMWGRCYKKD-UHFFFAOYSA-N 0 1 234.299 1.023 20 10 BDCDMN COC1(C)CN(Cc2c(C)cccc2O)C1 ZINC000877532291 590349109 /nfs/dbraw/zinc/34/91/09/590349109.db2.gz DNQFBIPPIFKDPY-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN CCON(CC)C(=O)c1c(F)ccc(O)c1O ZINC000881450389 591207267 /nfs/dbraw/zinc/20/72/67/591207267.db2.gz FDULYBGXGKLMPC-UHFFFAOYSA-N 0 1 243.234 1.651 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000083406653 598130718 /nfs/dbraw/zinc/13/07/18/598130718.db2.gz BWPCQJHBWTYUQV-SSDOTTSWSA-N 0 1 243.690 1.951 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1O ZINC000229289341 605477062 /nfs/dbraw/zinc/47/70/62/605477062.db2.gz BEXYUDHPSVIVAC-UHFFFAOYSA-N 0 1 213.208 1.048 20 10 BDCDMN C[N@@H+](CCNC(=O)[O-])Cc1ccccc1O ZINC000833872269 605762571 /nfs/dbraw/zinc/76/25/71/605762571.db2.gz JBANWAQNKAPVCX-UHFFFAOYSA-N 0 1 224.260 1.092 20 10 BDCDMN CCN(C)c1ccc([C@H](C)N[C@H]2CNOC2)cc1 ZINC000925871370 635587068 /nfs/dbraw/zinc/58/70/68/635587068.db2.gz USXXFVPXWJNLNP-AAEUAGOBSA-N 0 1 249.358 1.697 20 10 BDCDMN CN(C)c1ccc(CNCc2cncnc2)cc1 ZINC000054767128 640406836 /nfs/dbraw/zinc/40/68/36/640406836.db2.gz QVLBDSXPCBPGIC-UHFFFAOYSA-N 0 1 242.326 1.832 20 10 BDCDMN CCc1nc(CN(C)Cc2ccccc2O)n[nH]1 ZINC000159134630 641668754 /nfs/dbraw/zinc/66/87/54/641668754.db2.gz UWRJILXBJCAHOH-UHFFFAOYSA-N 0 1 246.314 1.705 20 10 BDCDMN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)N1 ZINC000153355491 641765738 /nfs/dbraw/zinc/76/57/38/641765738.db2.gz YVNZGEKEOVWSKM-PHIMTYICSA-N 0 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1.449 20 10 BDCDMN Cc1ccc(C[N@@H+](C)CC(=O)[O-])c(O)c1 ZINC001600409694 978692998 /nfs/dbraw/zinc/69/29/98/978692998.db2.gz LCWYFLAVMAFABB-UHFFFAOYSA-N 0 1 209.245 1.217 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cccc(OC)c1O ZINC000086775058 957986671 /nfs/dbraw/zinc/98/66/71/957986671.db2.gz JBXQKGHMEZYZRM-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN COc1cccc(CN2CC[C@H](F)C2)c1O ZINC000689863346 959534505 /nfs/dbraw/zinc/53/45/05/959534505.db2.gz PNBQRBREEBNTFF-JTQLQIEISA-N 0 1 225.263 1.945 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000227582305 959962745 /nfs/dbraw/zinc/96/27/45/959962745.db2.gz XHSUJZLWULQOQJ-PWSUYJOCSA-N 0 1 249.310 1.996 20 10 BDCDMN N[C@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC001206656606 963123389 /nfs/dbraw/zinc/12/33/89/963123389.db2.gz MLWTYIKFOIFCIX-NSHDSACASA-N 0 1 242.269 1.561 20 10 BDCDMN C[C@H]1C[N@H+](Cc2ccccc2[O-])CCC[C@H]1O ZINC001203550509 966684910 /nfs/dbraw/zinc/68/49/10/966684910.db2.gz WPMMWANXWFXZHM-WCQYABFASA-N 0 1 235.327 1.985 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCC[C@H]1O ZINC001203550509 966684917 /nfs/dbraw/zinc/68/49/17/966684917.db2.gz WPMMWANXWFXZHM-WCQYABFASA-N 0 1 235.327 1.985 20 10 BDCDMN CCN(Cc1cccc(OC)c1O)C1COC1 ZINC001203597132 966702355 /nfs/dbraw/zinc/70/23/55/966702355.db2.gz WFIMYMWPNMPCST-UHFFFAOYSA-N 0 1 237.299 1.622 20 10 BDCDMN C[C@@H]1CCN(Cc2ccc(O)cc2O)CCC1=O ZINC001204276833 966957408 /nfs/dbraw/zinc/95/74/08/966957408.db2.gz SAEGUIZKEFJTTE-SNVBAGLBSA-N 0 1 249.310 1.899 20 10 BDCDMN COc1ccc(N2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC001276925242 973303799 /nfs/dbraw/zinc/30/37/99/973303799.db2.gz YIQXKTAKMJFCLW-KGLIPLIRSA-N 0 1 248.326 1.214 20 10 BDCDMN O=C([O-])CC[NH2+]Cc1cc(F)c(F)cc1O ZINC001606201284 973449797 /nfs/dbraw/zinc/44/97/97/973449797.db2.gz FIEFPXXIZZAFOP-UHFFFAOYSA-N 0 1 231.198 1.235 20 10 BDCDMN Nc1cccc(Nc2ccncc2)c1O ZINC001173885071 975979576 /nfs/dbraw/zinc/97/95/76/975979576.db2.gz HKELNVYQFOAPEZ-UHFFFAOYSA-N 0 1 201.229 1.535 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231560351 977635497 /nfs/dbraw/zinc/63/54/97/977635497.db2.gz HGZUTVBNVUSCDL-VIFPVBQESA-N 0 1 235.283 1.932 20 10 BDCDMN CNC(=O)CN(C)Cc1c(C)cc(C)cc1O ZINC001231841368 977753100 /nfs/dbraw/zinc/75/31/00/977753100.db2.gz APWUNCIXYBOQOS-UHFFFAOYSA-N 0 1 236.315 1.187 20 10 BDCDMN COc1cc(N(C)C)ccc1CN1CCC1 ZINC001231849759 977768830 /nfs/dbraw/zinc/76/88/30/977768830.db2.gz YPMIXXLLJJCDTM-UHFFFAOYSA-N 0 1 220.316 1.967 20 10 BDCDMN CC(=O)CN(C)Cc1ccc(N(C)C)cc1O ZINC001232834057 978307391 /nfs/dbraw/zinc/30/73/91/978307391.db2.gz FRSZXWHJVDMUIH-UHFFFAOYSA-N 0 1 236.315 1.479 20 10 BDCDMN OCC1(F)CN(Cc2ccc(F)c(F)c2O)C1 ZINC001233074649 978458291 /nfs/dbraw/zinc/45/82/91/978458291.db2.gz RHFARKGROTVHFN-UHFFFAOYSA-N 0 1 247.216 1.187 20 10 BDCDMN Cc1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1O ZINC001600531308 978700742 /nfs/dbraw/zinc/70/07/42/978700742.db2.gz MOPYHCMIIOSMTG-JTQLQIEISA-N 0 1 237.299 1.853 20 10 BDCDMN [NH3+][C@H]1C[C@@H](F)CN(Cc2c([O-])cccc2F)C1 ZINC001206414995 978856689 /nfs/dbraw/zinc/85/66/89/978856689.db2.gz SWTWEFLENPIPQN-BDAKNGLRSA-N 0 1 242.269 1.402 20 10 BDCDMN C[C@H]1CN(Cc2ccc(O)cc2O)C[C@H](C)O1 ZINC001204272063 978896368 /nfs/dbraw/zinc/89/63/68/978896368.db2.gz JBPYCJZCPNLTFH-UWVGGRQHSA-N 0 1 237.299 1.707 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001236171342 979425773 /nfs/dbraw/zinc/42/57/73/979425773.db2.gz APIGDYWSLVJWIV-SSDOTTSWSA-N 0 1 228.242 1.203 20 10 BDCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236296575 979504696 /nfs/dbraw/zinc/50/46/96/979504696.db2.gz SVNWJBUYGOSRHK-KCJUWKMLSA-N 0 1 240.253 1.074 20 10 BDCDMN C[C@@H](N)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260748 979602647 /nfs/dbraw/zinc/60/26/47/979602647.db2.gz YRZSNSJWUZYLEF-HTQZYQBOSA-N 0 1 238.287 1.088 20 10 BDCDMN Cn1ccc(-c2nccc3nc[nH]c32)cc1=O ZINC001240969160 982048069 /nfs/dbraw/zinc/04/80/69/982048069.db2.gz LFOHCOZNSJSZSV-UHFFFAOYSA-N 0 1 226.239 1.324 20 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Oc1ccccc1CNc1ncnc2[nH]cnc21 ZINC000114590053 183303267 /nfs/dbraw/zinc/30/32/67/183303267.db2.gz AKOVXPNRITVXAR-UHFFFAOYSA-N 0 1 241.254 1.671 20 10 BDCDMN C[C@@H](O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083608000 384782248 /nfs/dbraw/zinc/78/22/48/384782248.db2.gz BLEZNUCEFHSQSP-MRVPVSSYSA-N 0 1 229.707 1.906 20 10 BDCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCOC1 ZINC000165419445 385122219 /nfs/dbraw/zinc/12/22/19/385122219.db2.gz WTUFZHFDMPAOAH-SNVBAGLBSA-N 0 1 225.263 1.752 20 10 BDCDMN CCN(C)C(=O)CN(C)Cc1ccccc1O ZINC000264716402 386263214 /nfs/dbraw/zinc/26/32/14/386263214.db2.gz NNMDDQNYRQUZQD-UHFFFAOYSA-N 0 1 236.315 1.302 20 10 BDCDMN C[N@@H+](Cc1cccc(F)c1[O-])[C@@H]1CCC[C@H]1O ZINC000289224621 386274163 /nfs/dbraw/zinc/27/41/63/386274163.db2.gz CSDGLUBQIDOJSE-VXGBXAGGSA-N 0 1 239.290 1.877 20 10 BDCDMN CCNC(=O)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000037363100 170087929 /nfs/dbraw/zinc/08/79/29/170087929.db2.gz HXXFCZWSUXMNHM-SNVBAGLBSA-N 0 1 248.326 1.236 20 10 BDCDMN CN1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000299580197 173049768 /nfs/dbraw/zinc/04/97/68/173049768.db2.gz SXNOQNAHWCFXDX-NSHDSACASA-N 0 1 234.299 1.103 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000893985815 583269514 /nfs/dbraw/zinc/26/95/14/583269514.db2.gz HOWZSQBZHDVHRB-MRVPVSSYSA-N 0 1 243.253 1.485 20 10 BDCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC(C)(C)O ZINC000894025380 583280717 /nfs/dbraw/zinc/28/07/17/583280717.db2.gz ARQXYDOQUVDTKH-UHFFFAOYSA-N 0 1 245.269 1.873 20 10 BDCDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877467644 583316390 /nfs/dbraw/zinc/31/63/90/583316390.db2.gz LNBVZBAUVHKQJK-IONNQARKSA-N 0 1 243.253 1.626 20 10 BDCDMN Cc1ncoc1CNCc1ccccc1O ZINC000894214387 583380721 /nfs/dbraw/zinc/38/07/21/583380721.db2.gz XBUCDJNCAAJPMV-UHFFFAOYSA-N 0 1 218.256 1.978 20 10 BDCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC(O)C1 ZINC000894462214 583466587 /nfs/dbraw/zinc/46/65/87/583466587.db2.gz QNNQXASPHBRKSP-UHFFFAOYSA-N 0 1 243.253 1.626 20 10 BDCDMN COC1(C)CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894780661 583520317 /nfs/dbraw/zinc/52/03/17/583520317.db2.gz HORVRWNDVNCORH-UHFFFAOYSA-N 0 1 243.253 1.891 20 10 BDCDMN COCCNCc1cc(F)c(N(C)C)cc1F ZINC000858087010 588931642 /nfs/dbraw/zinc/93/16/42/588931642.db2.gz QZIWIAQYYYGTSW-UHFFFAOYSA-N 0 1 244.285 1.767 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1O ZINC000897678347 584036639 /nfs/dbraw/zinc/03/66/39/584036639.db2.gz AIYUXJWHXZCUPF-XVKPBYJWSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684878 584040685 /nfs/dbraw/zinc/04/06/85/584040685.db2.gz YHTRMTLNWXJSSK-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000897684878 584040686 /nfs/dbraw/zinc/04/06/86/584040686.db2.gz YHTRMTLNWXJSSK-UFBFGSQYSA-N 0 1 241.718 1.858 20 10 BDCDMN Cn1cnc(CNCc2cc(F)ccc2O)c1 ZINC000898044703 584073098 /nfs/dbraw/zinc/07/30/98/584073098.db2.gz ANKGUABEHYBVQM-UHFFFAOYSA-N 0 1 235.262 1.555 20 10 BDCDMN Cc1cccc(CN2CC[C@@H](O)[C@@H](F)C2)c1O ZINC000898187309 584093704 /nfs/dbraw/zinc/09/37/04/584093704.db2.gz JIEZVDVICFGOMV-NWDGAFQWSA-N 0 1 239.290 1.605 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]2CO)cc1C ZINC000902629464 584646154 /nfs/dbraw/zinc/64/61/54/584646154.db2.gz DRGJIBYZUYPCJL-LBPRGKRZSA-N 0 1 221.300 1.576 20 10 BDCDMN C[C@H](N)[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841076982 584761350 /nfs/dbraw/zinc/76/13/50/584761350.db2.gz VSPHSJXLLRAZLE-YUMQZZPRSA-N 0 1 228.723 1.871 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CNOC1 ZINC000904421825 584882633 /nfs/dbraw/zinc/88/26/33/584882633.db2.gz TWRLZGDACZGZJF-SECBINFHSA-N 0 1 228.679 1.039 20 10 BDCDMN CN(CC[N+](=O)[O-])Cc1ccccc1O ZINC000791053176 585973428 /nfs/dbraw/zinc/97/34/28/585973428.db2.gz BJPYLALINBIUTI-UHFFFAOYSA-N 0 1 210.233 1.101 20 10 BDCDMN OC[C@]1(F)CCN(Cc2ccccc2O)C1 ZINC000802660976 586309271 /nfs/dbraw/zinc/30/92/71/586309271.db2.gz BLBKWHHVDABBEJ-LBPRGKRZSA-N 0 1 225.263 1.299 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809742543 586515758 /nfs/dbraw/zinc/51/57/58/586515758.db2.gz CNZDUMXQJULCOH-ZETCQYMHSA-N 0 1 247.697 1.997 20 10 BDCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000816484229 586736091 /nfs/dbraw/zinc/73/60/91/586736091.db2.gz UXMNPYLQZSJAFU-MRVPVSSYSA-N 0 1 245.681 1.751 20 10 BDCDMN C[C@@H]([NH2+]C[C@H](C)N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972904 586859647 /nfs/dbraw/zinc/85/96/47/586859647.db2.gz PJHRPWAXMIJZCF-JGVFFNPUSA-N 0 1 239.275 1.298 20 10 BDCDMN C[C@@H](N)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972903 586859819 /nfs/dbraw/zinc/85/98/19/586859819.db2.gz PJHRPWAXMIJZCF-HTQZYQBOSA-N 0 1 239.275 1.298 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000818849337 586914184 /nfs/dbraw/zinc/91/41/84/586914184.db2.gz VYCYASDKZAHDOB-NSHDSACASA-N 0 1 249.310 1.916 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]CCO)cc1Cl ZINC000825417365 587318870 /nfs/dbraw/zinc/31/88/70/587318870.db2.gz LNILYMUUUXQCGR-UHFFFAOYSA-N 0 1 215.680 1.436 20 10 BDCDMN CNC(=O)CN(C)Cc1ccc(N(C)C)cc1C ZINC000827862345 587405887 /nfs/dbraw/zinc/40/58/87/587405887.db2.gz CARMFLFKFSCJAA-UHFFFAOYSA-N 0 1 249.358 1.239 20 10 BDCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840910300 587929509 /nfs/dbraw/zinc/92/95/09/587929509.db2.gz QDEGNNSHGQKUJO-SECBINFHSA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840910300 587929510 /nfs/dbraw/zinc/92/95/10/587929510.db2.gz QDEGNNSHGQKUJO-SECBINFHSA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cccc(C[N@H+]2CCO[C@H](CF)C2)c1O ZINC000840955702 587931516 /nfs/dbraw/zinc/93/15/16/587931516.db2.gz YHNHHMAVGVDMCV-GFCCVEGCSA-N 0 1 239.290 1.871 20 10 BDCDMN Cc1cccc(CN2CCO[C@H](CF)C2)c1O ZINC000840955702 587931517 /nfs/dbraw/zinc/93/15/17/587931517.db2.gz YHNHHMAVGVDMCV-GFCCVEGCSA-N 0 1 239.290 1.871 20 10 BDCDMN CC(C)(N)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841030399 587936189 /nfs/dbraw/zinc/93/61/89/587936189.db2.gz HNSHZFWKXNGQGX-UHFFFAOYSA-N 0 1 228.723 1.873 20 10 BDCDMN CN(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472114 588267148 /nfs/dbraw/zinc/26/71/48/588267148.db2.gz HAQWNTHMFPKWII-UHFFFAOYSA-N 0 1 242.706 1.223 20 10 BDCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])NC1CC1 ZINC000849049723 588451520 /nfs/dbraw/zinc/45/15/20/588451520.db2.gz VHNXUAQBCUZVQT-UHFFFAOYSA-N 0 1 239.706 1.822 20 10 BDCDMN Cc1ccc(CN(C)CC(=O)N(C)C)c(O)c1 ZINC000876541874 590212780 /nfs/dbraw/zinc/21/27/80/590212780.db2.gz LFPZIVDKEYFARO-UHFFFAOYSA-N 0 1 236.315 1.221 20 10 BDCDMN Cc1ccc(CN2CCO[C@@H](C)C2)c(O)c1 ZINC000876557022 590215738 /nfs/dbraw/zinc/21/57/38/590215738.db2.gz DUMPTKQLSGMIAJ-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1ccc(CN[C@H](C)c2ncnn2C)c(O)c1 ZINC000877469784 590334820 /nfs/dbraw/zinc/33/48/20/590334820.db2.gz YZGJLWRXBPDSFG-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN CCOc1ccc(O)c(CNC2(C)COC2)c1 ZINC000877691563 590393430 /nfs/dbraw/zinc/39/34/30/590393430.db2.gz RKNPYXLPUULOSU-UHFFFAOYSA-N 0 1 237.299 1.669 20 10 BDCDMN CN(C)c1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1 ZINC000076633882 631301212 /nfs/dbraw/zinc/30/12/12/631301212.db2.gz HZWXHTLGMMBOID-UHFFFAOYSA-N 0 1 248.326 1.802 20 10 BDCDMN Cc1cccc(CNCc2cc[nH]n2)c1O ZINC000162826265 633040532 /nfs/dbraw/zinc/04/05/32/633040532.db2.gz VYFXWEKFWQXNLB-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN CCN(CC(N)=O)Cc1cc(Cl)ccc1O ZINC000188466351 634146243 /nfs/dbraw/zinc/14/62/43/634146243.db2.gz PKQBXDKRPOWBJT-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN COc1cccc(CN(C)Cc2nnc[nH]2)c1O ZINC000179795947 642746941 /nfs/dbraw/zinc/74/69/41/642746941.db2.gz IOIBBQDEAOYAHU-UHFFFAOYSA-N 0 1 248.286 1.151 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]CCCCO ZINC000193281879 644231813 /nfs/dbraw/zinc/23/18/13/644231813.db2.gz WAQNTQXOZGXGOG-UHFFFAOYSA-N 0 1 229.707 1.908 20 10 BDCDMN C[C@H](NCc1cn(C)nn1)c1ccccc1O ZINC000389835638 711090164 /nfs/dbraw/zinc/09/01/64/711090164.db2.gz OHPLMMOADUSXKZ-VIFPVBQESA-N 0 1 232.287 1.372 20 10 BDCDMN Cc1nnc(CN[C@H](C)c2ccccc2O)[nH]1 ZINC000392465481 711149021 /nfs/dbraw/zinc/14/90/21/711149021.db2.gz RWYOJCNCOPTDNG-MRVPVSSYSA-N 0 1 232.287 1.670 20 10 BDCDMN Cc1cc(C(=O)N(C)Cc2ccccc2O)n[nH]1 ZINC000701180835 712017960 /nfs/dbraw/zinc/01/79/60/712017960.db2.gz RAZIADGAIKBIDX-UHFFFAOYSA-N 0 1 245.282 1.696 20 10 BDCDMN C[C@H]1CC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231560814 977636635 /nfs/dbraw/zinc/63/66/35/977636635.db2.gz NOKUVPRAEGBDCB-QMMMGPOBSA-N 0 1 221.256 1.685 20 10 BDCDMN C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])C[C@H]1[NH3+] ZINC001206065442 971148717 /nfs/dbraw/zinc/14/87/17/971148717.db2.gz VRUSUHGSPYLATK-RDDDGLTNSA-N 0 1 242.269 1.449 20 10 BDCDMN COc1cccc(N)c1N[C@H]1CC[N@@H+](C)C1 ZINC001167278172 957624996 /nfs/dbraw/zinc/62/49/96/957624996.db2.gz ATNQNZHTYZTQKY-VIFPVBQESA-N 0 1 221.304 1.393 20 10 BDCDMN Oc1cc(F)cc(F)c1CN1CCO[C@H]2C[C@H]21 ZINC001140585634 960444579 /nfs/dbraw/zinc/44/45/79/960444579.db2.gz QEEGVNIVOHHADY-PWSUYJOCSA-N 0 1 241.237 1.644 20 10 BDCDMN Cc1ccc(O)c(CN2CC(C)(O)C2)c1 ZINC001140617104 960460950 /nfs/dbraw/zinc/46/09/50/960460950.db2.gz FEBYWQPWEONQSM-UHFFFAOYSA-N 0 1 207.273 1.267 20 10 BDCDMN CC(=O)N1CCN(Cc2ccccc2O)C[C@H]1C ZINC001203558257 966689247 /nfs/dbraw/zinc/68/92/47/966689247.db2.gz APLZZHSEVZYDEY-LLVKDONJSA-N 0 1 248.326 1.445 20 10 BDCDMN COc1cccc(CN2CC3(CC(O)C3)C2)c1O ZINC001203584915 966694641 /nfs/dbraw/zinc/69/46/41/966694641.db2.gz JTFZNHBONIQPNR-UHFFFAOYSA-N 0 1 249.310 1.358 20 10 BDCDMN C[C@@H]1CCN(Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203876050 966805306 /nfs/dbraw/zinc/80/53/06/966805306.db2.gz ZZRZTMACERZEII-NOZJJQNGSA-N 0 1 237.299 1.301 20 10 BDCDMN C[C@@H]1CO[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203879987 966805878 /nfs/dbraw/zinc/80/58/78/966805878.db2.gz LFLLGUXPRIDPGN-GLXFQSAKSA-N 0 1 249.310 1.565 20 10 BDCDMN C[C@H]1COCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874675 966807065 /nfs/dbraw/zinc/80/70/65/966807065.db2.gz BHKOVTLKXSDGSK-SNVBAGLBSA-N 0 1 237.299 1.566 20 10 BDCDMN CN(C)c1ccc(CN2CC3(CC(O)C3)C2)cc1 ZINC001203930350 966824830 /nfs/dbraw/zinc/82/48/30/966824830.db2.gz SSTUVGXTPNZTLP-UHFFFAOYSA-N 0 1 246.354 1.709 20 10 BDCDMN [NH3+][C@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1F ZINC001204820546 967186636 /nfs/dbraw/zinc/18/66/36/967186636.db2.gz RLTZZDLGZYWFLA-ZJUUUORDSA-N 0 1 228.242 1.012 20 10 BDCDMN COCCN1CCCc2cc(O)c(O)cc2C1 ZINC001209210682 969400367 /nfs/dbraw/zinc/40/03/67/969400367.db2.gz DTLUZFCYVSLYTK-UHFFFAOYSA-N 0 1 237.299 1.492 20 10 BDCDMN Oc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(O)c1O ZINC001233014374 978412933 /nfs/dbraw/zinc/41/29/33/978412933.db2.gz RUJGOWPEKJMANI-DTORHVGOSA-N 0 1 221.256 1.255 20 10 BDCDMN Oc1c(CN2CCCO2)ccc(F)c1F ZINC001233074708 978457252 /nfs/dbraw/zinc/45/72/52/978457252.db2.gz UEPCDJYEDWQUCH-UHFFFAOYSA-N 0 1 215.199 1.808 20 10 BDCDMN C[C@H]1CCN(Cc2ccc(N)cc2)[C@H](C(N)=O)C1 ZINC001337838292 978519445 /nfs/dbraw/zinc/51/94/45/978519445.db2.gz NHWXLNKQJIZWLW-GWCFXTLKSA-N 0 1 247.342 1.355 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)cc2O)C[C@@H](C)O1 ZINC001204272062 978897263 /nfs/dbraw/zinc/89/72/63/978897263.db2.gz JBPYCJZCPNLTFH-NXEZZACHSA-N 0 1 237.299 1.707 20 10 BDCDMN C[N@@H+](CCO)Cc1cccc(C(F)(F)F)c1[O-] ZINC001236255128 979474959 /nfs/dbraw/zinc/47/49/59/979474959.db2.gz ALXJGDMVTYUHIC-UHFFFAOYSA-N 0 1 249.232 1.835 20 10 BDCDMN C[N@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001236255548 979477275 /nfs/dbraw/zinc/47/72/75/979477275.db2.gz PPDLCLVPQNIHMZ-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[N@@H+](CCO)Cc1ccc(Cl)cc1[O-] ZINC001236255548 979477276 /nfs/dbraw/zinc/47/72/76/979477276.db2.gz PPDLCLVPQNIHMZ-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN COc1ccc(CN2CC(=O)C2)c(O)c1Cl ZINC001236808539 979739738 /nfs/dbraw/zinc/73/97/38/979739738.db2.gz DCXKUIGUQGZFHC-UHFFFAOYSA-N 0 1 241.674 1.439 20 10 BDCDMN C[N@H+](CCCCC(=O)[O-])c1ccc(N)cc1 ZINC001606117150 979959929 /nfs/dbraw/zinc/95/99/29/979959929.db2.gz KSQODNVEPSKZNA-UHFFFAOYSA-N 0 1 222.288 1.960 20 10 BDCDMN C[N@@H+](CCCCC(=O)[O-])c1ccc(N)cc1 ZINC001606117150 979959964 /nfs/dbraw/zinc/95/99/64/979959964.db2.gz KSQODNVEPSKZNA-UHFFFAOYSA-N 0 1 222.288 1.960 20 10 BDCDMN C[C@H]1CN(Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875820 982558038 /nfs/dbraw/zinc/55/80/38/982558038.db2.gz WKJBFTLGZWXLLB-GXSJLCMTSA-N 0 1 237.299 1.301 20 10 BDCDMN C[C@@H]1CCN(Cc2cccc(F)c2[O-])C[C@@H]1[NH3+] ZINC001205868488 982947735 /nfs/dbraw/zinc/94/77/35/982947735.db2.gz GIUCHDGRZOEUNQ-SKDRFNHKSA-N 0 1 238.306 1.700 20 10 BDCDMN C[NH2+]CCN(C)Cc1cc(F)c(F)cc1[O-] ZINC001578704180 985304932 /nfs/dbraw/zinc/30/49/32/985304932.db2.gz OQNZRULONNIOHS-UHFFFAOYSA-N 0 1 230.258 1.322 20 10 BDCDMN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)n[nH]1 ZINC001471355883 987091679 /nfs/dbraw/zinc/09/16/79/987091679.db2.gz YWENKFAZVAZDJQ-UHFFFAOYSA-N 0 1 243.266 1.580 20 10 BDCDMN C[C@H](NCC[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001119743374 989377722 /nfs/dbraw/zinc/37/77/22/989377722.db2.gz JCNLCOZVSQFAFI-JTQLQIEISA-N 0 1 237.303 1.680 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)[C@@H](C(=O)[O-])C1 ZINC001604754412 990288594 /nfs/dbraw/zinc/28/85/94/990288594.db2.gz VZBPKHHLDCEGMG-GXFFZTMASA-N 0 1 248.326 1.954 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001137831505 990853608 /nfs/dbraw/zinc/85/36/08/990853608.db2.gz CAHWFUCTTCCTKP-JQWIXIFHSA-N 0 1 243.253 1.436 20 10 BDCDMN C[N@@H+](Cc1c([O-])cccc1F)[C@@H]1CCOC1 ZINC001137837814 990858050 /nfs/dbraw/zinc/85/80/50/990858050.db2.gz VRPYGDVNKUEGQV-SECBINFHSA-N 0 1 225.263 1.752 20 10 BDCDMN CC[N@@H+](CCC(N)=O)Cc1c([O-])cccc1F ZINC001137837842 990858391 /nfs/dbraw/zinc/85/83/91/990858391.db2.gz WWSJPPRAJNBHNI-UHFFFAOYSA-N 0 1 240.278 1.229 20 10 BDCDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122730 990885215 /nfs/dbraw/zinc/88/52/15/990885215.db2.gz YYESRSGEWQTABY-ONGXEEELSA-N 0 1 239.290 1.734 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001139684940 991312741 /nfs/dbraw/zinc/31/27/41/991312741.db2.gz RVGUAABDNJHUIO-QMMMGPOBSA-N 0 1 243.253 1.485 20 10 BDCDMN Cc1ccc(C)c(CN2C[C@@H](O)[C@@H](F)C2)c1O ZINC001140178167 991551461 /nfs/dbraw/zinc/55/14/61/991551461.db2.gz BKRAPPQHRALRBH-NWDGAFQWSA-N 0 1 239.290 1.524 20 10 BDCDMN COc1ccc(CNCC(=O)N(C)C)cc1C ZINC000035052682 343283576 /nfs/dbraw/zinc/28/35/76/343283576.db2.gz ITXJVGRXNFLKRH-UHFFFAOYSA-N 0 1 236.315 1.181 20 10 BDCDMN Oc1ccccc1CNCc1cc[nH]n1 ZINC000041014071 183303974 /nfs/dbraw/zinc/30/39/74/183303974.db2.gz TTXYWMVCWUSPLH-UHFFFAOYSA-N 0 1 203.245 1.405 20 10 BDCDMN CCCN(Cc1ccccc1O)[C@H]1CCOC1=O ZINC000076074462 169178751 /nfs/dbraw/zinc/17/87/51/169178751.db2.gz TVXNBXNKAUNTTF-LBPRGKRZSA-N 0 1 249.310 1.920 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+](C)CCCO)c1 ZINC000281797411 385702746 /nfs/dbraw/zinc/70/27/46/385702746.db2.gz OPQPQCMEFXYIMW-UHFFFAOYSA-N 0 1 209.289 1.515 20 10 BDCDMN C[C@@H](O)CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272303993 385892422 /nfs/dbraw/zinc/89/24/22/385892422.db2.gz QHYPWSMJAKPTCS-SECBINFHSA-N 0 1 227.279 1.734 20 10 BDCDMN O=C1OC[C@@H]2C[N@@H+](Cc3ccccc3O)CCN12 ZINC000361054147 397971400 /nfs/dbraw/zinc/97/14/00/397971400.db2.gz UDLMJAZLARUOAW-NSHDSACASA-N 0 1 248.282 1.029 20 10 BDCDMN O=C1N=NC(CSc2nccs2)N1 ZINC000092870267 644670464 /nfs/dbraw/zinc/67/04/64/644670464.db2.gz NSCTUBMSXZKISZ-UHFFFAOYSA-N 0 1 214.275 1.259 20 10 BDCDMN CN(C)c1ccc(CNCc2c[nH]cn2)cc1F ZINC000894207891 583355856 /nfs/dbraw/zinc/35/58/56/583355856.db2.gz ANZJIKPZUPJXNC-UHFFFAOYSA-N 0 1 248.305 1.905 20 10 BDCDMN CC[C@@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894870104 583539724 /nfs/dbraw/zinc/53/97/24/583539724.db2.gz JCRPUDSHTKUBJY-JTQLQIEISA-N 0 1 245.269 1.873 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895646592 583699040 /nfs/dbraw/zinc/69/90/40/583699040.db2.gz HKSLTJQFLDIBDL-CABZTGNLSA-N 0 1 239.702 1.612 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895646592 583699042 /nfs/dbraw/zinc/69/90/42/583699042.db2.gz HKSLTJQFLDIBDL-CABZTGNLSA-N 0 1 239.702 1.612 20 10 BDCDMN Cc1cc(N(C)C)ccc1CNC(=O)CN(C)C ZINC000115725895 588924817 /nfs/dbraw/zinc/92/48/17/588924817.db2.gz DZZIDCXEUWLAEW-UHFFFAOYSA-N 0 1 249.358 1.239 20 10 BDCDMN Cc1ccc(O)c(CN2CC[C@@H](O)[C@@H](F)C2)c1 ZINC000898194252 584096492 /nfs/dbraw/zinc/09/64/92/584096492.db2.gz WSJKCZPCVUTXHF-WCQYABFASA-N 0 1 239.290 1.605 20 10 BDCDMN COc1cc(C)cc(C[N@H+]2CC[C@H]2CO)c1O ZINC000902629258 584646520 /nfs/dbraw/zinc/64/65/20/584646520.db2.gz ARVGDIKOIIGDRH-NSHDSACASA-N 0 1 237.299 1.276 20 10 BDCDMN COC1CN(Cc2cc(C)cc(C)c2O)C1 ZINC000754742716 585289961 /nfs/dbraw/zinc/28/99/61/585289961.db2.gz XZHMVUDKQVDWIF-UHFFFAOYSA-N 0 1 221.300 1.840 20 10 BDCDMN CC[N@@H+](CCOC)Cc1c(O)cccc1OC ZINC000768251376 585534999 /nfs/dbraw/zinc/53/49/99/585534999.db2.gz CEZXOWUEELDWMS-UHFFFAOYSA-N 0 1 239.315 1.869 20 10 BDCDMN C[N@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000799740421 586195707 /nfs/dbraw/zinc/19/57/07/586195707.db2.gz ZUYOHGATXDUGNP-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[N@@H+](CCCO)Cc1cc(Cl)ccc1[O-] ZINC000799740421 586195709 /nfs/dbraw/zinc/19/57/09/586195709.db2.gz ZUYOHGATXDUGNP-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809743158 586516189 /nfs/dbraw/zinc/51/61/89/586516189.db2.gz SPONGWQQSFEFGS-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000809743158 586516190 /nfs/dbraw/zinc/51/61/90/586516190.db2.gz SPONGWQQSFEFGS-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN CCOc1ccc(O)c(C[N@@H+](C)CC(=O)[O-])c1 ZINC000820387572 587045492 /nfs/dbraw/zinc/04/54/92/587045492.db2.gz ULZXMQPYIVYWAF-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)CN1CCCC1 ZINC000820880282 587079466 /nfs/dbraw/zinc/07/94/66/587079466.db2.gz ZLKAKQHBDBMDTK-UHFFFAOYSA-N 0 1 248.326 1.446 20 10 BDCDMN C[NH2+][C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843044767 588076482 /nfs/dbraw/zinc/07/64/82/588076482.db2.gz IMSPVWDWYOWXCH-JTQLQIEISA-N 0 1 224.279 1.325 20 10 BDCDMN CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000006027047 588314469 /nfs/dbraw/zinc/31/44/69/588314469.db2.gz OABUZGQTMZSWTB-CYBMUJFWSA-N 0 1 248.326 1.802 20 10 BDCDMN C[C@@H](NCc1cn(C)cn1)c1ccccc1O ZINC000851895212 588641882 /nfs/dbraw/zinc/64/18/82/588641882.db2.gz CCGWRXPANCGYTC-SNVBAGLBSA-N 0 1 231.299 1.977 20 10 BDCDMN C[C@@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C ZINC000871203842 589744581 /nfs/dbraw/zinc/74/45/81/589744581.db2.gz SYUUZBCXAXPDPP-VIFPVBQESA-N 0 1 234.299 1.185 20 10 BDCDMN Cc1ccc(CN2CCO[C@H](C)C2)c(O)c1 ZINC000876557018 590215560 /nfs/dbraw/zinc/21/55/60/590215560.db2.gz DUMPTKQLSGMIAJ-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1cccc(O)c1CN1CC(=O)N(C)[C@@H](C)C1 ZINC000877500839 590341988 /nfs/dbraw/zinc/34/19/88/590341988.db2.gz DTBBWEZTYAFJQM-NSHDSACASA-N 0 1 248.326 1.363 20 10 BDCDMN CC1(O)CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000877580931 590365947 /nfs/dbraw/zinc/36/59/47/590365947.db2.gz KABPCOIXQLIWGD-UHFFFAOYSA-N 0 1 245.681 1.751 20 10 BDCDMN CCOc1ccc(O)c(CNCc2ncc[nH]2)c1 ZINC000877672581 590389583 /nfs/dbraw/zinc/38/95/83/590389583.db2.gz HOHIZBNZNQOZIP-UHFFFAOYSA-N 0 1 247.298 1.804 20 10 BDCDMN CN(C)c1ccc(CNC2(C)COC2)cc1F ZINC000877691379 590392909 /nfs/dbraw/zinc/39/29/09/590392909.db2.gz OKVPPBVCRPQXHS-UHFFFAOYSA-N 0 1 238.306 1.770 20 10 BDCDMN CCN(C#N)CCN(C)Cc1ccccc1O ZINC000878241936 590528649 /nfs/dbraw/zinc/52/86/49/590528649.db2.gz KSFTVEZHAPQKOZ-UHFFFAOYSA-N 0 1 233.315 1.627 20 10 BDCDMN O=C1CC[C@H]2CN(Cc3ccccc3O)CCN12 ZINC000211633382 591208736 /nfs/dbraw/zinc/20/87/36/591208736.db2.gz IHCNKIPXRWHITO-LBPRGKRZSA-N 0 1 246.310 1.199 20 10 BDCDMN C[C@H](NCc1ccn(C)n1)c1ccccc1O ZINC000213218820 591455977 /nfs/dbraw/zinc/45/59/77/591455977.db2.gz BYNNPSIUYNDCQN-JTQLQIEISA-N 0 1 231.299 1.977 20 10 BDCDMN Cc1cc(Cl)cc(C[N@@H+](C)CCO)c1O ZINC000132475615 591711125 /nfs/dbraw/zinc/71/11/25/591711125.db2.gz QNPUVKPJXYUWJQ-UHFFFAOYSA-N 0 1 229.707 1.778 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+](C)CC(=O)[O-])c1 ZINC000078636250 598117256 /nfs/dbraw/zinc/11/72/56/598117256.db2.gz 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236.315 1.316 20 10 BDCDMN CC(=O)N1CCN(Cc2cc(C)ccc2O)CC1 ZINC000131776598 345307745 /nfs/dbraw/zinc/30/77/45/345307745.db2.gz ILERCZODEKJBAI-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368801166 187385035 /nfs/dbraw/zinc/38/50/35/187385035.db2.gz WNQVLHTWHZTBGD-LLVKDONJSA-N 0 1 237.274 1.488 20 10 BDCDMN CCN(CC(N)=O)Cc1cc(C)ccc1O ZINC000188466423 385056223 /nfs/dbraw/zinc/05/62/23/385056223.db2.gz CUBXGPVYDJAUHO-UHFFFAOYSA-N 0 1 222.288 1.008 20 10 BDCDMN C[C@H](C(=O)NC1CC1)N(C)Cc1ccccc1O ZINC000109773588 385191102 /nfs/dbraw/zinc/19/11/02/385191102.db2.gz JTSYZOGFPJUQEV-SNVBAGLBSA-N 0 1 248.326 1.491 20 10 BDCDMN CC(=O)N1CCN(Cc2ccccc2O)[C@@H](C)C1 ZINC000271468154 385830313 /nfs/dbraw/zinc/83/03/13/385830313.db2.gz YEUJYPYSUCPZEP-NSHDSACASA-N 0 1 248.326 1.445 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272531831 385910002 /nfs/dbraw/zinc/91/00/02/385910002.db2.gz NDLUTXPRJBSOLX-NWDGAFQWSA-N 0 1 235.327 1.903 20 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CC[N@@H+](CCC(N)=O)Cc1cccc(C)c1O ZINC000896712542 583826611 /nfs/dbraw/zinc/82/66/11/583826611.db2.gz QXNJWFQOUUCUCK-UHFFFAOYSA-N 0 1 236.315 1.398 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1O ZINC000897678345 584035959 /nfs/dbraw/zinc/03/59/59/584035959.db2.gz AIYUXJWHXZCUPF-OIBJUYFYSA-N 0 1 243.253 1.483 20 10 BDCDMN OCC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000770511029 585575428 /nfs/dbraw/zinc/57/54/28/585575428.db2.gz VXWAHOVNIZPNBU-GFCCVEGCSA-N 0 1 235.327 1.987 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521805 585699910 /nfs/dbraw/zinc/69/99/10/585699910.db2.gz UNNVBAISOWFRPL-ZETCQYMHSA-N 0 1 247.697 1.997 20 10 BDCDMN Cc1cccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c1O ZINC000821112365 587096461 /nfs/dbraw/zinc/09/64/61/587096461.db2.gz VQECCROIRGMVOU-NSHDSACASA-N 0 1 235.283 1.750 20 10 BDCDMN Cc1cccc(C[N@H+]2CCC3(COC3)C2)c1O ZINC000827645253 587394325 /nfs/dbraw/zinc/39/43/25/587394325.db2.gz SRMQDQVIDPURLY-UHFFFAOYSA-N 0 1 233.311 1.923 20 10 BDCDMN C[C@H]1[NH2+]CCN(Cc2cccc(F)c2[O-])[C@@H]1C ZINC000843057226 588078196 /nfs/dbraw/zinc/07/81/96/588078196.db2.gz GXSVQLWCTJRGIF-NXEZZACHSA-N 0 1 238.306 1.714 20 10 BDCDMN [NH2+]=C(NCc1cc(Cl)ccc1[O-])N1CCC1 ZINC000849049228 588451410 /nfs/dbraw/zinc/45/14/10/588451410.db2.gz OSFBOSQGCWDDPQ-UHFFFAOYSA-N 0 1 239.706 1.776 20 10 BDCDMN CN(Cc1cncnc1)Cc1ccccc1O ZINC000120027578 589357809 /nfs/dbraw/zinc/35/78/09/589357809.db2.gz JTMMOTWMYRLLIM-UHFFFAOYSA-N 0 1 229.283 1.814 20 10 BDCDMN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(C)C ZINC000873829338 590073748 /nfs/dbraw/zinc/07/37/48/590073748.db2.gz OYSVVALYYSGUKS-LLVKDONJSA-N 0 1 249.358 1.319 20 10 BDCDMN Cc1cccc(O)c1CN1CCO[C@@H](C)C1 ZINC000876556871 590215927 /nfs/dbraw/zinc/21/59/27/590215927.db2.gz WTLOSSJULYWVPF-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN [O-]c1c(C[N@@H+]2CC[C@@H](CO)C2)ccc(F)c1F ZINC000876660518 590227392 /nfs/dbraw/zinc/22/73/92/590227392.db2.gz UUAVZFDMXLZSIA-MRVPVSSYSA-N 0 1 243.253 1.485 20 10 BDCDMN Cc1ccc(C[N@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000876791021 590241256 /nfs/dbraw/zinc/24/12/56/590241256.db2.gz HSMIQHLVJZYACM-ZDUSSCGKSA-N 0 1 221.300 1.657 20 10 BDCDMN Cc1cccc(O)c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000877503307 590343209 /nfs/dbraw/zinc/34/32/09/590343209.db2.gz ILBYFNFCOGHCJM-TXEJJXNPSA-N 0 1 249.310 1.300 20 10 BDCDMN Cc1cccc(O)c1CN1CCc2n[nH]nc2C1 ZINC000877641608 590382298 /nfs/dbraw/zinc/38/22/98/590382298.db2.gz BDFLPOIFHHBWRN-UHFFFAOYSA-N 0 1 244.298 1.377 20 10 BDCDMN Cc1ccc(CN2CCc3n[nH]cc3C2)c(O)c1 ZINC000877648342 590383684 /nfs/dbraw/zinc/38/36/84/590383684.db2.gz DVRZGIIFKWJZRB-UHFFFAOYSA-N 0 1 243.310 1.982 20 10 BDCDMN C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000083410126 598126894 /nfs/dbraw/zinc/12/68/94/598126894.db2.gz UHMXPIORVHXACZ-UHFFFAOYSA-N 0 1 243.690 1.952 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000083406943 598131426 /nfs/dbraw/zinc/13/14/26/598131426.db2.gz NGGHMMSWQDMYGA-SECBINFHSA-N 0 1 223.272 1.606 20 10 BDCDMN Cc1cc(O)c(C[N@@H+](C)CC(=O)[O-])cc1C ZINC000738463458 600424181 /nfs/dbraw/zinc/42/41/81/600424181.db2.gz FDMKZJZVODQWGS-UHFFFAOYSA-N 0 1 223.272 1.525 20 10 BDCDMN C[C@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)ccc1[O-] ZINC000925862324 635559793 /nfs/dbraw/zinc/55/97/93/635559793.db2.gz OHVAIEVVLWOQAY-IONNQARKSA-N 0 1 242.706 1.600 20 10 BDCDMN CN(C)c1ccc(CNCc2cnccn2)cc1 ZINC000054765669 640409599 /nfs/dbraw/zinc/40/95/99/640409599.db2.gz LGYYQLLCHMULLQ-UHFFFAOYSA-N 0 1 242.326 1.832 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)CC[C@@H]1C(=O)[O-] ZINC000306071586 642719528 /nfs/dbraw/zinc/71/95/28/642719528.db2.gz WQWCDUSQPDYHJX-PWSUYJOCSA-N 0 1 249.310 1.935 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000086728709 644168842 /nfs/dbraw/zinc/16/88/42/644168842.db2.gz FEDVWOCDJHZGMR-NSHDSACASA-N 0 1 249.310 1.997 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(C)ccc1O ZINC000086803406 644180885 /nfs/dbraw/zinc/18/08/85/644180885.db2.gz BZTRXLJIPBINRM-LLVKDONJSA-N 0 1 237.299 1.996 20 10 BDCDMN CCC[N@@H+](CCO)Cc1ccccc1O ZINC000304754399 644930990 /nfs/dbraw/zinc/93/09/90/644930990.db2.gz YUZAJTMSVIPGFN-UHFFFAOYSA-N 0 1 209.289 1.597 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816569107 644963498 /nfs/dbraw/zinc/96/34/98/644963498.db2.gz ZRBJKPAZEQMINR-SSDOTTSWSA-N 0 1 247.697 1.997 20 10 BDCDMN CN(C)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703362907 712073928 /nfs/dbraw/zinc/07/39/28/712073928.db2.gz CUZKEYKFNXMFJA-UHFFFAOYSA-N 0 1 244.285 1.712 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)C1CC1 ZINC000381631387 710664576 /nfs/dbraw/zinc/66/45/76/710664576.db2.gz QRKKMFUSSAGLPW-LLVKDONJSA-N 0 1 241.718 1.906 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)c1ccn[nH]1 ZINC000394938355 711199987 /nfs/dbraw/zinc/19/99/87/711199987.db2.gz DWYSBYWPFRVVMQ-UHFFFAOYSA-N 0 1 231.255 1.388 20 10 BDCDMN COc1ccc(O)c(CNCc2conc2C)c1 ZINC000397907881 711397218 /nfs/dbraw/zinc/39/72/18/711397218.db2.gz XLLRHEIJIQAXMD-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@H+]1CCCOCC1 ZINC001142509000 964345500 /nfs/dbraw/zinc/34/55/00/964345500.db2.gz SKHGWBLTLDGJIM-UHFFFAOYSA-N 0 1 243.253 1.893 20 10 BDCDMN COc1cc(N(C)C)ccc1CN(C)CCO ZINC001236256984 979476413 /nfs/dbraw/zinc/47/64/13/979476413.db2.gz XVHSJZSHUUJEGM-UHFFFAOYSA-N 0 1 238.331 1.185 20 10 BDCDMN O=C1CN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798693 980049535 /nfs/dbraw/zinc/04/95/35/980049535.db2.gz LOARKKBLQURWEM-UHFFFAOYSA-N 0 1 229.638 1.569 20 10 BDCDMN CN(CC[NH+](C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142502243 961454001 /nfs/dbraw/zinc/45/40/01/961454001.db2.gz KUCUMUXXVHPEIF-UHFFFAOYSA-N 0 1 244.285 1.664 20 10 BDCDMN O=C(C[NH2+][C@H]1C[C@H]2C[C@H]2C1)c1ccc([O-])c(O)c1 ZINC001167909555 961813555 /nfs/dbraw/zinc/81/35/55/961813555.db2.gz OFIHBCVULAPUPH-URLYPYJESA-N 0 1 247.294 1.669 20 10 BDCDMN C[C@]1([NH3+])CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001204783570 963547208 /nfs/dbraw/zinc/54/72/08/963547208.db2.gz UDBDRDWJIPQAJH-LBPRGKRZSA-N 0 1 242.269 1.594 20 10 BDCDMN Oc1ccccc1CN1CC(N2CC(F)C2)C1 ZINC001203547775 966678609 /nfs/dbraw/zinc/67/86/09/966678609.db2.gz XUAJZTGTGRQQDQ-UHFFFAOYSA-N 0 1 236.290 1.230 20 10 BDCDMN COc1ccc(CN(C)C2(C)COC2)c(O)c1 ZINC001203629258 966714069 /nfs/dbraw/zinc/71/40/69/966714069.db2.gz URCTTXBWZQGRSG-UHFFFAOYSA-N 0 1 237.299 1.622 20 10 BDCDMN COCCN(C)Cc1ccc(O)c(O)c1 ZINC001203873944 966805052 /nfs/dbraw/zinc/80/50/52/966805052.db2.gz KAIPJGCPDHRPLX-UHFFFAOYSA-N 0 1 211.261 1.176 20 10 BDCDMN O=C1NCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203549950 966925485 /nfs/dbraw/zinc/92/54/85/966925485.db2.gz DPHSGIMGIRKPFB-CQSZACIVSA-N 0 1 246.310 1.104 20 10 BDCDMN CC1([NH3+])CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001204985030 967277012 /nfs/dbraw/zinc/27/70/12/967277012.db2.gz BWHDTPOKLVILCS-UHFFFAOYSA-N 0 1 228.242 1.203 20 10 BDCDMN CNC(=O)CC[N@@H+](C)Cc1c([O-])cccc1F ZINC001137837868 967899328 /nfs/dbraw/zinc/89/93/28/967899328.db2.gz XQJGGKHRNRXUSU-UHFFFAOYSA-N 0 1 240.278 1.099 20 10 BDCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])C1(C)COC1 ZINC001233078439 978465698 /nfs/dbraw/zinc/46/56/98/978465698.db2.gz WFKUJOWGZBPRLB-UHFFFAOYSA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001600543483 978700149 /nfs/dbraw/zinc/70/01/49/978700149.db2.gz YWLCDJMWQJUTAY-GHMZBOCLSA-N 0 1 249.310 1.996 20 10 BDCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CC=CC1 ZINC001193589165 981378388 /nfs/dbraw/zinc/37/83/88/981378388.db2.gz FPFSWHFWMUQWOU-UHFFFAOYSA-N 0 1 239.658 1.763 20 10 BDCDMN CCc1cccc(CN(C)CC(=O)NC)c1O ZINC000692109561 985408366 /nfs/dbraw/zinc/40/83/66/985408366.db2.gz PCUXKQKOQODHDO-UHFFFAOYSA-N 0 1 236.315 1.132 20 10 BDCDMN Oc1ccccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718252183 985841399 /nfs/dbraw/zinc/84/13/99/985841399.db2.gz XGFXTOUUDDIWQI-TXEJJXNPSA-N 0 1 219.284 1.470 20 10 BDCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c([O-])cccc1F ZINC001137831702 990853243 /nfs/dbraw/zinc/85/32/43/990853243.db2.gz KHXLGNSQLNTSPX-ZJUUUORDSA-N 0 1 239.290 1.877 20 10 BDCDMN C[C@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])cccc1F ZINC001137839092 990859154 /nfs/dbraw/zinc/85/91/54/990859154.db2.gz QYVMGINLKCGCEX-VHSXEESVSA-N 0 1 239.290 1.877 20 10 BDCDMN COC(=O)CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001138129499 990886781 /nfs/dbraw/zinc/88/67/81/990886781.db2.gz HOVNQLAYTJUDPV-UHFFFAOYSA-N 0 1 241.262 1.526 20 10 BDCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308791891 991136273 /nfs/dbraw/zinc/13/62/73/991136273.db2.gz RSYHNJNYPATORG-SECBINFHSA-N 0 1 245.269 1.873 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCCOCC1 ZINC001139683777 991309759 /nfs/dbraw/zinc/30/97/59/991309759.db2.gz DRWMQDBVWRDKRW-UHFFFAOYSA-N 0 1 243.253 1.893 20 10 BDCDMN C[C@]1(O)CC[N@@H+](Cc2c([O-])c(F)ccc2F)C1 ZINC001139681276 991311261 /nfs/dbraw/zinc/31/12/61/991311261.db2.gz OFDMYTASOOHKEB-LBPRGKRZSA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]1CO ZINC001139680918 991312055 /nfs/dbraw/zinc/31/20/55/991312055.db2.gz FPBLGVPPBKLKOZ-MRVPVSSYSA-N 0 1 243.253 1.627 20 10 BDCDMN C[C@H]([NH2+]Cc1cc(F)c(F)cc1O)C(=O)[O-] ZINC001574289749 992841057 /nfs/dbraw/zinc/84/10/57/992841057.db2.gz RSIZOWJUIWHQTK-YFKPBYRVSA-N 0 1 231.198 1.233 20 10 BDCDMN Cc1cc(CNCc2ccccc2O)on1 ZINC000044985523 178027218 /nfs/dbraw/zinc/02/72/18/178027218.db2.gz WGABTRBFHVHPMS-UHFFFAOYSA-N 0 1 218.256 1.978 20 10 BDCDMN [O-]c1ccc(Br)cc1C[NH2+]CCO ZINC000032025670 342797420 /nfs/dbraw/zinc/79/74/20/342797420.db2.gz ZSQYILLRWOIHIQ-UHFFFAOYSA-N 0 1 246.104 1.237 20 10 BDCDMN Cc1cccc(CN2CCOC[C@@H]2C)c1O ZINC000162813506 179080345 /nfs/dbraw/zinc/08/03/45/179080345.db2.gz HLSLAWRMBLJUNJ-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN CC(C)CONC(=O)c1c(F)ccc(O)c1O ZINC000295427897 188393668 /nfs/dbraw/zinc/39/36/68/188393668.db2.gz MIRXYAFBCMQXNI-UHFFFAOYSA-N 0 1 243.234 1.554 20 10 BDCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000132499437 183154222 /nfs/dbraw/zinc/15/42/22/183154222.db2.gz AAZUEZRNNUAJGC-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000295446756 183259297 /nfs/dbraw/zinc/25/92/97/183259297.db2.gz UXMNPYLQZSJAFU-QMMMGPOBSA-N 0 1 245.681 1.751 20 10 BDCDMN Cc1ccc(O)c(CN[C@H](C)c2nncn2C)c1 ZINC000071407592 384166200 /nfs/dbraw/zinc/16/62/00/384166200.db2.gz WOEUHNSRBRVAGE-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN C[C@H](O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083607998 384782724 /nfs/dbraw/zinc/78/27/24/384782724.db2.gz BLEZNUCEFHSQSP-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN CC[N@@H+](CCO)Cc1c(O)cccc1Cl ZINC000127963359 384917792 /nfs/dbraw/zinc/91/77/92/384917792.db2.gz SDWVKIDPRRGLJW-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN CC[N@@H+](CCO)Cc1c([O-])cccc1Cl ZINC000127963359 384917802 /nfs/dbraw/zinc/91/78/02/384917802.db2.gz SDWVKIDPRRGLJW-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN Cn1cc(C[N@@H+](C)Cc2cccc(F)c2[O-])cn1 ZINC000272272478 385889488 /nfs/dbraw/zinc/88/94/88/385889488.db2.gz LRJXEEAALSXPRF-UHFFFAOYSA-N 0 1 249.289 1.897 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293939645 386671188 /nfs/dbraw/zinc/67/11/88/386671188.db2.gz OEWDQKWFTLYZAM-SSDOTTSWSA-N 0 1 247.697 1.997 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CO ZINC000276698736 177165785 /nfs/dbraw/zinc/16/57/85/177165785.db2.gz DVEGQJLXCCQCET-CABZTGNLSA-N 0 1 239.290 1.734 20 10 BDCDMN Cc1ccc(CNCc2ncc[nH]2)c(O)c1 ZINC000877672279 583343443 /nfs/dbraw/zinc/34/34/43/583343443.db2.gz AAZDJYBDJGNYAS-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN O=C1OCC[C@@H]1NCc1ccc(F)c(F)c1O ZINC000895808251 583732561 /nfs/dbraw/zinc/73/25/61/583732561.db2.gz JBBGCLTZVZDENY-QMMMGPOBSA-N 0 1 243.209 1.076 20 10 BDCDMN Cc1ccc(CN2CC[C@H](O)[C@@H](F)C2)c(O)c1 ZINC000898182394 584093425 /nfs/dbraw/zinc/09/34/25/584093425.db2.gz COISBHRVJRYUEW-RYUDHWBXSA-N 0 1 239.290 1.605 20 10 BDCDMN Oc1ccccc1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898194189 584095988 /nfs/dbraw/zinc/09/59/88/584095988.db2.gz WAHARMHFQCRCCP-JQWIXIFHSA-N 0 1 225.263 1.297 20 10 BDCDMN COc1cccc(O)c1C[N@@H+](C)C1CC1 ZINC000768335261 585535758 /nfs/dbraw/zinc/53/57/58/585535758.db2.gz KWLRXKZYSAVRKH-UHFFFAOYSA-N 0 1 207.273 1.995 20 10 BDCDMN CN(C)c1ccc(CN(C)Cn2cnnc2)cc1 ZINC000776756300 585703730 /nfs/dbraw/zinc/70/37/30/585703730.db2.gz NTKXIXJRDSUDIL-UHFFFAOYSA-N 0 1 245.330 1.434 20 10 BDCDMN C[C@@H](NCc1ccccc1O)c1ncnn1C ZINC000788971522 585932618 /nfs/dbraw/zinc/93/26/18/585932618.db2.gz KKPGNEZLROVCFV-SECBINFHSA-N 0 1 232.287 1.372 20 10 BDCDMN C[C@H](O)CCC[N@@H+](C)Cc1ccccc1O ZINC000789347172 585940815 /nfs/dbraw/zinc/94/08/15/585940815.db2.gz DYFFXEKKYGJEKV-NSHDSACASA-N 0 1 223.316 1.985 20 10 BDCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)ccc1O ZINC000817414117 586801923 /nfs/dbraw/zinc/80/19/23/586801923.db2.gz GBDVBAGFZNLLGM-BXKDBHETSA-N 0 1 239.290 1.877 20 10 BDCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000817414605 586803062 /nfs/dbraw/zinc/80/30/62/586803062.db2.gz MCKHWPVJRFWOAV-MWLCHTKSSA-N 0 1 239.290 1.877 20 10 BDCDMN Cc1cccc(C[N@H+](CC(=O)[O-])C(C)C)c1O ZINC000821111969 587096690 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QGYBJNPEPKNICX-UHFFFAOYSA-N 0 1 237.299 1.916 20 10 BDCDMN COc1cccc(O)c1CN1CC[C@H](F)C1 ZINC000824570267 585028832 /nfs/dbraw/zinc/02/88/32/585028832.db2.gz ABOCJQPLMIVCDV-VIFPVBQESA-N 0 1 225.263 1.945 20 10 BDCDMN C[NH2+][C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843048540 585330431 /nfs/dbraw/zinc/33/04/31/585330431.db2.gz GBULESLBFGFIOZ-NSHDSACASA-N 0 1 238.306 1.715 20 10 BDCDMN Cc1cc(C)c(O)c(CN(C)[C@H]2CCNC2=O)c1 ZINC000758396018 585355648 /nfs/dbraw/zinc/35/56/48/585355648.db2.gz BBEVLLRTULHRRP-LBPRGKRZSA-N 0 1 248.326 1.329 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809745046 586516512 /nfs/dbraw/zinc/51/65/12/586516512.db2.gz CNZDUMXQJULCOH-SSDOTTSWSA-N 0 1 247.697 1.997 20 10 BDCDMN C[N@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816480629 586736291 /nfs/dbraw/zinc/73/62/91/586736291.db2.gz SFTUUIXYXITBES-UHFFFAOYSA-N 0 1 231.295 1.970 20 10 BDCDMN C[N@@H+](CCO)Cc1ccc2ccccc2c1[O-] ZINC000816480629 586736292 /nfs/dbraw/zinc/73/62/92/586736292.db2.gz SFTUUIXYXITBES-UHFFFAOYSA-N 0 1 231.295 1.970 20 10 BDCDMN CNCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817953871 586849087 /nfs/dbraw/zinc/84/90/87/586849087.db2.gz VOZGGIFPNRLIQY-QMMMGPOBSA-N 0 1 239.275 1.170 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000819895306 587000977 /nfs/dbraw/zinc/00/09/77/587000977.db2.gz FQERWMKCINOGMI-ZETCQYMHSA-N 0 1 243.690 1.951 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1O ZINC000819896068 587001454 /nfs/dbraw/zinc/00/14/54/587001454.db2.gz RSKPGGBEDKJAIY-ZETCQYMHSA-N 0 1 227.235 1.436 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1O ZINC000819896068 587001456 /nfs/dbraw/zinc/00/14/56/587001456.db2.gz RSKPGGBEDKJAIY-ZETCQYMHSA-N 0 1 227.235 1.436 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)CN2CCCC2)c1 ZINC000824904592 587292595 /nfs/dbraw/zinc/29/25/95/587292595.db2.gz SCONINKMJRMPAE-UHFFFAOYSA-N 0 1 248.326 1.413 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@]1(C)CO ZINC000827700461 587397651 /nfs/dbraw/zinc/39/76/51/587397651.db2.gz UKCZMKMPXNKFOI-SMDDNHRTSA-N 0 1 235.327 1.843 20 10 BDCDMN Cc1cccc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827903468 587408850 /nfs/dbraw/zinc/40/88/50/587408850.db2.gz IBKNUFUECXLVFD-UHFFFAOYSA-N 0 1 221.300 1.657 20 10 BDCDMN [O-]c1c(F)cccc1CNC[C@@H]1CCC[NH2+]1 ZINC000841035758 587938186 /nfs/dbraw/zinc/93/81/86/587938186.db2.gz LKUCVAMQCBCHAM-JTQLQIEISA-N 0 1 224.279 1.373 20 10 BDCDMN N[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841048045 587939297 /nfs/dbraw/zinc/93/92/97/587939297.db2.gz BKAFASKGXAMUJI-LLVKDONJSA-N 0 1 240.734 1.873 20 10 BDCDMN CC1(C)[NH2+]CC[C@H]1NCc1cccc(F)c1[O-] ZINC000841085447 587946035 /nfs/dbraw/zinc/94/60/35/587946035.db2.gz CPAXBLWNDOXTIG-LLVKDONJSA-N 0 1 238.306 1.761 20 10 BDCDMN CN(Cc1cccc(F)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843048955 588077048 /nfs/dbraw/zinc/07/70/48/588077048.db2.gz BRFZVVXYRGPXDE-SNVBAGLBSA-N 0 1 224.279 1.325 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])[C@@H](C)C[NH2+]1 ZINC000843120085 588083233 /nfs/dbraw/zinc/08/32/33/588083233.db2.gz VJHDWKKQDMBRSF-ZJUUUORDSA-N 0 1 238.306 1.714 20 10 BDCDMN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(F)c1[O-] ZINC000843120084 588083240 /nfs/dbraw/zinc/08/32/40/588083240.db2.gz VJHDWKKQDMBRSF-VHSXEESVSA-N 0 1 238.306 1.714 20 10 BDCDMN Cc1cccc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000844937859 588219441 /nfs/dbraw/zinc/21/94/41/588219441.db2.gz YOFLLKHZQBYXJI-UHFFFAOYSA-N 0 1 249.310 1.997 20 10 BDCDMN CCNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849049901 588451449 /nfs/dbraw/zinc/45/14/49/588451449.db2.gz VPWOEWXDMVQPHA-UHFFFAOYSA-N 0 1 227.695 1.679 20 10 BDCDMN Cc1cccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1O ZINC000874044597 590086643 /nfs/dbraw/zinc/08/66/43/590086643.db2.gz GKWDUICGJKVOIN-LBPRGKRZSA-N 0 1 249.310 1.997 20 10 BDCDMN C[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876792799 590241888 /nfs/dbraw/zinc/24/18/88/590241888.db2.gz ZMNGHOIHRPKWES-GFCCVEGCSA-N 0 1 243.253 1.627 20 10 BDCDMN COc1ccc(CNC2(C)COC2)cc1C ZINC000877691356 590392731 /nfs/dbraw/zinc/39/27/31/590392731.db2.gz NSXSUECMRVFAJY-UHFFFAOYSA-N 0 1 221.300 1.882 20 10 BDCDMN C[N@@H+](CCC(=O)[O-])Cc1c(O)cccc1Cl ZINC000128820559 591166205 /nfs/dbraw/zinc/16/62/05/591166205.db2.gz KOOSQGJOHDZNRV-UHFFFAOYSA-N 0 1 243.690 1.952 20 10 BDCDMN C[C@H](O)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130639531 591490436 /nfs/dbraw/zinc/49/04/36/591490436.db2.gz QCHQLSNQXBZIKK-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130639531 591490439 /nfs/dbraw/zinc/49/04/39/591490439.db2.gz QCHQLSNQXBZIKK-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000086726636 598134307 /nfs/dbraw/zinc/13/43/07/598134307.db2.gz IVJHIRJHUIYJPR-LLVKDONJSA-N 0 1 235.283 1.750 20 10 BDCDMN C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)ccc1[O-] ZINC000925862325 635558685 /nfs/dbraw/zinc/55/86/85/635558685.db2.gz OHVAIEVVLWOQAY-VXNVDRBHSA-N 0 1 242.706 1.600 20 10 BDCDMN C[C@H](NCc1ccccc1O)c1nccn1C ZINC000164019769 640433348 /nfs/dbraw/zinc/43/33/48/640433348.db2.gz NBAZVIMCSYMVRB-JTQLQIEISA-N 0 1 231.299 1.977 20 10 BDCDMN Cc1cccc(CNCc2ncc[nH]2)c1O ZINC000165166288 640543798 /nfs/dbraw/zinc/54/37/98/640543798.db2.gz PWGFKZOLEGSQAU-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN COc1ccc(C[NH2+]Cc2c[nH]cn2)c(O)c1 ZINC000088750586 641386787 /nfs/dbraw/zinc/38/67/87/641386787.db2.gz NYTKSSRSPBUUDM-UHFFFAOYSA-N 0 1 233.271 1.414 20 10 BDCDMN Cc1nnc(NC(=O)c2ccc(C)c(O)c2O)[nH]1 ZINC000182377783 643010572 /nfs/dbraw/zinc/01/05/72/643010572.db2.gz OGXCQUHNAAXELV-UHFFFAOYSA-N 0 1 248.242 1.085 20 10 BDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1O ZINC000234057439 643390970 /nfs/dbraw/zinc/39/09/70/643390970.db2.gz DQIJKWUQWOYJOF-JTQLQIEISA-N 0 1 241.262 1.826 20 10 BDCDMN Cn1ccc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000386205794 711024737 /nfs/dbraw/zinc/02/47/37/711024737.db2.gz MAQMUVNSAVDRFD-GFCCVEGCSA-N 0 1 243.310 1.903 20 10 BDCDMN CCn1cnc(CNCc2ccccc2O)c1 ZINC000902155169 710879490 /nfs/dbraw/zinc/87/94/90/710879490.db2.gz FFRXVVCXLFSCIH-UHFFFAOYSA-N 0 1 231.299 1.898 20 10 BDCDMN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000708412071 712194350 /nfs/dbraw/zinc/19/43/50/712194350.db2.gz FPCCBNMHOQHVPC-SNVBAGLBSA-N 0 1 243.253 1.891 20 10 BDCDMN C[C@@H](N[C@H](C)c1ccccc1O)c1nncn1C ZINC000037017449 712529473 /nfs/dbraw/zinc/52/94/73/712529473.db2.gz MVVIGOBWSNPIOU-NXEZZACHSA-N 0 1 246.314 1.933 20 10 BDCDMN CCn1cc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000404505072 971172811 /nfs/dbraw/zinc/17/28/11/971172811.db2.gz LBGIEHFYDLMDPH-JTQLQIEISA-N 0 1 246.314 1.854 20 10 BDCDMN CC1([NH3+])CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001204979685 963305476 /nfs/dbraw/zinc/30/54/76/963305476.db2.gz JLTDZJSIUPGYBV-UHFFFAOYSA-N 0 1 228.242 1.203 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(F)c(F)cc1[O-] ZINC001236254855 966325137 /nfs/dbraw/zinc/32/51/37/966325137.db2.gz FHMVACHGQYFYBU-UHFFFAOYSA-N 0 1 217.215 1.095 20 10 BDCDMN COc1ccc(CN2CCC[C@H]2C(C)=O)c(O)c1 ZINC001203634995 966713944 /nfs/dbraw/zinc/71/39/44/966713944.db2.gz FMHJMFUCXOWMEH-ZDUSSCGKSA-N 0 1 249.310 1.954 20 10 BDCDMN COc1ccc(CN2CCCC23COC3)c(O)c1 ZINC001203627968 966714545 /nfs/dbraw/zinc/71/45/45/966714545.db2.gz SWGICMYVDFCCII-UHFFFAOYSA-N 0 1 249.310 1.766 20 10 BDCDMN Oc1ccc(CN2CCC[C@H](O)C2)cc1O ZINC001203873273 966803692 /nfs/dbraw/zinc/80/36/92/966803692.db2.gz AMLJSWUFQUCLFS-JTQLQIEISA-N 0 1 223.272 1.055 20 10 BDCDMN CO[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874627 966806224 /nfs/dbraw/zinc/80/62/24/966806224.db2.gz AUFWZXIOKNWFRP-JTQLQIEISA-N 0 1 223.272 1.319 20 10 BDCDMN Oc1ccc(CN2CC(C3COC3)C2)cc1O ZINC001203874074 966806879 /nfs/dbraw/zinc/80/68/79/966806879.db2.gz MYTKAMLIPFVPDD-UHFFFAOYSA-N 0 1 235.283 1.176 20 10 BDCDMN Cn1cc(CN2CCc3cccc(O)c3C2)cn1 ZINC001205015499 967292395 /nfs/dbraw/zinc/29/23/95/967292395.db2.gz NJNARKNBSIHGCK-UHFFFAOYSA-N 0 1 243.310 1.684 20 10 BDCDMN COCC[N@@H+](C)Cc1c([O-])cccc1F ZINC001137831580 967819762 /nfs/dbraw/zinc/81/97/62/967819762.db2.gz GCQWJXZNMVXCSF-UHFFFAOYSA-N 0 1 213.252 1.610 20 10 BDCDMN C[C@@H]1CCN(Cc2c([O-])cccc2F)C[C@@H]1[NH3+] ZINC001205868502 967866515 /nfs/dbraw/zinc/86/65/15/967866515.db2.gz HEGNZGAAIHTICD-SKDRFNHKSA-N 0 1 238.306 1.700 20 10 BDCDMN Nc1ccc(CN2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206683929 968430912 /nfs/dbraw/zinc/43/09/12/968430912.db2.gz NPEXBEVKJQFPGU-NSHDSACASA-N 0 1 241.285 1.437 20 10 BDCDMN CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001169561784 969756436 /nfs/dbraw/zinc/75/64/36/969756436.db2.gz XXTQFVYGDZYOAB-CYBMUJFWSA-N 0 1 248.326 1.445 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001231449140 977593091 /nfs/dbraw/zinc/59/30/91/977593091.db2.gz FMGLUBRNPCMKNM-PHIMTYICSA-N 0 1 233.267 1.542 20 10 BDCDMN COCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231561124 977633051 /nfs/dbraw/zinc/63/30/51/977633051.db2.gz RJOYISDXAKGNNR-UHFFFAOYSA-N 0 1 239.271 1.169 20 10 BDCDMN O=C([O-])c1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001231565232 977638572 /nfs/dbraw/zinc/63/85/72/977638572.db2.gz QGMRTHRVWULDFV-QWRGUYRKSA-N 0 1 249.266 1.064 20 10 BDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001231565232 977638577 /nfs/dbraw/zinc/63/85/77/977638577.db2.gz QGMRTHRVWULDFV-QWRGUYRKSA-N 0 1 249.266 1.064 20 10 BDCDMN CO[C@@H]1CN(Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590797 977639932 /nfs/dbraw/zinc/63/99/32/977639932.db2.gz IBUKYLAFTNFGFR-NWDGAFQWSA-N 0 1 239.290 1.869 20 10 BDCDMN Cc1cccc(CN(C)C2COC2)c1O ZINC001231593144 977641946 /nfs/dbraw/zinc/64/19/46/977641946.db2.gz PTRPSKNMHSVVKA-UHFFFAOYSA-N 0 1 207.273 1.531 20 10 BDCDMN Oc1cc(CN2C3CCC2CC3)cc(O)c1O ZINC001233013373 978411091 /nfs/dbraw/zinc/41/10/91/978411091.db2.gz PVUUJKWBGAQXKE-UHFFFAOYSA-N 0 1 235.283 1.930 20 10 BDCDMN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1O ZINC001600532810 978699218 /nfs/dbraw/zinc/69/92/18/978699218.db2.gz WRXPQWFWSCIUNR-CMPLNLGQSA-N 0 1 249.310 1.996 20 10 BDCDMN [NH3+][C@@H]1C[C@H](F)CN(Cc2c([O-])cccc2F)C1 ZINC001206414996 978857191 /nfs/dbraw/zinc/85/71/91/978857191.db2.gz SWTWEFLENPIPQN-DTWKUNHWSA-N 0 1 242.269 1.402 20 10 BDCDMN O=C([O-])C[N@@H+](Cc1cccc(F)c1[O-])C1CC1 ZINC001602059365 978885923 /nfs/dbraw/zinc/88/59/23/978885923.db2.gz WONCPGWGSNMWQN-UHFFFAOYSA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])C[N@@H+](Cc1cccc(F)c1O)C1CC1 ZINC001602059365 978885924 /nfs/dbraw/zinc/88/59/24/978885924.db2.gz WONCPGWGSNMWQN-UHFFFAOYSA-N 0 1 239.246 1.580 20 10 BDCDMN O=C([O-])C[N@H+](Cc1cccc(F)c1O)C1CC1 ZINC001602059365 978885927 /nfs/dbraw/zinc/88/59/27/978885927.db2.gz WONCPGWGSNMWQN-UHFFFAOYSA-N 0 1 239.246 1.580 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(F)cc(Cl)c1[O-] ZINC001236257260 979475939 /nfs/dbraw/zinc/47/59/39/979475939.db2.gz XWOWMCXSWKEKKR-UHFFFAOYSA-N 0 1 233.670 1.609 20 10 BDCDMN C[C@H](N)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260773 979603549 /nfs/dbraw/zinc/60/35/49/979603549.db2.gz YRZSNSJWUZYLEF-YUMQZZPRSA-N 0 1 238.287 1.088 20 10 BDCDMN Cc1cccc(O)c1CN(C)C1COC1 ZINC001237490166 979918875 /nfs/dbraw/zinc/91/88/75/979918875.db2.gz QKINEDLBFPDYJD-UHFFFAOYSA-N 0 1 207.273 1.531 20 10 BDCDMN C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(=O)[O-] ZINC001589067340 982600377 /nfs/dbraw/zinc/60/03/77/982600377.db2.gz JFHPWHRKFCAMCY-YUMQZZPRSA-N 0 1 241.262 1.903 20 10 BDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C)cc1O ZINC001589443479 982790620 /nfs/dbraw/zinc/79/06/20/982790620.db2.gz JTJKMAZRUXVLMT-NSHDSACASA-N 0 1 237.299 1.996 20 10 BDCDMN C[N@H+](CCC(N)=O)Cc1ccc(Cl)cc1[O-] ZINC001474509520 987737345 /nfs/dbraw/zinc/73/73/45/987737345.db2.gz QQCGWYUUGPRHDN-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN C[N@@H+](CCC(N)=O)Cc1ccc(Cl)cc1[O-] ZINC001474509520 987737349 /nfs/dbraw/zinc/73/73/49/987737349.db2.gz QQCGWYUUGPRHDN-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC001137831527 990853092 /nfs/dbraw/zinc/85/30/92/990853092.db2.gz CUHRHCODABSDSA-JTQLQIEISA-N 0 1 239.290 1.736 20 10 BDCDMN C[C@H]1CN(Cc2c([O-])cccc2F)CCC1=O ZINC001137831624 990853122 /nfs/dbraw/zinc/85/31/22/990853122.db2.gz HXNXQTNLHCNIEN-VIFPVBQESA-N 0 1 237.274 1.942 20 10 BDCDMN COC[C@H]1CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137833098 990854387 /nfs/dbraw/zinc/85/43/87/990854387.db2.gz SMVSWKBLOWLMPO-JTQLQIEISA-N 0 1 239.290 2.000 20 10 BDCDMN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c([O-])cccc1F ZINC001137839093 990858868 /nfs/dbraw/zinc/85/88/68/990858868.db2.gz QYVMGINLKCGCEX-ZJUUUORDSA-N 0 1 239.290 1.877 20 10 BDCDMN C[NH+](C)C1CN(Cc2cccc(F)c2[O-])C1 ZINC001138122378 990883550 /nfs/dbraw/zinc/88/35/50/990883550.db2.gz ALLMICIZMFXKEK-UHFFFAOYSA-N 0 1 224.279 1.277 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001138128297 990886564 /nfs/dbraw/zinc/88/65/64/990886564.db2.gz AVIWNGLPQJCVKZ-JOYOIKCWSA-N 0 1 237.274 1.752 20 10 BDCDMN CN(Cc1ccnnc1)Cc1ccccc1O ZINC001139984987 991462550 /nfs/dbraw/zinc/46/25/50/991462550.db2.gz GMBUIDHWOLQIFK-UHFFFAOYSA-N 0 1 229.283 1.814 20 10 BDCDMN COC[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000132743675 384246526 /nfs/dbraw/zinc/24/65/26/384246526.db2.gz AKCDPQCDSSTUHE-NSHDSACASA-N 0 1 221.300 1.861 20 10 BDCDMN CN(C)c1ccc(CN2CC[C@@H](O)C2)cc1F ZINC000126331619 384793492 /nfs/dbraw/zinc/79/34/92/384793492.db2.gz JGLDZUNBJMBOIK-LLVKDONJSA-N 0 1 238.306 1.458 20 10 BDCDMN COC(=O)[C@@H]1CCCN1Cc1cccc(C)c1O ZINC000179661008 385481475 /nfs/dbraw/zinc/48/14/75/385481475.db2.gz HFYCYAGMWGRWNV-LBPRGKRZSA-N 0 1 249.310 1.838 20 10 BDCDMN C[C@H](O)CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000272303994 385892456 /nfs/dbraw/zinc/89/24/56/385892456.db2.gz QHYPWSMJAKPTCS-VIFPVBQESA-N 0 1 227.279 1.734 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293939649 386671351 /nfs/dbraw/zinc/67/13/51/386671351.db2.gz OEWDQKWFTLYZAM-ZETCQYMHSA-N 0 1 247.697 1.997 20 10 BDCDMN CCOCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165418981 170390324 /nfs/dbraw/zinc/39/03/24/170390324.db2.gz RYLWSJDGTMWOBW-UHFFFAOYSA-N 0 1 227.279 2.000 20 10 BDCDMN CN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000042544498 173124121 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C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537464 968809787 /nfs/dbraw/zinc/80/97/87/968809787.db2.gz HPVLISCPGFEKGX-PHIMTYICSA-N 0 1 236.290 1.420 20 10 BDCDMN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001276537464 968809791 /nfs/dbraw/zinc/80/97/91/968809791.db2.gz HPVLISCPGFEKGX-PHIMTYICSA-N 0 1 236.290 1.420 20 10 BDCDMN COc1cnccc1Nc1ccc(O)cc1O ZINC001211262830 970208758 /nfs/dbraw/zinc/20/87/58/970208758.db2.gz MJKHLOQXJXBCDV-UHFFFAOYSA-N 0 1 232.239 1.667 20 10 BDCDMN COc1cnccc1Nc1cc(N)ccc1O ZINC001211263706 970210682 /nfs/dbraw/zinc/21/06/82/970210682.db2.gz ZYOGEVDWEFXYAQ-UHFFFAOYSA-N 0 1 231.255 1.544 20 10 BDCDMN CCN(Cc1c(O)cc(O)cc1O)C1COC1 ZINC001144514647 972857498 /nfs/dbraw/zinc/85/74/98/972857498.db2.gz NFYRSBWAKCQYEN-UHFFFAOYSA-N 0 1 239.271 1.024 20 10 BDCDMN COc1ccc(N2CC3(CN(C)C3)C2)cc1 ZINC001276924940 973302720 /nfs/dbraw/zinc/30/27/20/973302720.db2.gz TVROBNOFSYPZPJ-UHFFFAOYSA-N 0 1 218.300 1.447 20 10 BDCDMN COc1ccc(N2CC3(CCN3C)C2)cc1F ZINC001277009959 974106849 /nfs/dbraw/zinc/10/68/49/974106849.db2.gz PNYCCIHKFPDHBQ-UHFFFAOYSA-N 0 1 236.290 1.729 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](F)C2)c(O)c1 ZINC001231445862 977590371 /nfs/dbraw/zinc/59/03/71/977590371.db2.gz BYADKRXRIJTYCF-JTQLQIEISA-N 0 1 239.246 1.634 20 10 BDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC001231560269 977626510 /nfs/dbraw/zinc/62/65/10/977626510.db2.gz DWKREVOQQHJVHI-JTQLQIEISA-N 0 1 239.246 1.634 20 10 BDCDMN Cc1cc(C)c(CN(C)C2COC2)c(O)c1 ZINC001231846865 977761806 /nfs/dbraw/zinc/76/18/06/977761806.db2.gz RKOKXILMDQEKOR-UHFFFAOYSA-N 0 1 221.300 1.840 20 10 BDCDMN COC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001181390791 979089647 /nfs/dbraw/zinc/08/96/47/979089647.db2.gz KSIUXHZLGSOFSB-SNVBAGLBSA-N 0 1 245.706 1.143 20 10 BDCDMN Oc1ccc(CN2CC[C@@]3(CCCO3)C2)cc1O ZINC001203875152 982554143 /nfs/dbraw/zinc/55/41/43/982554143.db2.gz JCXUENDQLIXOGJ-AWEZNQCLSA-N 0 1 249.310 1.853 20 10 BDCDMN C[N@H+](CC(=O)[O-])Cc1cc(F)c(F)cc1O ZINC001593721294 983346769 /nfs/dbraw/zinc/34/67/69/983346769.db2.gz FWXPFCGIFMZDFU-UHFFFAOYSA-N 0 1 231.198 1.187 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cc(F)c(F)cc1O ZINC001593721294 983346773 /nfs/dbraw/zinc/34/67/73/983346773.db2.gz FWXPFCGIFMZDFU-UHFFFAOYSA-N 0 1 231.198 1.187 20 10 BDCDMN C[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CC(O)C1 ZINC001462068348 986277822 /nfs/dbraw/zinc/27/78/22/986277822.db2.gz MRYFZXNDGIHRPR-UHFFFAOYSA-N 0 1 243.253 1.626 20 10 BDCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c([O-])cccc1F ZINC001137833097 990853306 /nfs/dbraw/zinc/85/33/06/990853306.db2.gz SLXRBTQZHNCZHU-UWVGGRQHSA-N 0 1 239.290 1.877 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])cccc2F)C[C@@H]1O ZINC001137832847 990856190 /nfs/dbraw/zinc/85/61/90/990856190.db2.gz JZJDIVRRWGDXDJ-UFBFGSQYSA-N 0 1 225.263 1.344 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001137833017 990857439 /nfs/dbraw/zinc/85/74/39/990857439.db2.gz PUJGVXIGIHZWEH-SNVBAGLBSA-N 0 1 239.290 1.878 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1CO ZINC001138122527 990885056 /nfs/dbraw/zinc/88/50/56/990885056.db2.gz LAJRMMSDSXDMQT-NSHDSACASA-N 0 1 239.290 1.878 20 10 BDCDMN COC[C@@H]1CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139690200 991316223 /nfs/dbraw/zinc/31/62/23/991316223.db2.gz SSBSESOPNOAVLL-QMMMGPOBSA-N 0 1 243.253 1.891 20 10 BDCDMN OC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC001140053254 991509112 /nfs/dbraw/zinc/50/91/12/991509112.db2.gz XFRNCNQTFAWGQK-GFCCVEGCSA-N 0 1 239.290 1.878 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC001560810939 991610227 /nfs/dbraw/zinc/61/02/27/991610227.db2.gz RKGIZEYBDKLTAP-GFCCVEGCSA-N 0 1 241.718 1.906 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000128158791 343787213 /nfs/dbraw/zinc/78/72/13/343787213.db2.gz WVHGSLIFJYTGIM-JTQLQIEISA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000128158791 343787214 /nfs/dbraw/zinc/78/72/14/343787214.db2.gz WVHGSLIFJYTGIM-JTQLQIEISA-N 0 1 227.691 1.612 20 10 BDCDMN Cc1cccc(CN(C)CC(=O)NC2CC2)c1O ZINC000179606749 179064060 /nfs/dbraw/zinc/06/40/60/179064060.db2.gz AHVGYTUNTIJLHC-UHFFFAOYSA-N 0 1 248.326 1.411 20 10 BDCDMN O=C(NOCC1CC1)c1c(F)ccc(O)c1O ZINC000295570799 182281273 /nfs/dbraw/zinc/28/12/73/182281273.db2.gz KRNRNYCRVRAJJU-UHFFFAOYSA-N 0 1 241.218 1.308 20 10 BDCDMN CCCNC(=O)CN(C)Cc1ccccc1O ZINC000109770301 169219419 /nfs/dbraw/zinc/21/94/19/169219419.db2.gz YFZKMHITSQPTLI-UHFFFAOYSA-N 0 1 236.315 1.350 20 10 BDCDMN CC[N@@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000132478849 384189952 /nfs/dbraw/zinc/18/99/52/384189952.db2.gz IQTBTNGUIVFBDN-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[N@@H+](Cc1ccccc1O)[C@H]1CCOC1 ZINC000132772099 384248781 /nfs/dbraw/zinc/24/87/81/384248781.db2.gz DDXWSEYTYWAFIY-NSHDSACASA-N 0 1 207.273 1.613 20 10 BDCDMN CO[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1O ZINC000289195648 386271314 /nfs/dbraw/zinc/27/13/14/386271314.db2.gz BBNARZKMJSASDL-SECBINFHSA-N 0 1 227.279 1.998 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293927984 386670937 /nfs/dbraw/zinc/67/09/37/386670937.db2.gz HDIVWLXCDVBFIZ-NSHDSACASA-N 0 1 239.290 1.878 20 10 BDCDMN Cc1nc(CN(C)c2ccc3c(c2)OCO3)n[nH]1 ZINC000293328956 386803674 /nfs/dbraw/zinc/80/36/74/386803674.db2.gz WQIRLMPQVUNKGU-UHFFFAOYSA-N 0 1 246.270 1.478 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000234903072 388363701 /nfs/dbraw/zinc/36/37/01/388363701.db2.gz BJRIDLNRQGBHAX-NSHDSACASA-N 0 1 207.273 1.613 20 10 BDCDMN C[N@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000281671973 398061745 /nfs/dbraw/zinc/06/17/45/398061745.db2.gz DJZWHZAMWIDPJO-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[N@@H+](CCCO)Cc1c([O-])cccc1Cl ZINC000281671973 398061749 /nfs/dbraw/zinc/06/17/49/398061749.db2.gz DJZWHZAMWIDPJO-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN CC[N@@H+](CCCO)Cc1cc(F)cc(F)c1[O-] ZINC000894054325 583289979 /nfs/dbraw/zinc/28/99/79/583289979.db2.gz LPZWCXUMARHCRY-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN CC[C@H](CO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894870105 583539485 /nfs/dbraw/zinc/53/94/85/583539485.db2.gz JCRPUDSHTKUBJY-SNVBAGLBSA-N 0 1 245.269 1.873 20 10 BDCDMN O=C1OCC[C@@H]1NCc1cc(F)cc(F)c1O ZINC000895808422 583732517 /nfs/dbraw/zinc/73/25/17/583732517.db2.gz MHRJBRFPSFYRNI-VIFPVBQESA-N 0 1 243.209 1.076 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000770377669 585573296 /nfs/dbraw/zinc/57/32/96/585573296.db2.gz BDCUJJLZVNJWAF-LLVKDONJSA-N 0 1 234.299 1.021 20 10 BDCDMN Cc1ccc(O)c(CN(C)[C@@H]2CCNC2=O)c1 ZINC000770377669 585573297 /nfs/dbraw/zinc/57/32/97/585573297.db2.gz BDCUJJLZVNJWAF-LLVKDONJSA-N 0 1 234.299 1.021 20 10 BDCDMN OC[C@@]1(F)CCN(Cc2ccccc2O)C1 ZINC000802660975 586308704 /nfs/dbraw/zinc/30/87/04/586308704.db2.gz BLBKWHHVDABBEJ-GFCCVEGCSA-N 0 1 225.263 1.299 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000817779290 586827666 /nfs/dbraw/zinc/82/76/66/586827666.db2.gz IWKIGKDKNIYBBK-SECBINFHSA-N 0 1 249.310 1.786 20 10 BDCDMN O=C(CN1CCCC1)NCc1ccccc1O ZINC000821060522 587092175 /nfs/dbraw/zinc/09/21/75/587092175.db2.gz HKUGFPWKAZHHHI-UHFFFAOYSA-N 0 1 234.299 1.104 20 10 BDCDMN Cc1cccc(C[N@@H+](C)CCC(=O)[O-])c1O ZINC000821112257 587096761 /nfs/dbraw/zinc/09/67/61/587096761.db2.gz MTCRFFSDPNUHFR-UHFFFAOYSA-N 0 1 223.272 1.607 20 10 BDCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000821511327 587124184 /nfs/dbraw/zinc/12/41/84/587124184.db2.gz HZSUTJGSWYQUSW-SECBINFHSA-N 0 1 239.246 1.438 20 10 BDCDMN O=C([O-])[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000821511327 587124186 /nfs/dbraw/zinc/12/41/86/587124186.db2.gz HZSUTJGSWYQUSW-SECBINFHSA-N 0 1 239.246 1.438 20 10 BDCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000824567401 587276727 /nfs/dbraw/zinc/27/67/27/587276727.db2.gz SJZRSAKIEJIOKM-JTQLQIEISA-N 0 1 241.718 1.921 20 10 BDCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000824567401 587276728 /nfs/dbraw/zinc/27/67/28/587276728.db2.gz SJZRSAKIEJIOKM-JTQLQIEISA-N 0 1 241.718 1.921 20 10 BDCDMN C[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000825316979 587315083 /nfs/dbraw/zinc/31/50/83/587315083.db2.gz ZZBJOQCXDKYBHK-GXSJLCMTSA-N 0 1 239.290 1.734 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)O)cc1Cl ZINC000825378643 587317624 /nfs/dbraw/zinc/31/76/24/587317624.db2.gz CQRBNXJOESQWQA-MRVPVSSYSA-N 0 1 229.707 1.824 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@]1(C)CO ZINC000827700459 587397619 /nfs/dbraw/zinc/39/76/19/587397619.db2.gz UKCZMKMPXNKFOI-FZMZJTMJSA-N 0 1 235.327 1.843 20 10 BDCDMN CCN(CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840942183 587931220 /nfs/dbraw/zinc/93/12/20/587931220.db2.gz VAXZGLCAMBWUCL-UHFFFAOYSA-N 0 1 249.358 1.368 20 10 BDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(C)c1O ZINC000844938701 588219468 /nfs/dbraw/zinc/21/94/68/588219468.db2.gz WJPDPWCOOQEMGJ-LLVKDONJSA-N 0 1 237.299 1.996 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C/C=C/CO)c(Cl)c1 ZINC000850357595 588538773 /nfs/dbraw/zinc/53/87/73/588538773.db2.gz OURBYOISLGAUGO-NSCUHMNNSA-N 0 1 241.718 1.992 20 10 BDCDMN CCN1CC[C@H](N(C)Cc2ccccc2O)C1=O ZINC000851841494 588634275 /nfs/dbraw/zinc/63/42/75/588634275.db2.gz UBISZYARWFDVJO-LBPRGKRZSA-N 0 1 248.326 1.445 20 10 BDCDMN [O-]c1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873218193 589998512 /nfs/dbraw/zinc/99/85/12/589998512.db2.gz ZDVOCKOQLMUTKM-PHIMTYICSA-N 0 1 236.290 1.468 20 10 BDCDMN Cc1cccc(O)c1CNCc1ccn(C)n1 ZINC000877125350 590290103 /nfs/dbraw/zinc/29/01/03/590290103.db2.gz LBQIKCYZHLBGFF-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN Oc1c(CN2CC(F)C2)ccc(F)c1F ZINC000877308756 590310439 /nfs/dbraw/zinc/31/04/39/590310439.db2.gz YSYYYRLBWRAUMQ-UHFFFAOYSA-N 0 1 217.190 1.824 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000083406651 598130735 /nfs/dbraw/zinc/13/07/35/598130735.db2.gz BWPCQJHBWTYUQV-ZETCQYMHSA-N 0 1 243.690 1.951 20 10 BDCDMN C[C@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1[O-] ZINC000925869668 635578417 /nfs/dbraw/zinc/57/84/17/635578417.db2.gz OHVAIEVVLWOQAY-CBAPKCEASA-N 0 1 242.706 1.600 20 10 BDCDMN COc1ccc(O)c(CNCc2ccno2)c1 ZINC000231881955 641212434 /nfs/dbraw/zinc/21/24/34/641212434.db2.gz ISKQXZKMIJHMBJ-UHFFFAOYSA-N 0 1 234.255 1.679 20 10 BDCDMN CCOc1cccc(CNCc2cc[nH]n2)c1O ZINC000041014157 641539518 /nfs/dbraw/zinc/53/95/18/641539518.db2.gz VRJWEWMVJYYAPB-UHFFFAOYSA-N 0 1 247.298 1.804 20 10 BDCDMN CN(C)C(=O)CNCc1ccc2c(c1)CCCO2 ZINC000921488574 642625697 /nfs/dbraw/zinc/62/56/97/642625697.db2.gz AIQLEKWYCPPCTM-UHFFFAOYSA-N 0 1 248.326 1.189 20 10 BDCDMN CN(C)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1 ZINC000160304926 643440438 /nfs/dbraw/zinc/44/04/38/643440438.db2.gz ZXVDSCCMKHVKGG-CYBMUJFWSA-N 0 1 247.342 1.202 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]CCCO)cc1Cl ZINC000825050212 645060815 /nfs/dbraw/zinc/06/08/15/645060815.db2.gz PGOLUYHENLPMAB-UHFFFAOYSA-N 0 1 229.707 1.826 20 10 BDCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCOC1 ZINC000703489204 712077585 /nfs/dbraw/zinc/07/75/85/712077585.db2.gz FBWFJXAHXVHPMC-VIFPVBQESA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1nnc(CN[C@@H](C)c2ccccc2O)[nH]1 ZINC000392465483 711149345 /nfs/dbraw/zinc/14/93/45/711149345.db2.gz RWYOJCNCOPTDNG-QMMMGPOBSA-N 0 1 232.287 1.670 20 10 BDCDMN CCN(CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037271993 712565035 /nfs/dbraw/zinc/56/50/35/712565035.db2.gz IRXSLDSGVBCBSS-UHFFFAOYSA-N 0 1 235.331 1.573 20 10 BDCDMN Cc1cc(CNC(=O)c2cccc(O)c2O)n[nH]1 ZINC000716820281 712576878 /nfs/dbraw/zinc/57/68/78/712576878.db2.gz SPBLMJZGQOAULZ-UHFFFAOYSA-N 0 1 247.254 1.059 20 10 BDCDMN CC[C@@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001251780791 968314716 /nfs/dbraw/zinc/31/47/16/968314716.db2.gz XTIBIFRTLOFJHZ-GFCCVEGCSA-N 0 1 223.316 1.985 20 10 BDCDMN COCC[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233331743 978564241 /nfs/dbraw/zinc/56/42/41/978564241.db2.gz JFWWZKXEUQBFEH-UHFFFAOYSA-N 0 1 231.242 1.749 20 10 BDCDMN Cc1cccc(O)c1CN1CCOC[C@H]1C ZINC001237482103 979908680 /nfs/dbraw/zinc/90/86/80/979908680.db2.gz JMPBFNBAPBPXBP-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN C[N@H+](CC(=O)[O-])Cc1c(O)ccc(Cl)c1F ZINC001593721254 983345900 /nfs/dbraw/zinc/34/59/00/983345900.db2.gz BAPWUGADYADPFM-UHFFFAOYSA-N 0 1 247.653 1.701 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1c(O)ccc(Cl)c1F ZINC001593721254 983345906 /nfs/dbraw/zinc/34/59/06/983345906.db2.gz BAPWUGADYADPFM-UHFFFAOYSA-N 0 1 247.653 1.701 20 10 BDCDMN O=C1NCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000693868208 959459284 /nfs/dbraw/zinc/45/92/84/959459284.db2.gz AEIJWHDNPREZTN-VIFPVBQESA-N 0 1 240.690 1.024 20 10 BDCDMN Oc1ccc(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001141158179 960896180 /nfs/dbraw/zinc/89/61/80/960896180.db2.gz VNHFRSNHZQQDBW-KPXOXKRLSA-N 0 1 237.274 1.888 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001236169137 966284800 /nfs/dbraw/zinc/28/48/00/966284800.db2.gz AVWJYVXOLWSHCG-QMMMGPOBSA-N 0 1 228.242 1.203 20 10 BDCDMN C[C@@H]1CC[C@H](O)CN1Cc1ccc(O)c(O)c1 ZINC001203875733 966806158 /nfs/dbraw/zinc/80/61/58/966806158.db2.gz TWHZAOUQXYHMDI-KOLCDFICSA-N 0 1 237.299 1.443 20 10 BDCDMN Oc1ccc(CN2CCC(O)CC2)cc1O ZINC001203874126 966806167 /nfs/dbraw/zinc/80/61/67/966806167.db2.gz PBLNOXNVLGLQLP-UHFFFAOYSA-N 0 1 223.272 1.055 20 10 BDCDMN COC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874089 966806757 /nfs/dbraw/zinc/80/67/57/966806757.db2.gz NPDMJZPUUSIAHH-UHFFFAOYSA-N 0 1 237.299 1.709 20 10 BDCDMN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(O)cc1O)C2 ZINC001204279634 966959610 /nfs/dbraw/zinc/95/96/10/966959610.db2.gz DDXABWXPYSTRNA-FZMZJTMJSA-N 0 1 249.310 1.851 20 10 BDCDMN COc1ccc(N2CC3(CN(C)C3)C2)c(OC)c1 ZINC001276993887 973901664 /nfs/dbraw/zinc/90/16/64/973901664.db2.gz HPMLASXIRLBQEW-UHFFFAOYSA-N 0 1 248.326 1.456 20 10 BDCDMN C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)[O-] ZINC001594240834 977578593 /nfs/dbraw/zinc/57/85/93/977578593.db2.gz GEPXAOQPVYAVBQ-YFKPBYRVSA-N 0 1 247.653 1.747 20 10 BDCDMN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(O)c1 ZINC001594358488 977631526 /nfs/dbraw/zinc/63/15/26/977631526.db2.gz BAXYBJZGEWQHFQ-GFCCVEGCSA-N 0 1 249.310 1.997 20 10 BDCDMN Oc1cc(CN2CCCC2)cc(O)c1O ZINC001233009056 978409990 /nfs/dbraw/zinc/40/99/90/978409990.db2.gz IXHKGTXIRQTAEE-UHFFFAOYSA-N 0 1 209.245 1.399 20 10 BDCDMN Oc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(O)c1O ZINC001233015801 978414407 /nfs/dbraw/zinc/41/44/07/978414407.db2.gz BIDQPLLRNGWREG-WCBMZHEXSA-N 0 1 235.283 1.788 20 10 BDCDMN O=C1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC001233073605 978458855 /nfs/dbraw/zinc/45/88/55/978458855.db2.gz AKZVLJLVUHTSDC-UHFFFAOYSA-N 0 1 241.237 1.835 20 10 BDCDMN Oc1c(CN2CCO[C@@H]3C[C@@H]32)ccc(F)c1F ZINC001233078713 978463064 /nfs/dbraw/zinc/46/30/64/978463064.db2.gz GMTYXNZSSWNTOC-VHSXEESVSA-N 0 1 241.237 1.644 20 10 BDCDMN Oc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c(O)c1 ZINC001204276578 978929149 /nfs/dbraw/zinc/92/91/49/978929149.db2.gz NLFPWVPNWYLCEO-YGRLFVJLSA-N 0 1 249.310 1.709 20 10 BDCDMN C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@@H](C)[NH2+]1 ZINC001236575136 979641693 /nfs/dbraw/zinc/64/16/93/979641693.db2.gz DWEMQPVOVPMZLT-NXEZZACHSA-N 0 1 238.306 1.714 20 10 BDCDMN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC(CO)C1 ZINC001237799273 980047169 /nfs/dbraw/zinc/04/71/69/980047169.db2.gz QPEBEKCVYINHOS-UHFFFAOYSA-N 0 1 245.681 1.609 20 10 BDCDMN Cn1ccc(-c2ccc3cncn3c2)cc1=O ZINC001240985791 982068546 /nfs/dbraw/zinc/06/85/46/982068546.db2.gz JYLNMBBQQXNJOW-UHFFFAOYSA-N 0 1 225.251 1.700 20 10 BDCDMN CO[C@@H](C)C1CN(Cc2ccc(O)c(O)c2)C1 ZINC001203881570 982581245 /nfs/dbraw/zinc/58/12/45/982581245.db2.gz QTYMGDSQDILWOL-VIFPVBQESA-N 0 1 237.299 1.565 20 10 BDCDMN [O-]c1cccc(F)c1CN[C@@H]1CCC[NH2+]C1 ZINC001574440553 984112492 /nfs/dbraw/zinc/11/24/92/984112492.db2.gz XDOIBUYKMXSZEP-SECBINFHSA-N 0 1 224.279 1.373 20 10 BDCDMN Cc1ccc(CN2CC3(CCN3C)C2)c(O)c1 ZINC001276169829 984824223 /nfs/dbraw/zinc/82/42/23/984824223.db2.gz XIXSDZWILFHDAI-UHFFFAOYSA-N 0 1 232.327 1.591 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)C[C@H]1O ZINC001139683217 987399697 /nfs/dbraw/zinc/39/96/97/987399697.db2.gz CEDDWXAFTKRLKC-WRWORJQWSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(=O)[O-] ZINC001594206712 987830144 /nfs/dbraw/zinc/83/01/44/987830144.db2.gz RSIZOWJUIWHQTK-RXMQYKEDSA-N 0 1 231.198 1.233 20 10 BDCDMN C[N@@H+](Cc1ccccc1O)CC1(C(=O)[O-])CC1 ZINC001598530416 992771648 /nfs/dbraw/zinc/77/16/48/992771648.db2.gz FXTWHRNSCVAJDA-UHFFFAOYSA-N 0 1 235.283 1.689 20 10 BDCDMN Cc1ccc([C@@H](C)NCc2nncn2C)c(O)c1 ZINC000038007641 384053810 /nfs/dbraw/zinc/05/38/10/384053810.db2.gz GZDRMVLIADARNF-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN COC[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083748639 384796343 /nfs/dbraw/zinc/79/63/43/384796343.db2.gz MYASJQAGJQEQIP-MRVPVSSYSA-N 0 1 245.706 1.143 20 10 BDCDMN CCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866559 384900870 /nfs/dbraw/zinc/90/08/70/384900870.db2.gz MKTNPJJOGDWQBV-UHFFFAOYSA-N 0 1 238.306 1.976 20 10 BDCDMN O=C1OCC[C@@]12CCCN2Cc1ccccc1O ZINC000190030781 385206966 /nfs/dbraw/zinc/20/69/66/385206966.db2.gz WAKRXYMSUALBPC-AWEZNQCLSA-N 0 1 247.294 1.674 20 10 BDCDMN COC(=O)[C@@H]1CCCN1Cc1ccccc1O ZINC000179555432 385473749 /nfs/dbraw/zinc/47/37/49/385473749.db2.gz WEYDOZLTJBTVCL-NSHDSACASA-N 0 1 235.283 1.530 20 10 BDCDMN CC(=O)N1CCN(Cc2ccccc2O)[C@H](C)C1 ZINC000271468149 385831114 /nfs/dbraw/zinc/83/11/14/385831114.db2.gz YEUJYPYSUCPZEP-LLVKDONJSA-N 0 1 248.326 1.445 20 10 BDCDMN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1O ZINC000272038317 385869855 /nfs/dbraw/zinc/86/98/55/385869855.db2.gz ZRIADYVQSWNTBG-YPMHNXCESA-N 0 1 235.327 1.903 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000234901222 386114216 /nfs/dbraw/zinc/11/42/16/386114216.db2.gz LGLYVVPMWSYTRL-JTQLQIEISA-N 0 1 225.263 1.752 20 10 BDCDMN C[NH+](C)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000160235334 387071935 /nfs/dbraw/zinc/07/19/35/387071935.db2.gz KTYFXCKOGUAVIH-NSHDSACASA-N 0 1 238.306 1.667 20 10 BDCDMN CN1CCN(Cc2ccccc2O)C(C)(C)C1=O ZINC000179579658 173089507 /nfs/dbraw/zinc/08/95/07/173089507.db2.gz KVLXUHVASGVFIH-UHFFFAOYSA-N 0 1 248.326 1.445 20 10 BDCDMN COCCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000165417466 174219520 /nfs/dbraw/zinc/21/95/20/174219520.db2.gz VKZYXELBEFXTKA-UHFFFAOYSA-N 0 1 227.279 2.000 20 10 BDCDMN COc1ccc(CNCc2cnnn2C)cc1C ZINC000267530009 175108415 /nfs/dbraw/zinc/10/84/15/175108415.db2.gz RRNYVQYJGRHOLT-UHFFFAOYSA-N 0 1 246.314 1.422 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000897675628 584035242 /nfs/dbraw/zinc/03/52/42/584035242.db2.gz AXLIZIICRFTAPO-RDDDGLTNSA-N 0 1 243.253 1.483 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000897681469 584038933 /nfs/dbraw/zinc/03/89/33/584038933.db2.gz VRPWTDDILCOTIQ-GZMMTYOYSA-N 0 1 241.718 1.858 20 10 BDCDMN COc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897683790 584040657 /nfs/dbraw/zinc/04/06/57/584040657.db2.gz GXIMLUQHBPNXFB-GXSJLCMTSA-N 0 1 237.299 1.213 20 10 BDCDMN Cc1cccc(O)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898188125 584094233 /nfs/dbraw/zinc/09/42/33/584094233.db2.gz KGDUNVCQJLOXQC-DGCLKSJQSA-N 0 1 239.290 1.605 20 10 BDCDMN Oc1ccccc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898194188 584096434 /nfs/dbraw/zinc/09/64/34/584096434.db2.gz WAHARMHFQCRCCP-CMPLNLGQSA-N 0 1 225.263 1.297 20 10 BDCDMN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](C)N ZINC000841076980 584761553 /nfs/dbraw/zinc/76/15/53/584761553.db2.gz VSPHSJXLLRAZLE-JGVFFNPUSA-N 0 1 228.723 1.871 20 10 BDCDMN COc1cccc(O)c1CN(C)Cc1nnc[nH]1 ZINC000769461257 585557571 /nfs/dbraw/zinc/55/75/71/585557571.db2.gz TXAMBLQAYMRSCK-UHFFFAOYSA-N 0 1 248.286 1.151 20 10 BDCDMN Cc1cccc(CN(C)[C@H]2CCNC2=O)c1O ZINC000775743468 585683931 /nfs/dbraw/zinc/68/39/31/585683931.db2.gz HJNQWLAAMDLIKG-NSHDSACASA-N 0 1 234.299 1.021 20 10 BDCDMN Cc1cc(CNC2(C(N)=O)CC2)ccc1N(C)C ZINC000815087158 586665639 /nfs/dbraw/zinc/66/56/39/586665639.db2.gz CQOLWYWKOYGNCU-UHFFFAOYSA-N 0 1 247.342 1.169 20 10 BDCDMN C[N@@H+](CCF)Cc1cccc(F)c1[O-] ZINC000816640227 586747115 /nfs/dbraw/zinc/74/71/15/586747115.db2.gz ZLWJNOSRJBNRKH-UHFFFAOYSA-N 0 1 201.216 1.933 20 10 BDCDMN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1O ZINC000821111941 587096440 /nfs/dbraw/zinc/09/64/40/587096440.db2.gz CANWAXXWLMCYTK-LLVKDONJSA-N 0 1 235.283 1.607 20 10 BDCDMN O=C([O-])C[N@H+](Cc1ccccc1O)C1CCC1 ZINC000848640573 588403126 /nfs/dbraw/zinc/40/31/26/588403126.db2.gz SAYMWTACBJPQMU-UHFFFAOYSA-N 0 1 235.283 1.831 20 10 BDCDMN [O-]c1c(C[N@@H+]2CCC[C@H]2CO)ccc(F)c1F ZINC000876635834 590224008 /nfs/dbraw/zinc/22/40/08/590224008.db2.gz KBWXUPAJYJVPMC-VIFPVBQESA-N 0 1 243.253 1.627 20 10 BDCDMN C[C@H](O)CC[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876745497 590236465 /nfs/dbraw/zinc/23/64/65/590236465.db2.gz JKEIPVKFIPZQSF-QMMMGPOBSA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1cccc(O)c1CNCc1cn(C)nn1 ZINC000877194453 590299332 /nfs/dbraw/zinc/29/93/32/590299332.db2.gz MXVFNFIDWKVTKY-UHFFFAOYSA-N 0 1 232.287 1.119 20 10 BDCDMN Cc1ccc(CN2C[C@@H]3COC[C@H](C2)O3)c(O)c1 ZINC000877503632 590342800 /nfs/dbraw/zinc/34/28/00/590342800.db2.gz RSEGWJCNYFAELF-BETUJISGSA-N 0 1 249.310 1.300 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877527864 590349084 /nfs/dbraw/zinc/34/90/84/590349084.db2.gz WOCPWYUOJBOSML-SSDOTTSWSA-N 0 1 231.242 1.483 20 10 BDCDMN COc1cc(CNCc2ccc(C)cc2O)on1 ZINC000877635435 590381077 /nfs/dbraw/zinc/38/10/77/590381077.db2.gz QWVQNUAJSYQCMD-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCOC1 ZINC000127352334 590624745 /nfs/dbraw/zinc/62/47/45/590624745.db2.gz QMNATUYHAHDHJL-QMMMGPOBSA-N 0 1 227.691 1.924 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(Cl)ccc1O ZINC000127916769 590842066 /nfs/dbraw/zinc/84/20/66/590842066.db2.gz JTYSWXMWSCTKEG-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[N@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000127916769 590842070 /nfs/dbraw/zinc/84/20/70/590842070.db2.gz JTYSWXMWSCTKEG-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(Cl)ccc1[O-] ZINC000127916769 590842074 /nfs/dbraw/zinc/84/20/74/590842074.db2.gz JTYSWXMWSCTKEG-UHFFFAOYSA-N 0 1 215.680 1.470 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1[NH3+] ZINC000220189327 592287642 /nfs/dbraw/zinc/28/76/42/592287642.db2.gz VKQVLPSAKUBEOS-CABZTGNLSA-N 0 1 238.306 1.700 20 10 BDCDMN COc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000086756620 598182272 /nfs/dbraw/zinc/18/22/72/598182272.db2.gz LVJQJTGWTGVNPE-QMMMGPOBSA-N 0 1 239.271 1.306 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1O ZINC000235161425 598211275 /nfs/dbraw/zinc/21/12/75/598211275.db2.gz ITDJWMHZCPQLOA-SSDOTTSWSA-N 0 1 227.235 1.436 20 10 BDCDMN O=C([O-])[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000236433446 598211331 /nfs/dbraw/zinc/21/13/31/598211331.db2.gz DJBWHEYXYXCGFM-MRVPVSSYSA-N 0 1 239.246 1.438 20 10 BDCDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000083403825 604788195 /nfs/dbraw/zinc/78/81/95/604788195.db2.gz CJTGZOXTMMDJIV-SNVBAGLBSA-N 0 1 221.256 1.441 20 10 BDCDMN C[C@@H]([NH2+]CCCON)c1cc(Cl)ccc1[O-] ZINC000902426397 637304614 /nfs/dbraw/zinc/30/46/14/637304614.db2.gz SGAMIJFZOXBWOB-MRVPVSSYSA-N 0 1 244.722 1.977 20 10 BDCDMN C[C@@H](NCc1ccccc1O)c1nccn1C ZINC000164019872 640433623 /nfs/dbraw/zinc/43/36/23/640433623.db2.gz NBAZVIMCSYMVRB-SNVBAGLBSA-N 0 1 231.299 1.977 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC000083410920 643448393 /nfs/dbraw/zinc/44/83/93/643448393.db2.gz BZGIIDKHNCKRBB-UHFFFAOYSA-N 0 1 209.245 1.299 20 10 BDCDMN c1[nH]nnc1CNCc1ccc2c(c1)CCCO2 ZINC000922275176 643945572 /nfs/dbraw/zinc/94/55/72/643945572.db2.gz SWXTUNIFAQCOJP-UHFFFAOYSA-N 0 1 244.298 1.420 20 10 BDCDMN COc1ccc(CNC2(C(N)=O)CC2)cc1C ZINC000792174975 644794055 /nfs/dbraw/zinc/79/40/55/644794055.db2.gz KRGLTBPEKHGNBS-UHFFFAOYSA-N 0 1 234.299 1.111 20 10 BDCDMN COC1CN(Cc2c(C)cccc2O)C1 ZINC000877578483 645798849 /nfs/dbraw/zinc/79/88/49/645798849.db2.gz FZLDQIRSQIFUDD-UHFFFAOYSA-N 0 1 207.273 1.531 20 10 BDCDMN CC[C@H](NCc1cn(C)nn1)c1ccccc1O ZINC000389811601 711089249 /nfs/dbraw/zinc/08/92/49/711089249.db2.gz HPFKTJAQNDEHAY-LBPRGKRZSA-N 0 1 246.314 1.762 20 10 BDCDMN Cn1cc(CN[C@H]2CCc3cccc(O)c32)nn1 ZINC000389815587 711091528 /nfs/dbraw/zinc/09/15/28/711091528.db2.gz OSISAHSVDJQPMQ-NSHDSACASA-N 0 1 244.298 1.298 20 10 BDCDMN Cc1n[nH]cc1CNCc1ccc2c(c1)CCO2 ZINC000038011590 711481664 /nfs/dbraw/zinc/48/16/64/711481664.db2.gz UOPDBYRVKKASCP-UHFFFAOYSA-N 0 1 243.310 1.943 20 10 BDCDMN COc1ccc(CNCc2cnc(C)o2)c(O)c1 ZINC000397940673 711708223 /nfs/dbraw/zinc/70/82/23/711708223.db2.gz ZPCCBFFORBVJRB-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN Oc1ccccc1CN1CCO[C@@H](CCF)C1 ZINC000700591099 711999080 /nfs/dbraw/zinc/99/90/80/711999080.db2.gz PHHXCFROUCRMEX-LBPRGKRZSA-N 0 1 239.290 1.953 20 10 BDCDMN CCc1cccc(CNCc2cn(C)nn2)c1O ZINC000709428412 712221839 /nfs/dbraw/zinc/22/18/39/712221839.db2.gz AVBTZQMRSDISKU-UHFFFAOYSA-N 0 1 246.314 1.373 20 10 BDCDMN CO[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508978 964347847 /nfs/dbraw/zinc/34/78/47/964347847.db2.gz RKZHREFFMMPJAV-SECBINFHSA-N 0 1 243.253 1.891 20 10 BDCDMN CN1CC[C@H]([N@@H+](C)Cc2cccc(F)c2[O-])C1 ZINC000310487144 971973532 /nfs/dbraw/zinc/97/35/32/971973532.db2.gz GGDSNROVRBROFI-NSHDSACASA-N 0 1 238.306 1.667 20 10 BDCDMN CCOC(=O)C1CN(Cc2ccc(C)cc2O)C1 ZINC001140951030 960763151 /nfs/dbraw/zinc/76/31/51/960763151.db2.gz VEXZYLMBMQMVTP-UHFFFAOYSA-N 0 1 249.310 1.696 20 10 BDCDMN Oc1cccc2c1CN(Cc1cn[nH]c1)CC2 ZINC001203099830 960909580 /nfs/dbraw/zinc/90/95/80/960909580.db2.gz UQCNKQOIOXJVLU-UHFFFAOYSA-N 0 1 229.283 1.674 20 10 BDCDMN [NH3+]CC[C@@H](NCc1cccc(F)c1[O-])C(F)F ZINC000841074942 963672399 /nfs/dbraw/zinc/67/23/99/963672399.db2.gz SMVNTNFUERNBDU-SECBINFHSA-N 0 1 248.248 1.603 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1CO ZINC001142509013 964345120 /nfs/dbraw/zinc/34/51/20/964345120.db2.gz SYGBNECSUBPDDG-VIFPVBQESA-N 0 1 243.253 1.627 20 10 BDCDMN Nc1ccc(CNc2ncc3c(n2)CNC3)cc1 ZINC001162785909 965168356 /nfs/dbraw/zinc/16/83/56/965168356.db2.gz ORRVYPWAIPKLEE-UHFFFAOYSA-N 0 1 241.298 1.274 20 10 BDCDMN [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001236016397 966226878 /nfs/dbraw/zinc/22/68/78/966226878.db2.gz CCCQQTFAMMNMSI-BXKDBHETSA-N 0 1 222.263 1.064 20 10 BDCDMN CC1(C[NH3+])CN(Cc2cccc(F)c2[O-])C1 ZINC001206718197 966402807 /nfs/dbraw/zinc/40/28/07/966402807.db2.gz LLESGTUJXTYPJK-UHFFFAOYSA-N 0 1 224.279 1.312 20 10 BDCDMN C[C@H]([NH3+])CN(C)Cc1c([O-])ccc(F)c1Cl ZINC001236907531 966614507 /nfs/dbraw/zinc/61/45/07/966614507.db2.gz AQAAOWCICCELST-ZETCQYMHSA-N 0 1 246.713 1.964 20 10 BDCDMN O=C1CCN(Cc2ccccc2O)CC[C@@H]1F ZINC001203550232 966672457 /nfs/dbraw/zinc/67/24/57/966672457.db2.gz NGVWDMFLUGYASB-NSHDSACASA-N 0 1 237.274 1.895 20 10 BDCDMN Oc1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC001204274751 966953771 /nfs/dbraw/zinc/95/37/71/966953771.db2.gz IJILJGZBRASORZ-SECBINFHSA-N 0 1 211.236 1.642 20 10 BDCDMN Oc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001204277282 966958095 /nfs/dbraw/zinc/95/80/95/966958095.db2.gz XTJIICDBKLOEGN-ZMLRMANQSA-N 0 1 237.274 1.888 20 10 BDCDMN C[C@@H]1CN(Cc2c([O-])cccc2F)C[C@H]1[NH3+] ZINC001206058907 968030462 /nfs/dbraw/zinc/03/04/62/968030462.db2.gz XWBHWZBKJYLGJB-LDYMZIIASA-N 0 1 224.279 1.310 20 10 BDCDMN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC001119549077 969671634 /nfs/dbraw/zinc/67/16/34/969671634.db2.gz DWZKIAYTLMADQV-LURJTMIESA-N 0 1 245.225 1.481 20 10 BDCDMN Oc1cccc(Nc2ccncc2)c1O ZINC001173883169 975938938 /nfs/dbraw/zinc/93/89/38/975938938.db2.gz AYWJEVGVGBAJQL-UHFFFAOYSA-N 0 1 202.213 1.658 20 10 BDCDMN CC(=O)Nc1ccc(O)c(Nc2ccncc2)c1 ZINC001173885074 975986611 /nfs/dbraw/zinc/98/66/11/975986611.db2.gz HRELBWLCFNWPAF-UHFFFAOYSA-N 0 1 243.266 1.911 20 10 BDCDMN C[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC1CC1 ZINC001231446208 977591879 /nfs/dbraw/zinc/59/18/79/977591879.db2.gz FPWMDOJERBTRAH-UHFFFAOYSA-N 0 1 235.283 1.932 20 10 BDCDMN CCC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231446401 977592833 /nfs/dbraw/zinc/59/28/33/977592833.db2.gz ILCCCSKYNSPYBQ-UHFFFAOYSA-N 0 1 223.272 1.932 20 10 BDCDMN CC(C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231559936 977638050 /nfs/dbraw/zinc/63/80/50/977638050.db2.gz LFVBQYNIIMUJQT-UHFFFAOYSA-N 0 1 223.272 1.931 20 10 BDCDMN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001232838489 978308585 /nfs/dbraw/zinc/30/85/85/978308585.db2.gz GOKLJQCVTYPDLR-STQMWFEESA-N 0 1 248.326 1.431 20 10 BDCDMN CCN(CCOC)Cc1cc(O)c(O)c(O)c1 ZINC001233011128 978412977 /nfs/dbraw/zinc/41/29/77/978412977.db2.gz ZKTZIJVCFHELSB-UHFFFAOYSA-N 0 1 241.287 1.272 20 10 BDCDMN CC(=O)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233074362 978460145 /nfs/dbraw/zinc/46/01/45/978460145.db2.gz OGCCUXCGLJYBRH-UHFFFAOYSA-N 0 1 229.226 1.691 20 10 BDCDMN CC(=O)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233074362 978460155 /nfs/dbraw/zinc/46/01/55/978460155.db2.gz OGCCUXCGLJYBRH-UHFFFAOYSA-N 0 1 229.226 1.691 20 10 BDCDMN Oc1c(CN2CCC23COC3)ccc(F)c1F ZINC001233077721 978464962 /nfs/dbraw/zinc/46/49/62/978464962.db2.gz XYUCCAYRKNRILQ-UHFFFAOYSA-N 0 1 241.237 1.645 20 10 BDCDMN C[C@@H]1CCN(Cc2ccc(N)cc2)[C@H](C(N)=O)C1 ZINC001337838295 978519186 /nfs/dbraw/zinc/51/91/86/978519186.db2.gz NHWXLNKQJIZWLW-MFKMUULPSA-N 0 1 247.342 1.355 20 10 BDCDMN CC[N@@H+](CCO)Cc1cc(F)c(F)cc1[O-] ZINC001180430355 978877968 /nfs/dbraw/zinc/87/79/68/978877968.db2.gz LSYFKSXWDSYDNS-UHFFFAOYSA-N 0 1 231.242 1.485 20 10 BDCDMN [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001236025793 979322942 /nfs/dbraw/zinc/32/29/42/979322942.db2.gz HRRGZZIAKFQRGU-PRHODGIISA-N 0 1 240.253 1.203 20 10 BDCDMN COc1ccc(CN2CC(O)C2)c(O)c1Cl ZINC001236803443 979737827 /nfs/dbraw/zinc/73/78/27/979737827.db2.gz UILCBVRRQIWYLK-UHFFFAOYSA-N 0 1 243.690 1.231 20 10 BDCDMN CCN(Cc1nnc[nH]1)Cc1ccccc1O ZINC001237601333 979957819 /nfs/dbraw/zinc/95/78/19/979957819.db2.gz HDVYAFVINCFOTQ-UHFFFAOYSA-N 0 1 232.287 1.532 20 10 BDCDMN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001237946308 980115130 /nfs/dbraw/zinc/11/51/30/980115130.db2.gz IMNBYIXYJSKTBS-MRVPVSSYSA-N 0 1 245.681 1.751 20 10 BDCDMN Cn1ccc(-c2c[nH]cc3ncnc2-3)cc1=O ZINC001240985685 982068232 /nfs/dbraw/zinc/06/82/32/982068232.db2.gz GTRVVBLLSYZBDQ-UHFFFAOYSA-N 0 1 226.239 1.324 20 10 BDCDMN C[C@H]1CN(Cc2ccc(O)c(O)c2)CCCO1 ZINC001203875510 982557091 /nfs/dbraw/zinc/55/70/91/982557091.db2.gz OFESNGRCTPEIGB-JTQLQIEISA-N 0 1 237.299 1.709 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@]1(C)C(=O)[O-] ZINC001599929437 985280743 /nfs/dbraw/zinc/28/07/43/985280743.db2.gz SNANPRXLNZZNRV-HZMBPMFUSA-N 0 1 248.326 1.811 20 10 BDCDMN C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354489 986053350 /nfs/dbraw/zinc/05/33/50/986053350.db2.gz WPKGEVADLFQKRK-AOOOYVTPSA-N 0 1 236.290 1.420 20 10 BDCDMN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354489 986053367 /nfs/dbraw/zinc/05/33/67/986053367.db2.gz WPKGEVADLFQKRK-AOOOYVTPSA-N 0 1 236.290 1.420 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC001137831637 990853321 /nfs/dbraw/zinc/85/33/21/990853321.db2.gz IEOLTUUEAXXLRP-JTQLQIEISA-N 0 1 239.290 1.878 20 10 BDCDMN C[C@@]1(CO)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122650 990884613 /nfs/dbraw/zinc/88/46/13/990884613.db2.gz RVBNQTCEUCWINE-CYBMUJFWSA-N 0 1 239.290 1.736 20 10 BDCDMN CCN(CC)C(=O)CN(C)Cc1ccc(N)cc1 ZINC000035063927 990971450 /nfs/dbraw/zinc/97/14/50/990971450.db2.gz KBJLKEIQAYTXPP-UHFFFAOYSA-N 0 1 249.358 1.569 20 10 BDCDMN CC1(C[NH3+])CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001206730747 991179500 /nfs/dbraw/zinc/17/95/00/991179500.db2.gz YDCHWYIPHBYSLI-UHFFFAOYSA-N 0 1 242.269 1.451 20 10 BDCDMN C[N@@H+](Cc1ccc(N)cc1)C(C)(C)CC(=O)[O-] ZINC001598519464 992661345 /nfs/dbraw/zinc/66/13/45/992661345.db2.gz RLDKUYUBSJTHAT-UHFFFAOYSA-N 0 1 236.315 1.954 20 10 BDCDMN CN(Cc1ccnn1C)Cc1ccccc1O ZINC000091974539 398304238 /nfs/dbraw/zinc/30/42/38/398304238.db2.gz IBZHODYFWNFSFW-UHFFFAOYSA-N 0 1 231.299 1.758 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000092763759 343784964 /nfs/dbraw/zinc/78/49/64/343784964.db2.gz MYWIBLWJLDNDLA-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000092763759 343784967 /nfs/dbraw/zinc/78/49/67/343784967.db2.gz MYWIBLWJLDNDLA-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000128082804 343787453 /nfs/dbraw/zinc/78/74/53/343787453.db2.gz WVHGSLIFJYTGIM-SNVBAGLBSA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000128082804 343787455 /nfs/dbraw/zinc/78/74/55/343787455.db2.gz WVHGSLIFJYTGIM-SNVBAGLBSA-N 0 1 227.691 1.612 20 10 BDCDMN Cc1cccc(CN(C)[C@@H]2CCN(C)C2=O)c1O ZINC000271797276 179069511 /nfs/dbraw/zinc/06/95/11/179069511.db2.gz KFONHAUTTFENHS-GFCCVEGCSA-N 0 1 248.326 1.363 20 10 BDCDMN CCc1nnc(CN[C@H](C)c2ccccc2O)[nH]1 ZINC000274564204 364757747 /nfs/dbraw/zinc/75/77/47/364757747.db2.gz CYMVXTPQDCPPBF-SECBINFHSA-N 0 1 246.314 1.924 20 10 BDCDMN C[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000078780793 384464665 /nfs/dbraw/zinc/46/46/65/384464665.db2.gz HFOMDRBSDDPXMV-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN CN(Cc1ccccc1O)CC1OCCO1 ZINC000182652257 385691086 /nfs/dbraw/zinc/69/10/86/385691086.db2.gz VJWIFPMAMJFONX-UHFFFAOYSA-N 0 1 223.272 1.197 20 10 BDCDMN C[C@H](CCO)[NH2+]Cc1c([O-])cccc1Cl ZINC000096811525 385987233 /nfs/dbraw/zinc/98/72/33/385987233.db2.gz XVGYUIATYKSJEB-MRVPVSSYSA-N 0 1 229.707 1.906 20 10 BDCDMN CC[C@H](CO)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000295077178 385960224 /nfs/dbraw/zinc/96/02/24/385960224.db2.gz HVYBNMZOQZZHBE-SNVBAGLBSA-N 0 1 227.279 1.734 20 10 BDCDMN C[C@@H](CO)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000289394797 386296594 /nfs/dbraw/zinc/29/65/94/386296594.db2.gz FNMMVDJSSVRNAC-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000289394797 386296600 /nfs/dbraw/zinc/29/66/00/386296600.db2.gz FNMMVDJSSVRNAC-QMMMGPOBSA-N 0 1 229.707 1.858 20 10 BDCDMN CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278289206 386506943 /nfs/dbraw/zinc/50/69/43/386506943.db2.gz UTHJQZYISQDZLS-UHFFFAOYSA-N 0 1 240.259 1.761 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C ZINC000299548731 386464369 /nfs/dbraw/zinc/46/43/69/386464369.db2.gz QFVFSXDECYYDOV-GFCCVEGCSA-N 0 1 248.326 1.445 20 10 BDCDMN CC[C@@H]1CN(Cc2ccc(N)cc2)CCO1 ZINC000036768910 171089240 /nfs/dbraw/zinc/08/92/40/171089240.db2.gz VZONBBVSMGMCRC-CYBMUJFWSA-N 0 1 220.316 1.880 20 10 BDCDMN COc1cccc(CNCc2cc[nH]n2)c1O ZINC000041014160 175265454 /nfs/dbraw/zinc/26/54/54/175265454.db2.gz OGVKDAGKYNJMSX-UHFFFAOYSA-N 0 1 233.271 1.414 20 10 BDCDMN COc1cccc(CNCc2ccn(C)n2)c1O ZINC000020352691 175265852 /nfs/dbraw/zinc/26/58/52/175265852.db2.gz QRNQPFMABUIEJR-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN C[C@@H](NCc1nccn1C)c1ccccc1O ZINC000071273074 175908629 /nfs/dbraw/zinc/90/86/29/175908629.db2.gz YYPMOROQHVKZLN-SNVBAGLBSA-N 0 1 231.299 1.977 20 10 BDCDMN C[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000132475224 177266339 /nfs/dbraw/zinc/26/63/39/177266339.db2.gz BYDJSZQDXJOBQO-JTQLQIEISA-N 0 1 207.273 1.613 20 10 BDCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894539843 583480393 /nfs/dbraw/zinc/48/03/93/583480393.db2.gz XKDLVCKCFOPKHH-XCBNKYQSSA-N 0 1 243.253 1.626 20 10 BDCDMN COC1CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894970882 583561337 /nfs/dbraw/zinc/56/13/37/583561337.db2.gz ONHCZYQUZVSXQZ-UHFFFAOYSA-N 0 1 229.226 1.501 20 10 BDCDMN Cc1ccc(O)c(CNCc2ccn(C)n2)c1 ZINC000213179911 583649963 /nfs/dbraw/zinc/64/99/63/583649963.db2.gz LSOGRFUPJVPSNA-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895654426 583701093 /nfs/dbraw/zinc/70/10/93/583701093.db2.gz RICHJUHYBKLTMB-CABZTGNLSA-N 0 1 239.702 1.612 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000897681470 584039195 /nfs/dbraw/zinc/03/91/95/584039195.db2.gz VRPWTDDILCOTIQ-KCJUWKMLSA-N 0 1 241.718 1.858 20 10 BDCDMN Cc1cccc(CN2CC[C@@H](O)[C@H](F)C2)c1O ZINC000898187313 584093901 /nfs/dbraw/zinc/09/39/01/584093901.db2.gz JIEZVDVICFGOMV-VXGBXAGGSA-N 0 1 239.290 1.605 20 10 BDCDMN Oc1ccccc1CN1CC[C@@H](O)[C@H](F)C1 ZINC000898194191 584096084 /nfs/dbraw/zinc/09/60/84/584096084.db2.gz WAHARMHFQCRCCP-ZYHUDNBSSA-N 0 1 225.263 1.297 20 10 BDCDMN Cc1ccc(O)c(CN2CC[C@H](O)[C@@H](F)C2)c1 ZINC000898194250 584096266 /nfs/dbraw/zinc/09/62/66/584096266.db2.gz WSJKCZPCVUTXHF-AAEUAGOBSA-N 0 1 239.290 1.605 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CNOC1 ZINC000904427250 584881735 /nfs/dbraw/zinc/88/17/35/584881735.db2.gz TWRLZGDACZGZJF-VIFPVBQESA-N 0 1 228.679 1.039 20 10 BDCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000003748008 585091458 /nfs/dbraw/zinc/09/14/58/585091458.db2.gz OABUZGQTMZSWTB-ZDUSSCGKSA-N 0 1 248.326 1.802 20 10 BDCDMN CC(C)[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000820015459 587012656 /nfs/dbraw/zinc/01/26/56/587012656.db2.gz UUMVPWKXIGOHBZ-UHFFFAOYSA-N 0 1 241.262 1.826 20 10 BDCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000820015459 587012658 /nfs/dbraw/zinc/01/26/58/587012658.db2.gz UUMVPWKXIGOHBZ-UHFFFAOYSA-N 0 1 241.262 1.826 20 10 BDCDMN Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000820968209 587084891 /nfs/dbraw/zinc/08/48/91/587084891.db2.gz UPVVCIXYMOAEKU-NSHDSACASA-N 0 1 249.310 1.916 20 10 BDCDMN Oc1ccccc1CN1CCc2n[nH]nc2C1 ZINC000827884417 587407775 /nfs/dbraw/zinc/40/77/75/587407775.db2.gz BFNGPFKKPUNUFV-UHFFFAOYSA-N 0 1 230.271 1.069 20 10 BDCDMN Cc1cc(C[N@@H+](C)CC(=O)[O-])ccc1N(C)C ZINC000846262947 588263186 /nfs/dbraw/zinc/26/31/86/588263186.db2.gz OOXHTKBLKBALIC-UHFFFAOYSA-N 0 1 236.315 1.577 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]C/C=C\CO)c(Cl)c1 ZINC000850357594 588538861 /nfs/dbraw/zinc/53/88/61/588538861.db2.gz OURBYOISLGAUGO-IHWYPQMZSA-N 0 1 241.718 1.992 20 10 BDCDMN Cc1ccc(CN(C)Cc2nnc[nH]2)c(O)c1 ZINC000876750356 590237873 /nfs/dbraw/zinc/23/78/73/590237873.db2.gz VPUDTWROMXKCJT-UHFFFAOYSA-N 0 1 232.287 1.451 20 10 BDCDMN CC[C@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877074783 590278184 /nfs/dbraw/zinc/27/81/84/590278184.db2.gz SGZGGMVSSCYVGI-GFCCVEGCSA-N 0 1 235.331 1.572 20 10 BDCDMN CN(C(=O)[C@@H]1CCCCN1C)c1ccc(N)cc1 ZINC000877077049 590278679 /nfs/dbraw/zinc/27/86/79/590278679.db2.gz UYPHPKZAUVDJCY-ZDUSSCGKSA-N 0 1 247.342 1.716 20 10 BDCDMN COC[C@@H]1CC[N@H+]1Cc1c(C)cccc1O ZINC000877551204 590355534 /nfs/dbraw/zinc/35/55/34/590355534.db2.gz XQJCXNHHCOHFQO-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877571644 590363371 /nfs/dbraw/zinc/36/33/71/590363371.db2.gz GVEKZHUNZSNSAJ-GMSGAONNSA-N 0 1 243.253 1.626 20 10 BDCDMN CN(Cc1cnccn1)Cc1ccccc1O ZINC000179564377 642725341 /nfs/dbraw/zinc/72/53/41/642725341.db2.gz ZUFGQMMPSULOMC-UHFFFAOYSA-N 0 1 229.283 1.814 20 10 BDCDMN CN(C)c1ccc(CN(C)Cc2nnc[nH]2)cc1 ZINC000179789877 642746913 /nfs/dbraw/zinc/74/69/13/642746913.db2.gz VKHNICFTEGIUBY-UHFFFAOYSA-N 0 1 245.330 1.503 20 10 BDCDMN CS(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000170265989 711836439 /nfs/dbraw/zinc/83/64/39/711836439.db2.gz WYKCPHLGGPYDPE-UHFFFAOYSA-N 0 1 239.655 1.556 20 10 BDCDMN COC(=O)[C@H](C)NCc1cc(F)cc(F)c1O ZINC000708482644 712180802 /nfs/dbraw/zinc/18/08/02/712180802.db2.gz XUTZCTCZIAIAJQ-LURJTMIESA-N 0 1 245.225 1.322 20 10 BDCDMN Cn1cc(CN[C@@H]2CCc3cccc(O)c32)nn1 ZINC000389815584 711091004 /nfs/dbraw/zinc/09/10/04/711091004.db2.gz OSISAHSVDJQPMQ-LLVKDONJSA-N 0 1 244.298 1.298 20 10 BDCDMN COc1ccc(O)c(CNCc2cnc(C)o2)c1 ZINC000397911609 711396341 /nfs/dbraw/zinc/39/63/41/711396341.db2.gz HZPFKMZJFILILB-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN Oc1ccccc1CN[C@@H]1CCn2ccnc21 ZINC000393962924 711680745 /nfs/dbraw/zinc/68/07/45/711680745.db2.gz VKUCRYNSWZQDPP-LLVKDONJSA-N 0 1 229.283 1.823 20 10 BDCDMN COc1cc(CNCc2ccccc2O)on1 ZINC000705592308 712132247 /nfs/dbraw/zinc/13/22/47/712132247.db2.gz KVXNKFHPTKADLY-UHFFFAOYSA-N 0 1 234.255 1.679 20 10 BDCDMN CSCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233015716 978411568 /nfs/dbraw/zinc/41/15/68/978411568.db2.gz YNNUKNDDGFZNIP-UHFFFAOYSA-N 0 1 243.328 1.598 20 10 BDCDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C)cc1O ZINC001605442983 979875441 /nfs/dbraw/zinc/87/54/41/979875441.db2.gz KHLFAHURTSMZQH-UHFFFAOYSA-N 0 1 237.299 1.997 20 10 BDCDMN CCC[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1O ZINC000233005732 949795123 /nfs/dbraw/zinc/79/51/23/949795123.db2.gz DXOLHMFXZDIBJN-UHFFFAOYSA-N 0 1 241.262 1.828 20 10 BDCDMN COc1ccc(O)c(CN2CC[C@@H](F)C2)c1 ZINC000689856383 959347524 /nfs/dbraw/zinc/34/75/24/959347524.db2.gz AEYFNEPMXMHSET-SNVBAGLBSA-N 0 1 225.263 1.945 20 10 BDCDMN Cc1c(O)ccc(CN(C)C2(C)COC2)c1O ZINC001140748830 960549693 /nfs/dbraw/zinc/54/96/93/960549693.db2.gz LKDJXCKTAMOPFX-UHFFFAOYSA-N 0 1 237.299 1.627 20 10 BDCDMN Oc1ccc(O)c(CN2CC3(CC(O)C3)C2)c1 ZINC001141155628 960891455 /nfs/dbraw/zinc/89/14/55/960891455.db2.gz BXZXOZMBYSLETM-UHFFFAOYSA-N 0 1 235.283 1.055 20 10 BDCDMN CCN(Cc1cc(O)ccc1O)C1CN(C)C1 ZINC001141162217 960900064 /nfs/dbraw/zinc/90/00/64/960900064.db2.gz MZRNSYSRBINQMK-UHFFFAOYSA-N 0 1 236.315 1.234 20 10 BDCDMN C[NH+](C)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509109 964343470 /nfs/dbraw/zinc/34/34/70/964343470.db2.gz XCIVOLQGAGCPFW-UHFFFAOYSA-N 0 1 242.269 1.416 20 10 BDCDMN C[C@]1(O)CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508995 964346745 /nfs/dbraw/zinc/34/67/45/964346745.db2.gz SCDVGMYQZVBSQI-LBPRGKRZSA-N 0 1 243.253 1.627 20 10 BDCDMN C[C@@H]1COCCN1Cc1c(O)cc(O)cc1O ZINC001144500316 972848622 /nfs/dbraw/zinc/84/86/22/972848622.db2.gz RZRZPVTTZZNCKY-MRVPVSSYSA-N 0 1 239.271 1.024 20 10 BDCDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1O)CC1CC1 ZINC001231561956 977637200 /nfs/dbraw/zinc/63/72/00/977637200.db2.gz XXMATEUPVUYOBR-UHFFFAOYSA-N 0 1 235.283 1.932 20 10 BDCDMN Cc1cccc(CN2C[C@H]3C[C@@H](C2)O3)c1O ZINC001231592116 977639655 /nfs/dbraw/zinc/63/96/55/977639655.db2.gz BXCXAFJSFQCADZ-TXEJJXNPSA-N 0 1 219.284 1.674 20 10 BDCDMN C[C@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233009788 978408499 /nfs/dbraw/zinc/40/84/99/978408499.db2.gz ATHUMYVVSDXSRI-QMMMGPOBSA-N 0 1 223.272 1.788 20 10 BDCDMN [NH3+][C@]12C[C@H]1CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001236023114 979316488 /nfs/dbraw/zinc/31/64/88/979316488.db2.gz GBSQLCYQVALBCB-MADCSZMMSA-N 0 1 240.253 1.203 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001236175291 979436545 /nfs/dbraw/zinc/43/65/45/979436545.db2.gz ZWUDJAYNSMIRST-SSDOTTSWSA-N 0 1 244.697 1.718 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(F)c(Cl)cc1[O-] ZINC001236255419 979477363 /nfs/dbraw/zinc/47/73/63/979477363.db2.gz DPMHZAHIQBJAIO-UHFFFAOYSA-N 0 1 233.670 1.609 20 10 BDCDMN COC(=O)[C@H]1CCCN1Cc1c(C)cccc1O ZINC001237485799 979911352 /nfs/dbraw/zinc/91/13/52/979911352.db2.gz SYZLDKAPHQALTR-GFCCVEGCSA-N 0 1 249.310 1.838 20 10 BDCDMN C[C@H]1C[C@@H](O)CCN1Cc1ccc(O)c(O)c1 ZINC001203882549 982584354 /nfs/dbraw/zinc/58/43/54/982584354.db2.gz KWCSZQZJMSGRMZ-ONGXEEELSA-N 0 1 237.299 1.443 20 10 BDCDMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)cccc1O ZINC001595855216 982783734 /nfs/dbraw/zinc/78/37/34/982783734.db2.gz HJWGDKJWGIAVIE-UHFFFAOYSA-N 0 1 237.299 1.997 20 10 BDCDMN CN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1 ZINC001242018789 983220234 /nfs/dbraw/zinc/22/02/34/983220234.db2.gz VTEWFUOFNIYNCI-UHFFFAOYSA-N 0 1 242.326 1.829 20 10 BDCDMN [O-]c1cc(Br)ccc1C[NH2+]CCO ZINC000691394046 984312684 /nfs/dbraw/zinc/31/26/84/984312684.db2.gz YZOFBLNWCFUQJM-UHFFFAOYSA-N 0 1 246.104 1.237 20 10 BDCDMN CN(CCC[NH+](C)C)Cc1c([O-])cccc1F ZINC001137831717 990853883 /nfs/dbraw/zinc/85/38/83/990853883.db2.gz KXGNOJCJHWYDCJ-UHFFFAOYSA-N 0 1 240.322 1.915 20 10 BDCDMN C[NH+](C)C1CN(Cc2c([O-])cccc2F)C1 ZINC001137831493 990854070 /nfs/dbraw/zinc/85/40/70/990854070.db2.gz BSEHWUVDJQYAGZ-UHFFFAOYSA-N 0 1 224.279 1.277 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001137831507 990854079 /nfs/dbraw/zinc/85/40/79/990854079.db2.gz CAHWFUCTTCCTKP-ZYHUDNBSSA-N 0 1 243.253 1.436 20 10 BDCDMN C[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137832032 990857516 /nfs/dbraw/zinc/85/75/16/990857516.db2.gz XSSRPPDPOSNTSE-CYBMUJFWSA-N 0 1 239.290 1.736 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001139684939 991309780 /nfs/dbraw/zinc/30/97/80/991309780.db2.gz RVGUAABDNJHUIO-MRVPVSSYSA-N 0 1 243.253 1.485 20 10 BDCDMN C[C@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1[O-] ZINC001576857236 993438945 /nfs/dbraw/zinc/43/89/45/993438945.db2.gz ZVCBLQZLGSMRDF-QMMMGPOBSA-N 0 1 242.269 1.464 20 10 BDCDMN C[C@@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1[O-] ZINC001576857234 993439233 /nfs/dbraw/zinc/43/92/33/993439233.db2.gz ZVCBLQZLGSMRDF-MRVPVSSYSA-N 0 1 242.269 1.464 20 10 BDCDMN CN1CCCN(Cc2ccccc2O)CC1=O ZINC000191663320 357782222 /nfs/dbraw/zinc/78/22/22/357782222.db2.gz ZLUFWCZWZDSSEX-UHFFFAOYSA-N 0 1 234.299 1.056 20 10 BDCDMN CN1CC(=O)N[C@@H]1c1cccc(Cl)c1O ZINC000298795156 383991017 /nfs/dbraw/zinc/99/10/17/383991017.db2.gz SKBPOJWCLGDARE-JTQLQIEISA-N 0 1 226.663 1.106 20 10 BDCDMN Cc1ccc(O)c([C@@H](C)NCc2nncn2C)c1 ZINC000038007767 384053607 /nfs/dbraw/zinc/05/36/07/384053607.db2.gz NYOSPHVHQNXIFO-SNVBAGLBSA-N 0 1 246.314 1.680 20 10 BDCDMN Cc1ccc(O)c(CN2C[C@H](F)C[C@H]2CO)c1 ZINC000372653889 387318635 /nfs/dbraw/zinc/31/86/35/387318635.db2.gz ZBMKFUGLBDBWAY-NEPJUHHUSA-N 0 1 239.290 1.605 20 10 BDCDMN C[C@@H](O)C[N@H+](C)Cc1c([O-])cccc1Cl ZINC000291119791 398089939 /nfs/dbraw/zinc/08/99/39/398089939.db2.gz UTUQNQQEQUKVDO-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000291119791 398089942 /nfs/dbraw/zinc/08/99/42/398089942.db2.gz UTUQNQQEQUKVDO-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN CN(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000037225378 172370551 /nfs/dbraw/zinc/37/05/51/172370551.db2.gz SQELQUVBBVQMMQ-UHFFFAOYSA-N 0 1 242.706 1.223 20 10 BDCDMN CN1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000299580192 173024451 /nfs/dbraw/zinc/02/44/51/173024451.db2.gz SXNOQNAHWCFXDX-LLVKDONJSA-N 0 1 234.299 1.103 20 10 BDCDMN CN(Cc1ccccc1O)[C@@H]1CCN(C)C1=O ZINC000116279495 173119909 /nfs/dbraw/zinc/11/99/09/173119909.db2.gz MMVAICGUUJDYGE-LLVKDONJSA-N 0 1 234.299 1.055 20 10 BDCDMN COc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000211543973 175261367 /nfs/dbraw/zinc/26/13/67/175261367.db2.gz ZDJSDVBZXBWVKG-TXEJJXNPSA-N 0 1 249.310 1.764 20 10 BDCDMN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)[O-] ZINC001331981051 974903146 /nfs/dbraw/zinc/90/31/46/974903146.db2.gz ANBZVYGKDDBTPF-VIFPVBQESA-N 0 1 245.225 1.623 20 10 BDCDMN O=C1OCC[C@@H]1NCc1cccc(Cl)c1O ZINC000895801061 583730767 /nfs/dbraw/zinc/73/07/67/583730767.db2.gz FGTIMICJQZDCBQ-VIFPVBQESA-N 0 1 241.674 1.451 20 10 BDCDMN Cc1cccc(O)c1CN1CC[C@H](O)[C@@H](F)C1 ZINC000898188124 584094305 /nfs/dbraw/zinc/09/43/05/584094305.db2.gz KGDUNVCQJLOXQC-AAEUAGOBSA-N 0 1 239.290 1.605 20 10 BDCDMN CN(C)c1ccc(CN(C)Cc2c[nH]nn2)cc1 ZINC000734749068 584967848 /nfs/dbraw/zinc/96/78/48/584967848.db2.gz HWLNWXYWHYJZDO-UHFFFAOYSA-N 0 1 245.330 1.503 20 10 BDCDMN COCC1(C)CN(Cc2cc(F)ccc2O)C1 ZINC000839144488 585092138 /nfs/dbraw/zinc/09/21/38/585092138.db2.gz WTSQERFQCUFOCH-UHFFFAOYSA-N 0 1 239.290 2.000 20 10 BDCDMN COc1cccc(O)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000768141392 585532786 /nfs/dbraw/zinc/53/27/86/585532786.db2.gz ZSUNBYHWTVMPIE-SNVBAGLBSA-N 0 1 237.299 1.358 20 10 BDCDMN Cc1cccc(CN2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000802657685 586308825 /nfs/dbraw/zinc/30/88/25/586308825.db2.gz NNBKDLAUKCROMC-BETUJISGSA-N 0 1 249.310 1.300 20 10 BDCDMN C[C@H](N)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972906 586858688 /nfs/dbraw/zinc/85/86/88/586858688.db2.gz PJHRPWAXMIJZCF-YUMQZZPRSA-N 0 1 239.275 1.298 20 10 BDCDMN C[C@H](NC(=O)[C@H](C)N(C)C)c1ccccc1O ZINC000827959822 587413687 /nfs/dbraw/zinc/41/36/87/587413687.db2.gz GBWPHFONBHPXLS-UWVGGRQHSA-N 0 1 236.315 1.520 20 10 BDCDMN CN1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244124 587652186 /nfs/dbraw/zinc/65/21/86/587652186.db2.gz LFXGPATUEFHMLQ-GFCCVEGCSA-N 0 1 233.315 1.692 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)[NH2+]1 ZINC000843048943 588077287 /nfs/dbraw/zinc/07/72/87/588077287.db2.gz BGZBMWVXYXRMAW-AOOOYVTPSA-N 0 1 238.306 1.714 20 10 BDCDMN C[C@H]1CN(Cc2cccc(F)c2[O-])[C@@H](C)C[NH2+]1 ZINC000843120083 588083920 /nfs/dbraw/zinc/08/39/20/588083920.db2.gz VJHDWKKQDMBRSF-UWVGGRQHSA-N 0 1 238.306 1.714 20 10 BDCDMN COc1cccc([C@H](C)NCc2cc[nH]n2)c1O ZINC000846148162 588258824 /nfs/dbraw/zinc/25/88/24/588258824.db2.gz XUFGKJLBMGEZGO-VIFPVBQESA-N 0 1 247.298 1.975 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000850418017 588544944 /nfs/dbraw/zinc/54/49/44/588544944.db2.gz VOUVYSOOZJOUCD-KYZUINATSA-N 0 1 241.718 1.967 20 10 BDCDMN Cc1cccc(CNCc2ccn(C)n2)c1O ZINC000124865149 590095106 /nfs/dbraw/zinc/09/51/06/590095106.db2.gz LRFLUWIFZKJJPI-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000876746758 590236844 /nfs/dbraw/zinc/23/68/44/590236844.db2.gz VYASDDOZUUDIRU-LBPRGKRZSA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1ccc(CNCc2ccn(C)n2)c(O)c1 ZINC000877125280 590289875 /nfs/dbraw/zinc/28/98/75/590289875.db2.gz JNSFXSVPVOFUNW-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN C[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877527866 590348795 /nfs/dbraw/zinc/34/87/95/590348795.db2.gz WOCPWYUOJBOSML-ZETCQYMHSA-N 0 1 231.242 1.483 20 10 BDCDMN Cc1cccc(O)c1CN1CCO[C@H](CF)C1 ZINC000877588033 590369429 /nfs/dbraw/zinc/36/94/29/590369429.db2.gz VDGGKMYDDRRWPZ-LLVKDONJSA-N 0 1 239.290 1.871 20 10 BDCDMN CCn1ccnc1CNCc1ccccc1O ZINC000134294522 591912491 /nfs/dbraw/zinc/91/24/91/591912491.db2.gz QQQKZSYWYHZEQA-UHFFFAOYSA-N 0 1 231.299 1.898 20 10 BDCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC000083405497 604787948 /nfs/dbraw/zinc/78/79/48/604787948.db2.gz WICQKUHYXZXSII-UHFFFAOYSA-N 0 1 223.272 1.687 20 10 BDCDMN CCCN(CC(N)=O)Cc1cc(F)ccc1O ZINC000310446747 632741748 /nfs/dbraw/zinc/74/17/48/632741748.db2.gz UOJDMLJFYCYGNX-UHFFFAOYSA-N 0 1 240.278 1.229 20 10 BDCDMN CNC(=O)CC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000044988376 640479827 /nfs/dbraw/zinc/47/98/27/640479827.db2.gz YSRFYTAKVHNAIP-UHFFFAOYSA-N 0 1 242.706 1.271 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000033465780 642165344 /nfs/dbraw/zinc/16/53/44/642165344.db2.gz MRYTWNLOWWENHE-UHFFFAOYSA-N 0 1 236.315 1.659 20 10 BDCDMN Oc1ccccc1CNCc1ncc[nH]1 ZINC000067667708 643081895 /nfs/dbraw/zinc/08/18/95/643081895.db2.gz CVEIAPQOHZKWAM-UHFFFAOYSA-N 0 1 203.245 1.405 20 10 BDCDMN CN(C)c1ccc(CN2CCC[C@H]2C(N)=O)cc1 ZINC000160305067 643441962 /nfs/dbraw/zinc/44/19/62/643441962.db2.gz ZXVDSCCMKHVKGG-ZDUSSCGKSA-N 0 1 247.342 1.202 20 10 BDCDMN Cc1ccc(O)c([C@H](C)NCc2cn(C)nn2)c1 ZINC000389800321 711089424 /nfs/dbraw/zinc/08/94/24/711089424.db2.gz AFJZHCIBQHNUHQ-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN O=C([O-])CC1([NH2+]Cc2cccc(F)c2O)CC1 ZINC001601936341 978869699 /nfs/dbraw/zinc/86/96/99/978869699.db2.gz UQCCYYKSKLGRPM-UHFFFAOYSA-N 0 1 239.246 1.628 20 10 BDCDMN COC(=O)CN(C)Cc1c(O)cc(F)cc1F ZINC001140584194 960444635 /nfs/dbraw/zinc/44/46/35/960444635.db2.gz HVDUPOMZNOJBSR-UHFFFAOYSA-N 0 1 245.225 1.275 20 10 BDCDMN CCOC(=O)C1CN(Cc2cc(C)ccc2O)C1 ZINC001140620902 960464277 /nfs/dbraw/zinc/46/42/77/960464277.db2.gz FZQGTONNJTUHBD-UHFFFAOYSA-N 0 1 249.310 1.696 20 10 BDCDMN CO[C@@H]1CN(Cc2ccc(C)cc2O)C[C@@H]1F ZINC001140947848 960747022 /nfs/dbraw/zinc/74/70/22/960747022.db2.gz IIMXCEOSTLEVGD-WCQYABFASA-N 0 1 239.290 1.869 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685605 961245887 /nfs/dbraw/zinc/24/58/87/961245887.db2.gz PPMJYTYOSPLDBQ-QMMMGPOBSA-N 0 1 243.253 1.891 20 10 BDCDMN C[C@@]1([NH3+])CCN(Cc2cccc(F)c2[O-])C1 ZINC001204772095 963414928 /nfs/dbraw/zinc/41/49/28/963414928.db2.gz UFTVDHJZLBJFFJ-GFCCVEGCSA-N 0 1 224.279 1.454 20 10 BDCDMN [NH3+]CC[C@H](NCc1cccc(F)c1[O-])C(F)F ZINC000841074943 963671412 /nfs/dbraw/zinc/67/14/12/963671412.db2.gz SMVNTNFUERNBDU-VIFPVBQESA-N 0 1 248.248 1.603 20 10 BDCDMN COc1cc([O-])c(C[N@H+](C)CCO)c(Cl)c1 ZINC001236255330 966322569 /nfs/dbraw/zinc/32/25/69/966322569.db2.gz CKXFKXNCTZKKFG-UHFFFAOYSA-N 0 1 245.706 1.478 20 10 BDCDMN COc1cc([O-])c(C[N@@H+](C)CCO)c(Cl)c1 ZINC001236255330 966322586 /nfs/dbraw/zinc/32/25/86/966322586.db2.gz CKXFKXNCTZKKFG-UHFFFAOYSA-N 0 1 245.706 1.478 20 10 BDCDMN COc1cc(O)c(CN(C)CCO)c(Cl)c1 ZINC001236255330 966322597 /nfs/dbraw/zinc/32/25/97/966322597.db2.gz CKXFKXNCTZKKFG-UHFFFAOYSA-N 0 1 245.706 1.478 20 10 BDCDMN Oc1ccccc1CN1CCOC2(CC2)C1 ZINC001203560844 966689629 /nfs/dbraw/zinc/68/96/29/966689629.db2.gz HQKYJCURQCAKCZ-UHFFFAOYSA-N 0 1 219.284 1.757 20 10 BDCDMN Oc1ccc(CN2CC3(C2)CCOCC3)cc1O ZINC001203878447 966804673 /nfs/dbraw/zinc/80/46/73/966804673.db2.gz GUZJWQNDHCSRDX-UHFFFAOYSA-N 0 1 249.310 1.710 20 10 BDCDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(O)cc1O ZINC001204276988 966959286 /nfs/dbraw/zinc/95/92/86/966959286.db2.gz VBPBDDXWCZFBBS-KOLCDFICSA-N 0 1 237.299 1.301 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CCCOCC1 ZINC001137831579 967820447 /nfs/dbraw/zinc/82/04/47/967820447.db2.gz GCQUBVOLIDMYDI-UHFFFAOYSA-N 0 1 225.263 1.754 20 10 BDCDMN Oc1ccc(Nc2ccncc2)c(O)c1 ZINC001173882840 975947128 /nfs/dbraw/zinc/94/71/28/975947128.db2.gz XAZKXMBSOQHCKY-UHFFFAOYSA-N 0 1 202.213 1.658 20 10 BDCDMN Nc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC001334775364 976644745 /nfs/dbraw/zinc/64/47/45/976644745.db2.gz XVJVUDHESUKMJI-CQSZACIVSA-N 0 1 232.327 1.880 20 10 BDCDMN C[C@@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231446844 977590327 /nfs/dbraw/zinc/59/03/27/977590327.db2.gz LPWFPTAYWADFNY-MRVPVSSYSA-N 0 1 221.256 1.685 20 10 BDCDMN O=C([O-])c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001231453436 977597765 /nfs/dbraw/zinc/59/77/65/977597765.db2.gz GVMWCSKTASXCLK-PWSUYJOCSA-N 0 1 249.266 1.064 20 10 BDCDMN O=C([O-])c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC001231453436 977597775 /nfs/dbraw/zinc/59/77/75/977597775.db2.gz GVMWCSKTASXCLK-PWSUYJOCSA-N 0 1 249.266 1.064 20 10 BDCDMN C[N@@H+](CCF)Cc1cc(C(=O)[O-])ccc1O ZINC001231567404 977633664 /nfs/dbraw/zinc/63/36/64/977633664.db2.gz FNZLUWSMEQCXSP-UHFFFAOYSA-N 0 1 227.235 1.492 20 10 BDCDMN Oc1ccc2ccccc2c1CN1CC(O)C1 ZINC001231588924 977635475 /nfs/dbraw/zinc/63/54/75/977635475.db2.gz ZIASSDLFIFYULR-UHFFFAOYSA-N 0 1 229.279 1.722 20 10 BDCDMN Cc1cc(C)c(CN2CC(O)C2)c(O)c1 ZINC001231841258 977757107 /nfs/dbraw/zinc/75/71/07/977757107.db2.gz ABQKFACMXWHZEI-UHFFFAOYSA-N 0 1 207.273 1.186 20 10 BDCDMN CC[N@H+](Cc1ccc(F)c(F)c1[O-])C1COC1 ZINC001233078396 978462337 /nfs/dbraw/zinc/46/23/37/978462337.db2.gz UPHMMFGTWMYCAC-UHFFFAOYSA-N 0 1 243.253 1.891 20 10 BDCDMN CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C1COC1 ZINC001233078396 978462342 /nfs/dbraw/zinc/46/23/42/978462342.db2.gz UPHMMFGTWMYCAC-UHFFFAOYSA-N 0 1 243.253 1.891 20 10 BDCDMN Cc1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1O ZINC001600531309 978701789 /nfs/dbraw/zinc/70/17/89/978701789.db2.gz MOPYHCMIIOSMTG-SNVBAGLBSA-N 0 1 237.299 1.853 20 10 BDCDMN Nc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001601215538 978796811 /nfs/dbraw/zinc/79/68/11/978796811.db2.gz CYEGFRZTFAVBEV-SNVBAGLBSA-N 0 1 220.272 1.175 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCCO1 ZINC001203875511 982558399 /nfs/dbraw/zinc/55/83/99/982558399.db2.gz OFESNGRCTPEIGB-SNVBAGLBSA-N 0 1 237.299 1.709 20 10 BDCDMN O=C(c1cnc[nH]1)N1Cc2cccc(O)c2C1 ZINC001455037417 985055160 /nfs/dbraw/zinc/05/51/60/985055160.db2.gz QXUMGAMUMBLJPG-UHFFFAOYSA-N 0 1 229.239 1.271 20 10 BDCDMN O=C([O-])[C@@H](CF)[NH2+]Cc1cc(F)cc(F)c1O ZINC001601650294 988886461 /nfs/dbraw/zinc/88/64/61/988886461.db2.gz OVYOEGFIFVJGLK-MRVPVSSYSA-N 0 1 249.188 1.183 20 10 BDCDMN CC(C)(C[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC001590763796 990568471 /nfs/dbraw/zinc/56/84/71/990568471.db2.gz YJSMWFFEXAADTF-UHFFFAOYSA-N 0 1 241.262 1.732 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CO ZINC001138122526 990883867 /nfs/dbraw/zinc/88/38/67/990883867.db2.gz LAJRMMSDSXDMQT-LLVKDONJSA-N 0 1 239.290 1.878 20 10 BDCDMN Oc1cccc2c1CN(Cc1ccncn1)CC2 ZINC001140350723 991626069 /nfs/dbraw/zinc/62/60/69/991626069.db2.gz PLFFXNHVSURFDB-UHFFFAOYSA-N 0 1 241.294 1.741 20 10 BDCDMN C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000035602967 343299786 /nfs/dbraw/zinc/29/97/86/343299786.db2.gz MJGUYZISENODNV-ZETCQYMHSA-N 0 1 215.680 1.516 20 10 BDCDMN Cc1cccc(CN(C)CC(=O)N(C)C)c1O ZINC000124517413 179064025 /nfs/dbraw/zinc/06/40/25/179064025.db2.gz HZENKSQVNCXNFF-UHFFFAOYSA-N 0 1 236.315 1.221 20 10 BDCDMN Cc1cccc(CN2CCCN(C)C(=O)C2)c1O ZINC000191661170 357782016 /nfs/dbraw/zinc/78/20/16/357782016.db2.gz AGVVGVPTWLRRSG-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN Cn1nccc1CNCc1ccc2c(c1)CCO2 ZINC000070141506 384081487 /nfs/dbraw/zinc/08/14/87/384081487.db2.gz YLIKUDCGKMIXFZ-UHFFFAOYSA-N 0 1 243.310 1.645 20 10 BDCDMN Cc1ccc(O)c(CN[C@@H](C)c2nncn2C)c1 ZINC000071407591 384165746 /nfs/dbraw/zinc/16/57/46/384165746.db2.gz WOEUHNSRBRVAGE-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN Cc1ccc(O)c(CN2CCO[C@@H](C)C2)c1 ZINC000132474354 384230722 /nfs/dbraw/zinc/23/07/22/384230722.db2.gz IBXBRVKJTCOOEO-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000083414709 384301654 /nfs/dbraw/zinc/30/16/54/384301654.db2.gz CULVRXMFQQFEOZ-JTQLQIEISA-N 0 1 223.272 1.687 20 10 BDCDMN CC[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@@H]1O ZINC000272236629 385885739 /nfs/dbraw/zinc/88/57/39/385885739.db2.gz ACBQUIQOPLKFSW-SKDRFNHKSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272563939 385912220 /nfs/dbraw/zinc/91/22/20/385912220.db2.gz UPMMXWOCEMFTKH-NXEZZACHSA-N 0 1 239.290 1.734 20 10 BDCDMN COc1c([O-])c(C[NH2+]CCF)ccc1[N+](=O)[O-] ZINC000280665628 386834253 /nfs/dbraw/zinc/83/42/53/386834253.db2.gz LNWHMSKQGLLESW-UHFFFAOYSA-N 0 1 244.222 1.368 20 10 BDCDMN CCNC(=O)CN(CC)Cc1ccccc1O ZINC000133614385 170057475 /nfs/dbraw/zinc/05/74/75/170057475.db2.gz PFUYACNEXGUTTK-UHFFFAOYSA-N 0 1 236.315 1.350 20 10 BDCDMN CNC(=O)[C@H](C)[NH2+]Cc1c([O-])cccc1Cl ZINC000083552081 173302710 /nfs/dbraw/zinc/30/27/10/173302710.db2.gz MJQYGDDJNGYQEV-ZETCQYMHSA-N 0 1 242.706 1.270 20 10 BDCDMN COc1ccc(O)c(CN(C)Cc2nnc[nH]2)c1 ZINC000180324781 175157986 /nfs/dbraw/zinc/15/79/86/175157986.db2.gz ODJYMBJVPILCKH-UHFFFAOYSA-N 0 1 248.286 1.151 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000893985817 583269098 /nfs/dbraw/zinc/26/90/98/583269098.db2.gz HOWZSQBZHDVHRB-QMMMGPOBSA-N 0 1 243.253 1.485 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@@H]1COCO1 ZINC000894873981 583540839 /nfs/dbraw/zinc/54/08/39/583540839.db2.gz UQAZLSUMFZIKIP-MRVPVSSYSA-N 0 1 243.690 1.508 20 10 BDCDMN CCOC1CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894970895 583561389 /nfs/dbraw/zinc/56/13/89/583561389.db2.gz OYVUUMPSCXAYBI-UHFFFAOYSA-N 0 1 243.253 1.891 20 10 BDCDMN COc1cc(C)cc(CNC2(C)COC2)c1O ZINC000895443440 583674217 /nfs/dbraw/zinc/67/42/17/583674217.db2.gz JSMFSNBOXSLDGG-UHFFFAOYSA-N 0 1 237.299 1.588 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1O ZINC000897675629 584035471 /nfs/dbraw/zinc/03/54/71/584035471.db2.gz AXLIZIICRFTAPO-WRWORJQWSA-N 0 1 243.253 1.483 20 10 BDCDMN Cc1cccc(O)c1CN1CC[C@H](O)[C@H](F)C1 ZINC000898188127 584094493 /nfs/dbraw/zinc/09/44/93/584094493.db2.gz KGDUNVCQJLOXQC-YPMHNXCESA-N 0 1 239.290 1.605 20 10 BDCDMN c1cc2c(cc1CN[C@H]1CNOC1)CCCO2 ZINC000904424189 584881248 /nfs/dbraw/zinc/88/12/48/584881248.db2.gz PGBOZFVMIURNEL-LBPRGKRZSA-N 0 1 234.299 1.005 20 10 BDCDMN Cc1ncc(C(=O)N(C)Cc2ccccc2O)[nH]1 ZINC000731871554 584930208 /nfs/dbraw/zinc/93/02/08/584930208.db2.gz IHTRWZGWISLTPB-UHFFFAOYSA-N 0 1 245.282 1.696 20 10 BDCDMN Cc1cc(CC(=O)NCc2ccccc2O)[nH]n1 ZINC000755768363 585306437 /nfs/dbraw/zinc/30/64/37/585306437.db2.gz MGXVYUJDNANWIY-UHFFFAOYSA-N 0 1 245.282 1.283 20 10 BDCDMN CC[NH+](CC)CCOC(=O)c1cc([O-])cs1 ZINC000772113088 585608689 /nfs/dbraw/zinc/60/86/89/585608689.db2.gz HGXCZVHNYKLEEM-UHFFFAOYSA-N 0 1 243.328 1.952 20 10 BDCDMN OCCC[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000779021726 585744333 /nfs/dbraw/zinc/74/43/33/585744333.db2.gz YGJLRBZXJHPASQ-UHFFFAOYSA-N 0 1 239.290 1.878 20 10 BDCDMN NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806559842 586414510 /nfs/dbraw/zinc/41/45/10/586414510.db2.gz GNILCWNUFNGACN-UHFFFAOYSA-N 0 1 235.070 1.867 20 10 BDCDMN CC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1O ZINC000816660764 586752593 /nfs/dbraw/zinc/75/25/93/586752593.db2.gz OMPUITCXWNTFCO-CYBMUJFWSA-N 0 1 234.343 1.918 20 10 BDCDMN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2O)C1 ZINC000817412728 586801905 /nfs/dbraw/zinc/80/19/05/586801905.db2.gz ONBBIHFUUTWYID-NEPJUHHUSA-N 0 1 235.327 1.843 20 10 BDCDMN C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945071 586845817 /nfs/dbraw/zinc/84/58/17/586845817.db2.gz SPMLADFWIXWHQA-SCZZXKLOSA-N 0 1 224.279 1.544 20 10 BDCDMN Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000818849336 586914287 /nfs/dbraw/zinc/91/42/87/586914287.db2.gz VYCYASDKZAHDOB-LLVKDONJSA-N 0 1 249.310 1.916 20 10 BDCDMN COc1cccc(O)c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000820870937 587078454 /nfs/dbraw/zinc/07/84/54/587078454.db2.gz JIXCSWWFPLQPFI-QMMMGPOBSA-N 0 1 239.271 1.306 20 10 BDCDMN Cc1cc(C)c(O)c(C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000820967999 587085075 /nfs/dbraw/zinc/08/50/75/587085075.db2.gz CJJXBSMSQBGEDA-SNVBAGLBSA-N 0 1 237.299 1.914 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2)cc1Cl ZINC000827832632 587404660 /nfs/dbraw/zinc/40/46/60/587404660.db2.gz QKGZMLNXEKKTOD-MGCOHNPYSA-N 0 1 241.718 1.967 20 10 BDCDMN C[C@H](NC(=O)[C@H]1CCCN1C)c1ccccc1O ZINC000827977947 587414505 /nfs/dbraw/zinc/41/45/05/587414505.db2.gz DARVTNUONIKZOJ-CMPLNLGQSA-N 0 1 248.326 1.664 20 10 BDCDMN C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843057228 588077898 /nfs/dbraw/zinc/07/78/98/588077898.db2.gz GXSVQLWCTJRGIF-VHSXEESVSA-N 0 1 238.306 1.714 20 10 BDCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1O ZINC000844933867 588219633 /nfs/dbraw/zinc/21/96/33/588219633.db2.gz ISVGNZWFGIJSQH-MWLCHTKSSA-N 0 1 235.283 1.830 20 10 BDCDMN CCc1cccc(CN2CCCNC(=O)C2)c1O ZINC000848883303 588417294 /nfs/dbraw/zinc/41/72/94/588417294.db2.gz LWAIEMWNTKEGTQ-UHFFFAOYSA-N 0 1 248.326 1.277 20 10 BDCDMN NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797460 588593341 /nfs/dbraw/zinc/59/33/41/588593341.db2.gz RGCKAQKDIIHDEY-UHFFFAOYSA-N 0 1 248.326 1.622 20 10 BDCDMN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1[O-] ZINC000863547801 589298398 /nfs/dbraw/zinc/29/83/98/589298398.db2.gz ZQQKIENLKOAHPA-HOTUBEGUSA-N 0 1 238.306 1.932 20 10 BDCDMN C[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000876525895 590208336 /nfs/dbraw/zinc/20/83/36/590208336.db2.gz PVTOQOSBDBEMND-UHFFFAOYSA-N 0 1 217.215 1.095 20 10 BDCDMN Cc1ccc(CN2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000876566920 590217140 /nfs/dbraw/zinc/21/71/40/590217140.db2.gz XHIWDFKWFWBTIJ-UHFFFAOYSA-N 0 1 246.354 1.981 20 10 BDCDMN CN(C(=O)[C@H]1CCCC[N@H+]1C)c1ccc(N)cc1 ZINC000877077803 590279048 /nfs/dbraw/zinc/27/90/48/590279048.db2.gz UYPHPKZAUVDJCY-CYBMUJFWSA-N 0 1 247.342 1.716 20 10 BDCDMN CN(C(=O)[C@H]1CCCCN1C)c1ccc(N)cc1 ZINC000877077803 590279050 /nfs/dbraw/zinc/27/90/50/590279050.db2.gz UYPHPKZAUVDJCY-CYBMUJFWSA-N 0 1 247.342 1.716 20 10 BDCDMN Cc1ccc(CNCc2ccno2)c(O)c1 ZINC000877322423 590317297 /nfs/dbraw/zinc/31/72/97/590317297.db2.gz GKSFLQTYWUEUHM-UHFFFAOYSA-N 0 1 218.256 1.978 20 10 BDCDMN COc1cc(CNCc2cccc(C)c2O)on1 ZINC000877635326 590381030 /nfs/dbraw/zinc/38/10/30/590381030.db2.gz MNBZXRDNHVQJRA-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN COc1cccc(CNC2(C)COC2)c1O ZINC000877690564 590393345 /nfs/dbraw/zinc/39/33/45/590393345.db2.gz ARBDLGGMIGVAEL-UHFFFAOYSA-N 0 1 223.272 1.279 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(O)cccc1Cl ZINC000128815890 591164836 /nfs/dbraw/zinc/16/48/36/591164836.db2.gz GLKBRMHMDGBSRV-ZETCQYMHSA-N 0 1 243.690 1.951 20 10 BDCDMN CCN(CC(=O)NC)Cc1cc(C)ccc1O ZINC000132612908 591724813 /nfs/dbraw/zinc/72/48/13/591724813.db2.gz SHDUDEIXEFUSNV-UHFFFAOYSA-N 0 1 236.315 1.269 20 10 BDCDMN COc1cccc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1O ZINC000086756462 598131801 /nfs/dbraw/zinc/13/18/01/598131801.db2.gz ZIABDUVRLVYGDJ-MRVPVSSYSA-N 0 1 239.271 1.306 20 10 BDCDMN C[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000096811788 635538770 /nfs/dbraw/zinc/53/87/70/635538770.db2.gz YJLFBGHWSUBCNF-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2ccccc2O)[C@H]1CO ZINC000249148792 635689341 /nfs/dbraw/zinc/68/93/41/635689341.db2.gz ZVPANAHJGCLZTH-JQWIXIFHSA-N 0 1 221.300 1.595 20 10 BDCDMN CCC[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893895549 635639115 /nfs/dbraw/zinc/63/91/15/635639115.db2.gz OPUGLXLSIIULGG-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN COc1ccc(CNCc2nccn2C)c(O)c1 ZINC000071140806 643102845 /nfs/dbraw/zinc/10/28/45/643102845.db2.gz WTZNCMJTKRFNPC-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN O=C([O-])C[N@H+](Cc1ccccc1O)C1CC1 ZINC000083406072 643446999 /nfs/dbraw/zinc/44/69/99/643446999.db2.gz VMKZLSSXSHGYRQ-UHFFFAOYSA-N 0 1 221.256 1.441 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)CCF ZINC000846097263 645404738 /nfs/dbraw/zinc/40/47/38/645404738.db2.gz PACUQUPJQJIXLJ-JTQLQIEISA-N 0 1 247.697 1.856 20 10 BDCDMN C[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000382223900 711615458 /nfs/dbraw/zinc/61/54/58/711615458.db2.gz WQUYTRQHIJXFEP-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN C[N@@H+](CCC(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000382223900 711615460 /nfs/dbraw/zinc/61/54/60/711615460.db2.gz WQUYTRQHIJXFEP-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN CC[S@](C)(=O)=NC(=O)c1cccc(O)c1O ZINC000395788107 711697287 /nfs/dbraw/zinc/69/72/87/711697287.db2.gz ROXMUZKKBMHONQ-INIZCTEOSA-N 0 1 243.284 1.356 20 10 BDCDMN COCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708401495 711957138 /nfs/dbraw/zinc/95/71/38/711957138.db2.gz UGDCDEMMGAGRAE-UHFFFAOYSA-N 0 1 231.242 1.749 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720962872 712883344 /nfs/dbraw/zinc/88/33/44/712883344.db2.gz NARDPSAOOKWXQY-DTORHVGOSA-N 0 1 241.718 1.906 20 10 BDCDMN CCN(Cc1cc(C)ccc1O)C1COC1 ZINC001140623327 960465925 /nfs/dbraw/zinc/46/59/25/960465925.db2.gz NMWLEHJEDXGTCB-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)ccc1O ZINC000083411056 957825812 /nfs/dbraw/zinc/82/58/12/957825812.db2.gz CFCXIMABRYBPIV-UHFFFAOYSA-N 0 1 223.272 1.607 20 10 BDCDMN Cn1cncc1Nc1cccc(O)c1O ZINC001211250208 958114053 /nfs/dbraw/zinc/11/40/53/958114053.db2.gz ISOGEVTXFVKGIH-UHFFFAOYSA-N 0 1 205.217 1.575 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092942041 958214606 /nfs/dbraw/zinc/21/46/06/958214606.db2.gz XHSUJZLWULQOQJ-JQWIXIFHSA-N 0 1 249.310 1.996 20 10 BDCDMN C[C@]1([NH3+])CCN(Cc2cccc(F)c2[O-])C1 ZINC001204772096 963414397 /nfs/dbraw/zinc/41/43/97/963414397.db2.gz UFTVDHJZLBJFFJ-LBPRGKRZSA-N 0 1 224.279 1.454 20 10 BDCDMN C[C@@]1([NH3+])CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001204783568 963547329 /nfs/dbraw/zinc/54/73/29/963547329.db2.gz UDBDRDWJIPQAJH-GFCCVEGCSA-N 0 1 242.269 1.594 20 10 BDCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142508992 964345963 /nfs/dbraw/zinc/34/59/63/964345963.db2.gz SCCOWNDSTJFFEH-APPZFPTMSA-N 0 1 243.253 1.626 20 10 BDCDMN [NH3+][C@]12C[C@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001236016407 966229776 /nfs/dbraw/zinc/22/97/76/966229776.db2.gz CCCQQTFAMMNMSI-CABZTGNLSA-N 0 1 222.263 1.064 20 10 BDCDMN COc1cccc(CN2CCCC23COC3)c1O ZINC001203595972 966700606 /nfs/dbraw/zinc/70/06/06/966700606.db2.gz VSJRHSCWOKCKLM-UHFFFAOYSA-N 0 1 249.310 1.766 20 10 BDCDMN COc1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001203621013 966711305 /nfs/dbraw/zinc/71/13/05/966711305.db2.gz NNDJWKPYORAXGO-UHFFFAOYSA-N 0 1 237.299 1.215 20 10 BDCDMN Cn1cc2c(n1)CCN(Cc1ccccc1O)C2 ZINC001203556068 966971171 /nfs/dbraw/zinc/97/11/71/966971171.db2.gz JDHMQCAIFXQMOI-UHFFFAOYSA-N 0 1 243.310 1.684 20 10 BDCDMN CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1 ZINC001169561785 969753498 /nfs/dbraw/zinc/75/34/98/969753498.db2.gz XXTQFVYGDZYOAB-ZDUSSCGKSA-N 0 1 248.326 1.445 20 10 BDCDMN COc1ccc(Nc2ccncc2OC)c(O)c1 ZINC001211263390 970212232 /nfs/dbraw/zinc/21/22/32/970212232.db2.gz OHRWLVPIUSTACD-UHFFFAOYSA-N 0 1 246.266 1.970 20 10 BDCDMN COC[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000234866041 973779684 /nfs/dbraw/zinc/77/96/84/973779684.db2.gz RMPGGICXDGBJRI-MRVPVSSYSA-N 0 1 245.706 1.143 20 10 BDCDMN C[C@H](CC(=O)[O-])[NH2+]Cc1cc(F)cc(F)c1O ZINC001332012840 974920220 /nfs/dbraw/zinc/92/02/20/974920220.db2.gz NABOTDZFQPSEMX-ZCFIWIBFSA-N 0 1 245.225 1.623 20 10 BDCDMN CC[C@H]([NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC001332339739 975061700 /nfs/dbraw/zinc/06/17/00/975061700.db2.gz PIEAEZZZZJGRSA-VIFPVBQESA-N 0 1 227.235 1.484 20 10 BDCDMN C[N@H+](Cc1ccc(F)c(F)c1[O-])CC1COC1 ZINC001233078105 978464482 /nfs/dbraw/zinc/46/44/82/978464482.db2.gz FRKSUPSBBHAOMM-UHFFFAOYSA-N 0 1 243.253 1.749 20 10 BDCDMN [NH3+][C@H]1C[C@H](F)CN(Cc2c([O-])cccc2F)C1 ZINC001206414997 978858204 /nfs/dbraw/zinc/85/82/04/978858204.db2.gz SWTWEFLENPIPQN-IUCAKERBSA-N 0 1 242.269 1.402 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)cc2O)C[C@H](C)O1 ZINC001204272061 978897694 /nfs/dbraw/zinc/89/76/94/978897694.db2.gz JBPYCJZCPNLTFH-AOOOYVTPSA-N 0 1 237.299 1.707 20 10 BDCDMN CCc1ccc(CN(C)CC(C)=O)c(O)c1 ZINC001236783729 979728452 /nfs/dbraw/zinc/72/84/52/979728452.db2.gz OPTRWMWYVWEIAB-UHFFFAOYSA-N 0 1 221.300 1.975 20 10 BDCDMN CC[C@H]([NH3+])CN(C)Cc1c([O-])cccc1F ZINC001236864602 979767088 /nfs/dbraw/zinc/76/70/88/979767088.db2.gz CKNCZDPYDBPEOP-VIFPVBQESA-N 0 1 226.295 1.700 20 10 BDCDMN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(O)c1 ZINC001605273265 979848487 /nfs/dbraw/zinc/84/84/87/979848487.db2.gz STUFFWKZVKMMSM-AWEZNQCLSA-N 0 1 249.310 1.997 20 10 BDCDMN Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])c(O)c1 ZINC001607780375 980128929 /nfs/dbraw/zinc/12/89/29/980128929.db2.gz BJSSWTSRALGPAZ-NSHDSACASA-N 0 1 235.283 1.750 20 10 BDCDMN COCC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139684408 987398924 /nfs/dbraw/zinc/39/89/24/987398924.db2.gz IZQQNXJTNOQPPA-UHFFFAOYSA-N 0 1 231.242 1.749 20 10 BDCDMN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001137831638 990854370 /nfs/dbraw/zinc/85/43/70/990854370.db2.gz IEOLTUUEAXXLRP-SNVBAGLBSA-N 0 1 239.290 1.878 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001137832896 990856328 /nfs/dbraw/zinc/85/63/28/990856328.db2.gz LFYYKRWWMOBEJD-DGCLKSJQSA-N 0 1 237.274 1.895 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001137832716 990857161 /nfs/dbraw/zinc/85/71/61/990857161.db2.gz FFAOUVZFTQMODS-DTORHVGOSA-N 0 1 207.248 1.983 20 10 BDCDMN CC(=O)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129875 990887649 /nfs/dbraw/zinc/88/76/49/990887649.db2.gz XUDRZAZWQCBERQ-JTQLQIEISA-N 0 1 237.274 1.942 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]1CO ZINC001139680919 991314619 /nfs/dbraw/zinc/31/46/19/991314619.db2.gz FPBLGVPPBKLKOZ-QMMMGPOBSA-N 0 1 243.253 1.627 20 10 BDCDMN OCC1CN(Cc2c(O)cccc2Cl)C1 ZINC001140344381 991614248 /nfs/dbraw/zinc/61/42/48/991614248.db2.gz JAXMOMWCKFYQJZ-UHFFFAOYSA-N 0 1 227.691 1.470 20 10 BDCDMN Cc1ccc(O)c(CN2CCCN(C)C(=O)C2)c1 ZINC000191662882 357781903 /nfs/dbraw/zinc/78/19/03/357781903.db2.gz RUTWEORCJHRUCD-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000132748929 358734997 /nfs/dbraw/zinc/73/49/97/358734997.db2.gz KNNNDSALWOAYJN-TXEJJXNPSA-N 0 1 219.284 1.755 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+](CCO)C1CC1 ZINC000272211428 183069758 /nfs/dbraw/zinc/06/97/58/183069758.db2.gz AMFFZKQGBKQRDD-UHFFFAOYSA-N 0 1 225.263 1.488 20 10 BDCDMN CCCN(C)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273339 169065163 /nfs/dbraw/zinc/06/51/63/169065163.db2.gz IVJKVGQQFSXROI-UHFFFAOYSA-N 0 1 235.331 1.573 20 10 BDCDMN CC[N@@H+](CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000188466456 385056644 /nfs/dbraw/zinc/05/66/44/385056644.db2.gz BUCNDRWIEYPEQP-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN COC(=O)[C@@H](C)NCc1cccc(Cl)c1O ZINC000165157441 385072581 /nfs/dbraw/zinc/07/25/81/385072581.db2.gz DTIUVFSLGHXIRV-SSDOTTSWSA-N 0 1 243.690 1.697 20 10 BDCDMN CN(C)c1ccc(CN2CC[C@H](O)C2)cc1F ZINC000157651463 385513866 /nfs/dbraw/zinc/51/38/66/385513866.db2.gz JGLDZUNBJMBOIK-NSHDSACASA-N 0 1 238.306 1.458 20 10 BDCDMN C[N@@H+](CCC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000289913619 388364265 /nfs/dbraw/zinc/36/42/65/388364265.db2.gz XFINIYXYNQLLLW-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN COCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551261 174335091 /nfs/dbraw/zinc/33/50/91/174335091.db2.gz YTXAHIUBPHZLJJ-UHFFFAOYSA-N 0 1 215.680 1.782 20 10 BDCDMN C[C@@H]1COCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000369451657 176333295 /nfs/dbraw/zinc/33/32/95/176333295.db2.gz KUDIEIPZTADOFU-JTQLQIEISA-N 0 1 239.290 2.000 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000033465777 176583077 /nfs/dbraw/zinc/58/30/77/176583077.db2.gz HDFQIFXNSLHAMP-SNVBAGLBSA-N 0 1 236.315 1.658 20 10 BDCDMN C[C@@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083551130 491126424 /nfs/dbraw/zinc/12/64/24/491126424.db2.gz ONWIJCDMVUKNTL-SSDOTTSWSA-N 0 1 215.680 1.516 20 10 BDCDMN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894539842 583480962 /nfs/dbraw/zinc/48/09/62/583480962.db2.gz XKDLVCKCFOPKHH-OIBJUYFYSA-N 0 1 243.253 1.626 20 10 BDCDMN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894916309 583555799 /nfs/dbraw/zinc/55/57/99/583555799.db2.gz DTCBEIUXVCOTDT-RDDDGLTNSA-N 0 1 243.253 1.626 20 10 BDCDMN C[C@H](CCO)[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000895149179 583605530 /nfs/dbraw/zinc/60/55/30/583605530.db2.gz CTCLTFOBHHPOCP-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1cccc(CN2CCc3n[nH]cc3C2)c1O ZINC000857876522 588918763 /nfs/dbraw/zinc/91/87/63/588918763.db2.gz RVUIVOMHYZDULV-UHFFFAOYSA-N 0 1 243.310 1.982 20 10 BDCDMN Oc1cccc2c1CN(Cc1cnc[nH]1)C2 ZINC000895450463 583675762 /nfs/dbraw/zinc/67/57/62/583675762.db2.gz ZYVWUGFIXIYSRX-UHFFFAOYSA-N 0 1 215.256 1.631 20 10 BDCDMN CN(C)c1ccc(CNCc2c[nH]nn2)cc1F ZINC000858197715 588938390 /nfs/dbraw/zinc/93/83/90/588938390.db2.gz HCJCIYIHYJCJBK-UHFFFAOYSA-N 0 1 249.293 1.300 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000897684641 584039834 /nfs/dbraw/zinc/03/98/34/584039834.db2.gz UKYCONJMBNVKLS-PELKAZGASA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1O ZINC000897684641 584039837 /nfs/dbraw/zinc/03/98/37/584039837.db2.gz UKYCONJMBNVKLS-PELKAZGASA-N 0 1 241.718 1.858 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897684007 584040592 /nfs/dbraw/zinc/04/05/92/584040592.db2.gz JCLFFDBFUCOINX-GWCFXTLKSA-N 0 1 221.300 1.513 20 10 BDCDMN Cc1cccc(CN2CC[C@H](O)[C@H](F)C2)c1O ZINC000898187307 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ZINC001236255321 979475194 /nfs/dbraw/zinc/47/51/94/979475194.db2.gz BBKFIUMOYSCEOQ-UHFFFAOYSA-N 0 1 245.706 1.478 20 10 BDCDMN CCc1ccc(CN(C)C2COC2)c(O)c1 ZINC001236795353 979738455 /nfs/dbraw/zinc/73/84/55/979738455.db2.gz UUJKCCAMVMQVEY-UHFFFAOYSA-N 0 1 221.300 1.785 20 10 BDCDMN C[C@H]([NH3+])CN(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001236907562 979790857 /nfs/dbraw/zinc/79/08/57/979790857.db2.gz AZMWUXIUACYDTR-ZETCQYMHSA-N 0 1 246.713 1.964 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccc(N)cc2)C[C@H]1CC(=O)[O-] ZINC001607438527 980106344 /nfs/dbraw/zinc/10/63/44/980106344.db2.gz NWNCYDOHNHRVHX-ZYHUDNBSSA-N 0 1 248.326 1.811 20 10 BDCDMN Cc1cc(F)cc(CN2CC(C)(CO)C2)c1O ZINC001238058364 980132409 /nfs/dbraw/zinc/13/24/09/980132409.db2.gz RDBNECHAALVMRD-UHFFFAOYSA-N 0 1 239.290 1.654 20 10 BDCDMN NCc1nccnc1NCc1ccc(N)cc1 ZINC001580358801 986793679 /nfs/dbraw/zinc/79/36/79/986793679.db2.gz XRGANJNTALBREM-UHFFFAOYSA-N 0 1 229.287 1.130 20 10 BDCDMN C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474525827 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992729387 /nfs/dbraw/zinc/72/93/87/992729387.db2.gz WKPZFNVFARWOTN-MRVPVSSYSA-N 0 1 249.188 1.183 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)[C@H](C)CO)cc1C ZINC000289473931 178194749 /nfs/dbraw/zinc/19/47/49/178194749.db2.gz PUNBPTHWLOEYEX-LLVKDONJSA-N 0 1 223.316 1.822 20 10 BDCDMN Cc1cccc(CN2CCOCC2)c1O ZINC000032237037 179080134 /nfs/dbraw/zinc/08/01/34/179080134.db2.gz LHZHGLFYRJEUPF-UHFFFAOYSA-N 0 1 207.273 1.533 20 10 BDCDMN CC[N@@H+](Cc1cc(C)ccc1O)[C@@H]1CCNC1=O ZINC000281894265 351914946 /nfs/dbraw/zinc/91/49/46/351914946.db2.gz YOBBMOJXIACCRI-GFCCVEGCSA-N 0 1 248.326 1.411 20 10 BDCDMN OC[C@@]1(F)CCCN(Cc2ccccc2O)C1 ZINC000289701960 183134971 /nfs/dbraw/zinc/13/49/71/183134971.db2.gz GBVGPCAJCKXSLW-CYBMUJFWSA-N 0 1 239.290 1.689 20 10 BDCDMN CCC[N@@H+](CC(=O)[O-])Cc1ccccc1O ZINC000083411607 169098309 /nfs/dbraw/zinc/09/83/09/169098309.db2.gz ZUQDTJFHAGNABL-UHFFFAOYSA-N 0 1 223.272 1.689 20 10 BDCDMN Oc1ccc(F)cc1CN1CC2(C1)CCOC2 ZINC000293933996 183275774 /nfs/dbraw/zinc/27/57/74/183275774.db2.gz HQVVTPIXNJVJTD-UHFFFAOYSA-N 0 1 237.274 1.754 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC000128086932 183292500 /nfs/dbraw/zinc/29/25/00/183292500.db2.gz GZXNRAUIGUCETK-MRVPVSSYSA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000128086932 183292503 /nfs/dbraw/zinc/29/25/03/183292503.db2.gz GZXNRAUIGUCETK-MRVPVSSYSA-N 0 1 227.691 1.612 20 10 BDCDMN CCC[N@@H+](CCO)Cc1cccc(F)c1[O-] ZINC000272302528 169166288 /nfs/dbraw/zinc/16/62/88/169166288.db2.gz PXKPSKPZICAEHF-UHFFFAOYSA-N 0 1 227.279 1.736 20 10 BDCDMN Cc1ccc(O)c(CN2CCO[C@H](C)C2)c1 ZINC000132474127 384231945 /nfs/dbraw/zinc/23/19/45/384231945.db2.gz IBXBRVKJTCOOEO-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN CN(Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000121592252 384427580 /nfs/dbraw/zinc/42/75/80/384427580.db2.gz QNVYIBMKUCFNBR-JTQLQIEISA-N 0 1 249.232 1.747 20 10 BDCDMN COC(=O)[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC000124813092 384678576 /nfs/dbraw/zinc/67/85/76/384678576.db2.gz IHYLDVGOLPNJQP-LBPRGKRZSA-N 0 1 249.310 1.838 20 10 BDCDMN CC(C)(O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000082687385 384703477 /nfs/dbraw/zinc/70/34/77/384703477.db2.gz MUVTUJZJUXLZSJ-UHFFFAOYSA-N 0 1 229.707 1.906 20 10 BDCDMN CN(CC(=O)N(C)C1CC1)Cc1ccccc1O ZINC000109771166 385190156 /nfs/dbraw/zinc/19/01/56/385190156.db2.gz SRDLSMMVPDLWNN-UHFFFAOYSA-N 0 1 248.326 1.445 20 10 BDCDMN CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000171250560 385475338 /nfs/dbraw/zinc/47/53/38/385475338.db2.gz XNUGUFTXBYVUCG-UHFFFAOYSA-N 0 1 249.358 1.273 20 10 BDCDMN OC[C@@H]1C[C@@H](F)CN1Cc1ccccc1O ZINC000364842825 385525267 /nfs/dbraw/zinc/52/52/67/385525267.db2.gz KBRDRUIPQSBAMV-MNOVXSKESA-N 0 1 225.263 1.297 20 10 BDCDMN C[N@@H+](CCn1cccn1)Cc1cccc(F)c1[O-] ZINC000272234558 385886700 /nfs/dbraw/zinc/88/67/00/385886700.db2.gz FJSIOTAYSDWDMF-UHFFFAOYSA-N 0 1 249.289 1.860 20 10 BDCDMN C[C@H](CO)[N@H+](C)Cc1c([O-])cccc1Cl ZINC000289394794 386295667 /nfs/dbraw/zinc/29/56/67/386295667.db2.gz FNMMVDJSSVRNAC-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@H](CO)[N@@H+](C)Cc1c([O-])cccc1Cl ZINC000289394794 386295673 /nfs/dbraw/zinc/29/56/73/386295673.db2.gz FNMMVDJSSVRNAC-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN Oc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000179576694 134321822 /nfs/dbraw/zinc/32/18/22/134321822.db2.gz YMEMADFBWPJJQW-NNQSOWQGSA-N 0 1 247.338 1.985 20 10 BDCDMN CC1CCN(CC(=O)Nc2ccc(N)cc2)CC1 ZINC000022155797 168179356 /nfs/dbraw/zinc/17/93/56/168179356.db2.gz XFGRMRWCXZFCLF-UHFFFAOYSA-N 0 1 247.342 1.939 20 10 BDCDMN CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000042544496 173151425 /nfs/dbraw/zinc/15/14/25/173151425.db2.gz QIGSEKBNJUVJMG-NSHDSACASA-N 0 1 240.734 1.839 20 10 BDCDMN C[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CO ZINC000276698742 176175583 /nfs/dbraw/zinc/17/55/83/176175583.db2.gz DVEGQJLXCCQCET-SKDRFNHKSA-N 0 1 239.290 1.734 20 10 BDCDMN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1O ZINC000292888401 177335610 /nfs/dbraw/zinc/33/56/10/177335610.db2.gz YOSGWOWLGOQEBC-CABZTGNLSA-N 0 1 239.290 1.877 20 10 BDCDMN COc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897683792 584040464 /nfs/dbraw/zinc/04/04/64/584040464.db2.gz GXIMLUQHBPNXFB-MWLCHTKSSA-N 0 1 237.299 1.213 20 10 BDCDMN COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897683793 584040644 /nfs/dbraw/zinc/04/06/44/584040644.db2.gz GXIMLUQHBPNXFB-ONGXEEELSA-N 0 1 237.299 1.213 20 10 BDCDMN Nc1ccc(-n2cc([C@@H]3CCCCN3)nn2)cc1 ZINC000899683137 584224291 /nfs/dbraw/zinc/22/42/91/584224291.db2.gz VIUNHRAYBMKRMC-LBPRGKRZSA-N 0 1 243.314 1.664 20 10 BDCDMN Cc1cc(O)c(CN2CCCNC(=O)C2)cc1C ZINC000769116060 584956789 /nfs/dbraw/zinc/95/67/89/584956789.db2.gz SCGBFBCSRZZVAG-UHFFFAOYSA-N 0 1 248.326 1.331 20 10 BDCDMN Cc1cccc(CN2CC(O)(C(C)C)C2)c1O ZINC000839132592 585094018 /nfs/dbraw/zinc/09/40/18/585094018.db2.gz DINFNMHKMOWTRY-UHFFFAOYSA-N 0 1 235.327 1.903 20 10 BDCDMN O=C(NCc1cnc[nH]1)C1=CC(=O)CS1 ZINC000748321071 585190876 /nfs/dbraw/zinc/19/08/76/585190876.db2.gz CSSTXPDDYNGBLQ-UHFFFAOYSA-N 0 1 223.257 1.107 20 10 BDCDMN CN1CN(Cc2cccc(Cl)c2O)CC1=O ZINC000765636890 585491727 /nfs/dbraw/zinc/49/17/27/585491727.db2.gz WLIYMXQXFSSUGB-UHFFFAOYSA-N 0 1 240.690 1.277 20 10 BDCDMN CN(Cc1cnc[nH]1)c1ccc2c(c1)OCO2 ZINC000776102164 585690086 /nfs/dbraw/zinc/69/00/86/585690086.db2.gz MWNLZIKTOGUCMP-UHFFFAOYSA-N 0 1 231.255 1.775 20 10 BDCDMN [O-]c1c(C[NH2+]CCO)ccc2ccccc21 ZINC000816561463 586740376 /nfs/dbraw/zinc/74/03/76/586740376.db2.gz YPYMDEMWFYWMKE-UHFFFAOYSA-N 0 1 217.268 1.627 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CO)cc1Cl ZINC000825130513 587305794 /nfs/dbraw/zinc/30/57/94/587305794.db2.gz BGWYHPHSAJKIMS-MRVPVSSYSA-N 0 1 229.707 1.824 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@]1(C)CO ZINC000827700458 587397669 /nfs/dbraw/zinc/39/76/69/587397669.db2.gz UKCZMKMPXNKFOI-BXUZGUMPSA-N 0 1 235.327 1.843 20 10 BDCDMN C[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1O ZINC000827955891 587412977 /nfs/dbraw/zinc/41/29/77/587412977.db2.gz GBWPHFONBHPXLS-NXEZZACHSA-N 0 1 236.315 1.520 20 10 BDCDMN CC1(C)[NH2+]CC[C@@H]1NCc1cccc(F)c1[O-] ZINC000841085448 587945872 /nfs/dbraw/zinc/94/58/72/587945872.db2.gz CPAXBLWNDOXTIG-NSHDSACASA-N 0 1 238.306 1.761 20 10 BDCDMN C[C@@H]1[NH2+]CCN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000843057227 588077857 /nfs/dbraw/zinc/07/78/57/588077857.db2.gz GXSVQLWCTJRGIF-UWVGGRQHSA-N 0 1 238.306 1.714 20 10 BDCDMN COc1ccc(N(C)Cc2n[nH]c(C)n2)cc1 ZINC000844355104 588187399 /nfs/dbraw/zinc/18/73/99/588187399.db2.gz KLNYGNXCVXSRJI-UHFFFAOYSA-N 0 1 232.287 1.758 20 10 BDCDMN CN(C)C(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849048281 588451005 /nfs/dbraw/zinc/45/10/05/588451005.db2.gz GGFKCQXDPONBTC-UHFFFAOYSA-N 0 1 227.695 1.632 20 10 BDCDMN CN(C)C1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205475 589745456 /nfs/dbraw/zinc/74/54/56/589745456.db2.gz FHRVJJVJFVGHNT-UHFFFAOYSA-N 0 1 246.310 1.329 20 10 BDCDMN Cc1cccc(O)c1CN1CCO[C@H](C)C1 ZINC000876556869 590215754 /nfs/dbraw/zinc/21/57/54/590215754.db2.gz WTLOSSJULYWVPF-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877467642 590333878 /nfs/dbraw/zinc/33/38/78/590333878.db2.gz LNBVZBAUVHKQJK-APPZFPTMSA-N 0 1 243.253 1.626 20 10 BDCDMN Cc1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c(O)c1 ZINC000877660131 590386518 /nfs/dbraw/zinc/38/65/18/590386518.db2.gz FKEGYFYSZZKYBS-VXGBXAGGSA-N 0 1 247.294 1.305 20 10 BDCDMN Cc1cccc(O)c1CNCc1ncc[nH]1 ZINC000877672711 590390327 /nfs/dbraw/zinc/39/03/27/590390327.db2.gz LIWCTRHIIGRRHJ-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN CO[C@]1(C[N@H+]2Cc3cccc(O)c3C2)CCOC1 ZINC000877702796 590396254 /nfs/dbraw/zinc/39/62/54/590396254.db2.gz HVPSRNLDXXZEIM-AWEZNQCLSA-N 0 1 249.310 1.513 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCOC1 ZINC000127352099 590625086 /nfs/dbraw/zinc/62/50/86/590625086.db2.gz QMNATUYHAHDHJL-MRVPVSSYSA-N 0 1 227.691 1.924 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1[NH3+] ZINC000220189267 592287577 /nfs/dbraw/zinc/28/75/77/592287577.db2.gz VKQVLPSAKUBEOS-SKDRFNHKSA-N 0 1 238.306 1.700 20 10 BDCDMN COc1cccc(C[N@@H+](C)CCC(=O)[O-])c1O ZINC000086774872 598126502 /nfs/dbraw/zinc/12/65/02/598126502.db2.gz YSEURTYYFFZADG-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cc2c(cc1O)CCC2 ZINC000737074211 600027495 /nfs/dbraw/zinc/02/74/95/600027495.db2.gz CNUVXTRVDJVXGH-UHFFFAOYSA-N 0 1 249.310 1.787 20 10 BDCDMN CCN(C)c1ccc([C@@H](C)N[C@H]2CNOC2)cc1 ZINC000925871371 635588452 /nfs/dbraw/zinc/58/84/52/635588452.db2.gz USXXFVPXWJNLNP-YPMHNXCESA-N 0 1 249.358 1.697 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CO)C1CC1 ZINC000309576829 632540013 /nfs/dbraw/zinc/54/00/13/632540013.db2.gz PBPJVHPUGFDNKV-NSHDSACASA-N 0 1 241.718 1.906 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895644831 636171308 /nfs/dbraw/zinc/17/13/08/636171308.db2.gz GGLFYFNSHAKWME-UFBFGSQYSA-N 0 1 241.237 1.237 20 10 BDCDMN C[C@H]([NH2+]CCCON)c1cc(Cl)ccc1[O-] ZINC000902426398 637305752 /nfs/dbraw/zinc/30/57/52/637305752.db2.gz SGAMIJFZOXBWOB-QMMMGPOBSA-N 0 1 244.722 1.977 20 10 BDCDMN NC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000904449404 637414677 /nfs/dbraw/zinc/41/46/77/637414677.db2.gz HRCHLXWYOIXHHJ-UHFFFAOYSA-N 0 1 226.707 1.627 20 10 BDCDMN COc1ccc(O)c([C@H](C)NCc2cc[nH]n2)c1 ZINC000041014223 641539505 /nfs/dbraw/zinc/53/95/05/641539505.db2.gz QIMWIHCWXSVIDB-VIFPVBQESA-N 0 1 247.298 1.975 20 10 BDCDMN NC(=O)c1coc(CNCc2ccccc2O)c1 ZINC000189404616 641806769 /nfs/dbraw/zinc/80/67/69/641806769.db2.gz PFJWEPMLSASXOX-UHFFFAOYSA-N 0 1 246.266 1.374 20 10 BDCDMN CNC(=O)CN(C)Cc1cc(C)c(C)cc1O ZINC000916567688 641949879 /nfs/dbraw/zinc/94/98/79/641949879.db2.gz MRVXUUZQBPSMEL-UHFFFAOYSA-N 0 1 236.315 1.187 20 10 BDCDMN c1nc(CNCc2ccc3c(c2)CCO3)c[nH]1 ZINC000112344923 643333938 /nfs/dbraw/zinc/33/39/38/643333938.db2.gz JSUJMTSDOIJYEZ-UHFFFAOYSA-N 0 1 229.283 1.634 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923006856 644225543 /nfs/dbraw/zinc/22/55/43/644225543.db2.gz GNPPJHCXBAHZGN-JLIMDTESSA-N 0 1 241.718 1.906 20 10 BDCDMN C[C@H](NC(=O)CN1CCCC1)c1ccccc1O ZINC000827969828 645089162 /nfs/dbraw/zinc/08/91/62/645089162.db2.gz RVPDITFUWKDDIW-NSHDSACASA-N 0 1 248.326 1.665 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H](CO)CCF ZINC000846096565 645403860 /nfs/dbraw/zinc/40/38/60/645403860.db2.gz IRYVPPGSYCMYGH-QMMMGPOBSA-N 0 1 247.697 1.856 20 10 BDCDMN COC(=O)[C@H](C)NCc1ccc(F)c(F)c1O ZINC000703379692 712074616 /nfs/dbraw/zinc/07/46/16/712074616.db2.gz PDBIQBVEAPVIPE-LURJTMIESA-N 0 1 245.225 1.322 20 10 BDCDMN CN(C)c1ccc(CNCc2c[nH]nn2)cc1 ZINC000398370372 711409614 /nfs/dbraw/zinc/40/96/14/711409614.db2.gz QQMCIRFSGZUOIS-UHFFFAOYSA-N 0 1 231.303 1.161 20 10 BDCDMN CC[C@@H](NCc1cnn(C)n1)c1ccccc1O ZINC000389817906 711090878 /nfs/dbraw/zinc/09/08/78/711090878.db2.gz VAKURPBJHGXLKG-GFCCVEGCSA-N 0 1 246.314 1.762 20 10 BDCDMN Cc1cccc(CNCc2cn(C)nn2)c1O ZINC000389835468 711091186 /nfs/dbraw/zinc/09/11/86/711091186.db2.gz NNKVCJCPFXLPPE-UHFFFAOYSA-N 0 1 232.287 1.119 20 10 BDCDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccccc1O ZINC000086816459 712082275 /nfs/dbraw/zinc/08/22/75/712082275.db2.gz AYFRLGKIJSATHC-CYBMUJFWSA-N 0 1 235.283 1.831 20 10 BDCDMN CCN(Cc1c(C)cccc1O)C1COC1 ZINC001237488386 979910407 /nfs/dbraw/zinc/91/04/07/979910407.db2.gz VYQOZEJCVIXITF-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000086779782 949065717 /nfs/dbraw/zinc/06/57/17/949065717.db2.gz DALJZGSRBJFUQV-AWEZNQCLSA-N 0 1 249.310 1.997 20 10 BDCDMN Cc1ccc(CN2CCCN(C)C(=O)C2)c(O)c1 ZINC001140950961 960758904 /nfs/dbraw/zinc/75/89/04/960758904.db2.gz QTNWEYMIFJAORD-UHFFFAOYSA-N 0 1 248.326 1.365 20 10 BDCDMN O=C(NCc1ccccc1O)c1[nH]ncc1F ZINC001150535546 962179847 /nfs/dbraw/zinc/17/98/47/962179847.db2.gz CWFNCBXGMRANBW-UHFFFAOYSA-N 0 1 235.218 1.184 20 10 BDCDMN Cc1cnc(NCc2ccc(O)c(O)c2)c(N)c1 ZINC001158997895 963969996 /nfs/dbraw/zinc/96/99/96/963969996.db2.gz SVLCHVIZRAEVET-UHFFFAOYSA-N 0 1 245.282 1.996 20 10 BDCDMN CCC(=O)N1CCN(Cc2ccccc2O)CC1 ZINC001203547246 966680362 /nfs/dbraw/zinc/68/03/62/966680362.db2.gz JVZZGFPEVJIJHY-UHFFFAOYSA-N 0 1 248.326 1.446 20 10 BDCDMN Oc1ccc(CN2C[C@@H]3CCO[C@@H]3C2)cc1O ZINC001203878547 966805388 /nfs/dbraw/zinc/80/53/88/966805388.db2.gz BPKAHODLTNUFIZ-GXFFZTMASA-N 0 1 235.283 1.319 20 10 BDCDMN CCO[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881054 966809163 /nfs/dbraw/zinc/80/91/63/966809163.db2.gz LGSOIWKYFCZWEL-LLVKDONJSA-N 0 1 237.299 1.709 20 10 BDCDMN Oc1ccc(CN2CCCCC23COC3)c(O)c1 ZINC001204275493 966955619 /nfs/dbraw/zinc/95/56/19/966955619.db2.gz SVIRDALAZKYRBO-UHFFFAOYSA-N 0 1 249.310 1.853 20 10 BDCDMN CC1([NH3+])CN(Cc2cccc(F)c2[O-])C1 ZINC001204974116 967269616 /nfs/dbraw/zinc/26/96/16/967269616.db2.gz PTCJKFKFRYEBNA-UHFFFAOYSA-N 0 1 210.252 1.064 20 10 BDCDMN C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(F)c(F)cc1[O-] ZINC001205191151 967418014 /nfs/dbraw/zinc/41/80/14/967418014.db2.gz YOSKCDDYZTYKRG-RDDDGLTNSA-N 0 1 242.269 1.592 20 10 BDCDMN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(O)c1 ZINC001594358489 977629626 /nfs/dbraw/zinc/62/96/26/977629626.db2.gz BAXYBJZGEWQHFQ-LBPRGKRZSA-N 0 1 249.310 1.997 20 10 BDCDMN CC(=O)CN(C)Cc1cccc(C)c1O ZINC001231591034 977641000 /nfs/dbraw/zinc/64/10/00/977641000.db2.gz QQGHEUYJKDSBLM-UHFFFAOYSA-N 0 1 207.273 1.721 20 10 BDCDMN O=C([O-])C1CC([NH2+]Cc2c(O)cccc2F)C1 ZINC001594900234 977873056 /nfs/dbraw/zinc/87/30/56/977873056.db2.gz MNVFOJYHRRLYOJ-UHFFFAOYSA-N 0 1 239.246 1.484 20 10 BDCDMN Cc1ccc(C[N@H+](C)[C@H](C)C(=O)[O-])c(O)c1 ZINC001600410100 978688746 /nfs/dbraw/zinc/68/87/46/978688746.db2.gz HMVJDAKYZVAGRQ-SECBINFHSA-N 0 1 223.272 1.606 20 10 BDCDMN Nc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001601216397 978797741 /nfs/dbraw/zinc/79/77/41/978797741.db2.gz ZIHWTGCTRFANIY-GFCCVEGCSA-N 0 1 234.299 1.708 20 10 BDCDMN C[C@H]1CCN(Cc2ccc(O)cc2O)CCC1=O ZINC001204276815 978927346 /nfs/dbraw/zinc/92/73/46/978927346.db2.gz SAEGUIZKEFJTTE-JTQLQIEISA-N 0 1 249.310 1.899 20 10 BDCDMN Oc1ccc(C[N@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001204278203 978930510 /nfs/dbraw/zinc/93/05/10/978930510.db2.gz XXYRMLXYPRDKPX-ZDUSSCGKSA-N 0 1 235.283 1.463 20 10 BDCDMN [O-]c1cccc(Cl)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236284299 979487094 /nfs/dbraw/zinc/48/70/94/979487094.db2.gz HPODOOJWWVWVKU-KWQFWETISA-N 0 1 238.718 1.449 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)[C@H](C(=O)[O-])C1 ZINC001604754409 979716639 /nfs/dbraw/zinc/71/66/39/979716639.db2.gz VZBPKHHLDCEGMG-GWCFXTLKSA-N 0 1 248.326 1.954 20 10 BDCDMN CCc1ccc(CN2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001236789625 979729633 /nfs/dbraw/zinc/72/96/33/979729633.db2.gz BVEIBNRQBNTTBZ-STQMWFEESA-N 0 1 233.311 1.928 20 10 BDCDMN Cc1cccc(O)c1CN1CCOC[C@@H]1C ZINC001237482113 979909723 /nfs/dbraw/zinc/90/97/23/979909723.db2.gz JMPBFNBAPBPXBP-NSHDSACASA-N 0 1 221.300 1.921 20 10 BDCDMN CO[C@@H]1CN(Cc2c(C)cccc2O)C[C@@H]1F ZINC001237485787 979911672 /nfs/dbraw/zinc/91/16/72/979911672.db2.gz SJZPCMFRJGTCBB-WCQYABFASA-N 0 1 239.290 1.869 20 10 BDCDMN [O-]c1c(F)cccc1CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001580887996 981720781 /nfs/dbraw/zinc/72/07/81/981720781.db2.gz CONOIZZMRDCIEO-BXKDBHETSA-N 0 1 236.290 1.325 20 10 BDCDMN CN(Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 ZINC001203882606 982585566 /nfs/dbraw/zinc/58/55/66/982585566.db2.gz NKHOHTODDYWBBN-SNVBAGLBSA-N 0 1 223.272 1.319 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(N)cc1 ZINC001596226376 983618161 /nfs/dbraw/zinc/61/81/61/983618161.db2.gz YGAGXWNLHHDKSX-UHFFFAOYSA-N 0 1 208.261 1.175 20 10 BDCDMN c1nnc(CNCc2ccc3c(c2)CCCO3)[nH]1 ZINC001474306230 983901998 /nfs/dbraw/zinc/90/19/98/983901998.db2.gz HJIRSHMWCFECBK-UHFFFAOYSA-N 0 1 244.298 1.420 20 10 BDCDMN Oc1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718251686 985840994 /nfs/dbraw/zinc/84/09/94/985840994.db2.gz SLFQFJAPZOQHOV-PHIMTYICSA-N 0 1 237.274 1.610 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)CC[C@@H]1O ZINC001137833126 990857731 /nfs/dbraw/zinc/85/77/31/990857731.db2.gz UHUMDEOALBXESY-SKDRFNHKSA-N 0 1 239.290 1.734 20 10 BDCDMN COc1cc(C)c(C[N@H+]2CC[C@H](O)C2)c(O)c1 ZINC001560647684 991535143 /nfs/dbraw/zinc/53/51/43/991535143.db2.gz AEIULPDPYRRINT-JTQLQIEISA-N 0 1 237.299 1.276 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC001140460990 991644517 /nfs/dbraw/zinc/64/45/17/991644517.db2.gz ALNZSMHDLIHBRX-SNVBAGLBSA-N 0 1 227.691 1.612 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001140460990 991644522 /nfs/dbraw/zinc/64/45/22/991644522.db2.gz ALNZSMHDLIHBRX-SNVBAGLBSA-N 0 1 227.691 1.612 20 10 BDCDMN C[N@@H+](CC1(CC(=O)[O-])CC1)c1ccc(N)cc1 ZINC001598441982 991857010 /nfs/dbraw/zinc/85/70/10/991857010.db2.gz KFQWPPULCDQYAU-UHFFFAOYSA-N 0 1 234.299 1.960 20 10 BDCDMN CN1CC(=O)N[C@H]1c1cccc(Cl)c1O ZINC000298795160 383994372 /nfs/dbraw/zinc/99/43/72/383994372.db2.gz SKBPOJWCLGDARE-SNVBAGLBSA-N 0 1 226.663 1.106 20 10 BDCDMN C[C@H](CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000083552153 384311088 /nfs/dbraw/zinc/31/10/88/384311088.db2.gz RFRDYXZNKKLEBY-QMMMGPOBSA-N 0 1 229.707 1.764 20 10 BDCDMN CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000020196587 384596234 /nfs/dbraw/zinc/59/62/34/384596234.db2.gz QLIFVOSOHQTKRM-UHFFFAOYSA-N 0 1 229.707 1.906 20 10 BDCDMN CC[N@@H+](CCO)Cc1cc(C)ccc1O ZINC000127969602 384918836 /nfs/dbraw/zinc/91/88/36/384918836.db2.gz DYTKMGNAESCNTO-UHFFFAOYSA-N 0 1 209.289 1.515 20 10 BDCDMN CN(CC(=O)NC1CC1)Cc1ccccc1O ZINC000109771043 385190039 /nfs/dbraw/zinc/19/00/39/385190039.db2.gz BZZORYJVJIBNQZ-UHFFFAOYSA-N 0 1 234.299 1.103 20 10 BDCDMN C[C@@]1(O)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272340889 385895946 /nfs/dbraw/zinc/89/59/46/385895946.db2.gz YPUPYOHKBKNWIE-CYBMUJFWSA-N 0 1 239.290 1.878 20 10 BDCDMN Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272531836 385911668 /nfs/dbraw/zinc/91/16/68/385911668.db2.gz NDLUTXPRJBSOLX-VXGBXAGGSA-N 0 1 235.327 1.903 20 10 BDCDMN CC[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000229967812 388806450 /nfs/dbraw/zinc/80/64/50/388806450.db2.gz SSZWIXLXZWTGJI-QMMMGPOBSA-N 0 1 229.707 1.906 20 10 BDCDMN CN(CC(=O)N1CCC1)Cc1ccccc1O ZINC000264584269 397921625 /nfs/dbraw/zinc/92/16/25/397921625.db2.gz DKUSUXQIAAHVMJ-UHFFFAOYSA-N 0 1 234.299 1.056 20 10 BDCDMN Cc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1C ZINC000897683428 584040365 /nfs/dbraw/zinc/04/03/65/584040365.db2.gz DDSRVAHVOJHRFF-SMDDNHRTSA-N 0 1 235.327 1.822 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000897684642 584040600 /nfs/dbraw/zinc/04/06/00/584040600.db2.gz UKYCONJMBNVKLS-PRHODGIISA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@H]1O ZINC000897684642 584040601 /nfs/dbraw/zinc/04/06/01/584040601.db2.gz UKYCONJMBNVKLS-PRHODGIISA-N 0 1 241.718 1.858 20 10 BDCDMN CCc1cccc(CNCc2cn(C)cn2)c1O ZINC000898043520 584081290 /nfs/dbraw/zinc/08/12/90/584081290.db2.gz SANHYFGTIBDHAC-UHFFFAOYSA-N 0 1 245.326 1.978 20 10 BDCDMN COc1cc(C)cc(C[N@H+]2CC[C@@H]2CO)c1O ZINC000902629257 584646441 /nfs/dbraw/zinc/64/64/41/584646441.db2.gz ARVGDIKOIIGDRH-LLVKDONJSA-N 0 1 237.299 1.276 20 10 BDCDMN c1cc2c(cc1CN[C@@H]1CNOC1)CCCO2 ZINC000904424188 584880811 /nfs/dbraw/zinc/88/08/11/584880811.db2.gz PGBOZFVMIURNEL-GFCCVEGCSA-N 0 1 234.299 1.005 20 10 BDCDMN CN1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000731872990 584930102 /nfs/dbraw/zinc/93/01/02/584930102.db2.gz VCENYBVUPQGINV-LBPRGKRZSA-N 0 1 248.326 1.493 20 10 BDCDMN OCC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000779201202 585746906 /nfs/dbraw/zinc/74/69/06/585746906.db2.gz BQTYFDZAXVHLGZ-LBPRGKRZSA-N 0 1 239.290 1.878 20 10 BDCDMN CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)CO ZINC000816653606 586752860 /nfs/dbraw/zinc/75/28/60/586752860.db2.gz ALUABBIVVCQILI-JTQLQIEISA-N 0 1 239.315 1.604 20 10 BDCDMN O=C([O-])[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000821511329 587124138 /nfs/dbraw/zinc/12/41/38/587124138.db2.gz HZSUTJGSWYQUSW-VIFPVBQESA-N 0 1 239.246 1.438 20 10 BDCDMN O=C([O-])[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000821511329 587124139 /nfs/dbraw/zinc/12/41/39/587124139.db2.gz HZSUTJGSWYQUSW-VIFPVBQESA-N 0 1 239.246 1.438 20 10 BDCDMN C[C@@H](NC(=O)C1(N(C)C)CC1)c1ccccc1O ZINC000827952071 587413023 /nfs/dbraw/zinc/41/30/23/587413023.db2.gz FPTBXJUEEIIBIZ-SNVBAGLBSA-N 0 1 248.326 1.664 20 10 BDCDMN CN(CC[NH2+]Cc1cccc(F)c1O)C(=O)[O-] ZINC000833872343 587737662 /nfs/dbraw/zinc/73/76/62/587737662.db2.gz JYAMUMLAQWSXCJ-UHFFFAOYSA-N 0 1 242.250 1.231 20 10 BDCDMN Cc1cccc(C[N@H+]2CCO[C@@H](CF)C2)c1O ZINC000840955704 587931863 /nfs/dbraw/zinc/93/18/63/587931863.db2.gz YHNHHMAVGVDMCV-LBPRGKRZSA-N 0 1 239.290 1.871 20 10 BDCDMN Cc1cccc(CN2CCO[C@@H](CF)C2)c1O ZINC000840955704 587931864 /nfs/dbraw/zinc/93/18/64/587931864.db2.gz YHNHHMAVGVDMCV-LBPRGKRZSA-N 0 1 239.290 1.871 20 10 BDCDMN C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1[NH3+] ZINC000843120517 588083533 /nfs/dbraw/zinc/08/35/33/588083533.db2.gz OFSOFJLSDYRVOV-LDYMZIIASA-N 0 1 224.279 1.310 20 10 BDCDMN CCCONC(=O)c1c(F)ccc(O)c1O ZINC000844150729 588171050 /nfs/dbraw/zinc/17/10/50/588171050.db2.gz VXFDOSQAUWXEHF-UHFFFAOYSA-N 0 1 229.207 1.308 20 10 BDCDMN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1O ZINC000844938520 588219611 /nfs/dbraw/zinc/21/96/11/588219611.db2.gz VJERCQJMMANBPS-JTQLQIEISA-N 0 1 241.262 1.826 20 10 BDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(F)c1O ZINC000844938520 588219612 /nfs/dbraw/zinc/21/96/12/588219612.db2.gz VJERCQJMMANBPS-JTQLQIEISA-N 0 1 241.262 1.826 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417885 588545204 /nfs/dbraw/zinc/54/52/04/588545204.db2.gz PWMFBZJZGQOEMI-MGCOHNPYSA-N 0 1 227.691 1.659 20 10 BDCDMN O=C(C1=CC(=O)CS1)N1CCc2nc[nH]c2C1 ZINC000861762796 589177190 /nfs/dbraw/zinc/17/71/90/589177190.db2.gz GCOHHZMSDUEPHQ-UHFFFAOYSA-N 0 1 249.295 1.375 20 10 BDCDMN CN1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202207 589744550 /nfs/dbraw/zinc/74/45/50/589744550.db2.gz AFNOUPXQFHCZLW-GFCCVEGCSA-N 0 1 246.310 1.329 20 10 BDCDMN Cc1cccc(O)c1CNCc1ccno1 ZINC000877321656 590316354 /nfs/dbraw/zinc/31/63/54/590316354.db2.gz NYTFMTRCHZHKSM-UHFFFAOYSA-N 0 1 218.256 1.978 20 10 BDCDMN CCn1ncnc1CNCc1c(C)cccc1O ZINC000877492359 590340144 /nfs/dbraw/zinc/34/01/44/590340144.db2.gz WTZHRYZFKYGKKF-UHFFFAOYSA-N 0 1 246.314 1.602 20 10 BDCDMN Cc1ccc(CN2CC(O)(C(C)C)C2)c(O)c1 ZINC000877580237 590364584 /nfs/dbraw/zinc/36/45/84/590364584.db2.gz NPUVDQARHMSFHJ-UHFFFAOYSA-N 0 1 235.327 1.903 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](CC(=O)[O-])CC2CC2)c1 ZINC000086734714 631472235 /nfs/dbraw/zinc/47/22/35/631472235.db2.gz ZQOKPOHPVBMLKO-UHFFFAOYSA-N 0 1 249.310 1.997 20 10 BDCDMN COC[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894857782 635956725 /nfs/dbraw/zinc/95/67/25/635956725.db2.gz SQPALSOTBOMLJH-SNVBAGLBSA-N 0 1 243.253 1.891 20 10 BDCDMN C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1ccccc1O ZINC000895117721 636064205 /nfs/dbraw/zinc/06/42/05/636064205.db2.gz VQQCMSYZAWLOIH-HBNTYKKESA-N 0 1 248.326 1.490 20 10 BDCDMN COc1cccc(CNCc2conc2C)c1O ZINC000397842978 711707431 /nfs/dbraw/zinc/70/74/31/711707431.db2.gz CRLASBKZJANCMR-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN C[C@@H](N[C@@H](C)c1ccccc1O)c1nncn1C ZINC000037017448 712529138 /nfs/dbraw/zinc/52/91/38/712529138.db2.gz MVVIGOBWSNPIOU-VHSXEESVSA-N 0 1 246.314 1.933 20 10 BDCDMN Cc1ccc(CN(C)C2(C)COC2)c(O)c1 ZINC001140950972 960759657 /nfs/dbraw/zinc/75/96/57/960759657.db2.gz RGYVSKAJIJESLI-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN CC[C@H]([NH3+])CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001236868782 979770732 /nfs/dbraw/zinc/77/07/32/979770732.db2.gz IBFZZTPGIMPCDN-VIFPVBQESA-N 0 1 244.285 1.840 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000086807685 949068873 /nfs/dbraw/zinc/06/88/73/949068873.db2.gz XHKNEGWLTFCVRC-JTQLQIEISA-N 0 1 237.299 1.853 20 10 BDCDMN COc1cc(O)c(CN2CC=CC2)c(OC)c1 ZINC001141032118 960824978 /nfs/dbraw/zinc/82/49/78/960824978.db2.gz TVEKERKNAKQVKK-UHFFFAOYSA-N 0 1 235.283 1.781 20 10 BDCDMN C[C@H](NC(=O)c1[nH]ncc1F)c1ccccc1O ZINC001151899872 962352423 /nfs/dbraw/zinc/35/24/23/962352423.db2.gz ISIWJRMUMDQEHW-ZETCQYMHSA-N 0 1 249.245 1.745 20 10 BDCDMN COc1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001203620386 966708299 /nfs/dbraw/zinc/70/82/99/966708299.db2.gz CTTKVQKGFDBPQC-UHFFFAOYSA-N 0 1 235.283 1.233 20 10 BDCDMN COc1ccc(O)c(CN2CCC[C@H]2C(C)=O)c1 ZINC001203684208 966739095 /nfs/dbraw/zinc/73/90/95/966739095.db2.gz OFYDDOVYDDSYIN-ZDUSSCGKSA-N 0 1 249.310 1.954 20 10 BDCDMN C[C@@H]1COCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874671 966806328 /nfs/dbraw/zinc/80/63/28/966806328.db2.gz BHKOVTLKXSDGSK-JTQLQIEISA-N 0 1 237.299 1.566 20 10 BDCDMN Oc1ccc(CN2CCOC3(CC3)C2)c(O)c1 ZINC001204277483 966959202 /nfs/dbraw/zinc/95/92/02/966959202.db2.gz DXYACATWFCMLJV-UHFFFAOYSA-N 0 1 235.283 1.463 20 10 BDCDMN Nc1cc(Nc2ccncc2)c(O)cc1O ZINC001173884595 975963710 /nfs/dbraw/zinc/96/37/10/975963710.db2.gz MKVNJEVJHPCHTH-UHFFFAOYSA-N 0 1 217.228 1.241 20 10 BDCDMN COc1cccc(O)c1Nc1ccncc1 ZINC001173884662 975968308 /nfs/dbraw/zinc/96/83/08/975968308.db2.gz QFIHPAYWIXTSAH-UHFFFAOYSA-N 0 1 216.240 1.961 20 10 BDCDMN c1cc(N2CCCC2)ccc1CN[C@@H]1CNOC1 ZINC001336287098 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386273138 /nfs/dbraw/zinc/27/31/38/386273138.db2.gz BBNARZKMJSASDL-VIFPVBQESA-N 0 1 227.279 1.998 20 10 BDCDMN CC[N@@H+](CCOC)Cc1cc(F)ccc1O ZINC000226562191 386333942 /nfs/dbraw/zinc/33/39/42/386333942.db2.gz VHWIFYBREUBDMY-UHFFFAOYSA-N 0 1 227.279 2.000 20 10 BDCDMN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C ZINC000299548735 386465216 /nfs/dbraw/zinc/46/52/16/386465216.db2.gz QFVFSXDECYYDOV-LBPRGKRZSA-N 0 1 248.326 1.445 20 10 BDCDMN Cc1nc(CSc2nccs2)n[nH]1 ZINC000291618311 386620952 /nfs/dbraw/zinc/62/09/52/386620952.db2.gz IEPGJHOHMHWWMC-UHFFFAOYSA-N 0 1 212.303 1.862 20 10 BDCDMN CC[N@@H+](CCO)Cc1cccc(F)c1[O-] ZINC000272287734 411433423 /nfs/dbraw/zinc/43/34/23/411433423.db2.gz NQGSVJKMEZAYQN-UHFFFAOYSA-N 0 1 213.252 1.346 20 10 BDCDMN C[C@H]1COCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000369451658 177288205 /nfs/dbraw/zinc/28/82/05/177288205.db2.gz KUDIEIPZTADOFU-SNVBAGLBSA-N 0 1 239.290 2.000 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000893921909 583247745 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/nfs/dbraw/zinc/27/73/50/644277350.db2.gz YTPLYKRLRTYERP-VIFPVBQESA-N 0 1 247.298 1.975 20 10 BDCDMN C[C@@H](NCc1cn(C)nn1)c1ccccc1O ZINC000389835636 711090541 /nfs/dbraw/zinc/09/05/41/711090541.db2.gz OHPLMMOADUSXKZ-SECBINFHSA-N 0 1 232.287 1.372 20 10 BDCDMN Cc1nnc([C@H](C)NCc2ccccc2O)[nH]1 ZINC000392461322 711148442 /nfs/dbraw/zinc/14/84/42/711148442.db2.gz LHVOWMZMUHWMSE-QMMMGPOBSA-N 0 1 232.287 1.670 20 10 BDCDMN COC[C@H](C[N@@H+](C)Cc1ccccc1O)OC ZINC000701148631 712017221 /nfs/dbraw/zinc/01/72/21/712017221.db2.gz XMLXBIXZBRNLCS-LBPRGKRZSA-N 0 1 239.315 1.485 20 10 BDCDMN COc1ccc(O)c(CNCc2n[nH]cc2C)c1 ZINC000716455876 712562329 /nfs/dbraw/zinc/56/23/29/712562329.db2.gz DNRVMVIMHNNPPE-UHFFFAOYSA-N 0 1 247.298 1.722 20 10 BDCDMN Cc1n[nH]c(C(=O)NCc2ccccc2O)c1C ZINC000716675139 712569291 /nfs/dbraw/zinc/56/92/91/712569291.db2.gz QSHIEJMFCIOYOR-UHFFFAOYSA-N 0 1 245.282 1.662 20 10 BDCDMN CCc1n[nH]c(NC(=O)C2=CC(=O)CS2)n1 ZINC001333804922 976098896 /nfs/dbraw/zinc/09/88/96/976098896.db2.gz LQEKZEQJGXEFIQ-UHFFFAOYSA-N 0 1 238.272 1.387 20 10 BDCDMN [NH3+]C[C@H]1CCCN1Cc1c([O-])cccc1F ZINC001236246365 979468027 /nfs/dbraw/zinc/46/80/27/979468027.db2.gz YAGIRPMIEQWKQG-SECBINFHSA-N 0 1 224.279 1.454 20 10 BDCDMN Oc1cccc2c1CN(Cc1ccnnc1)CC2 ZINC001139985384 957295095 /nfs/dbraw/zinc/29/50/95/957295095.db2.gz PXPOVALFMUEUOG-UHFFFAOYSA-N 0 1 241.294 1.741 20 10 BDCDMN COc1cccc(CN2CC[C@@H](F)C2)c1O ZINC000689863350 959537475 /nfs/dbraw/zinc/53/74/75/959537475.db2.gz PNBQRBREEBNTFF-SNVBAGLBSA-N 0 1 225.263 1.945 20 10 BDCDMN CCN(Cc1ccc(C)cc1O)C1COC1 ZINC001140950878 960759900 /nfs/dbraw/zinc/75/99/00/960759900.db2.gz MPUIMWSLDSMCFN-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN COC(CN(C)Cc1cc(O)ccc1O)OC ZINC001141161154 960894261 /nfs/dbraw/zinc/89/42/61/960894261.db2.gz MYTGLSOAOLCTAZ-UHFFFAOYSA-N 0 1 241.287 1.149 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001142508785 964340651 /nfs/dbraw/zinc/34/06/51/964340651.db2.gz 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ZINC001231561192 977635352 /nfs/dbraw/zinc/63/53/52/977635352.db2.gz SGAKZWJVBBSQOA-UHFFFAOYSA-N 0 1 209.245 1.542 20 10 BDCDMN Cc1cccc(CN2C[C@@H](O)[C@@H](F)C2)c1O ZINC001231591057 977641704 /nfs/dbraw/zinc/64/17/04/977641704.db2.gz RJJHITWVAPYDDP-WDEREUQCSA-N 0 1 225.263 1.215 20 10 BDCDMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)c(O)c1 ZINC001600410555 978691925 /nfs/dbraw/zinc/69/19/25/978691925.db2.gz RXZYYVLKDGHZBT-UHFFFAOYSA-N 0 1 235.283 1.750 20 10 BDCDMN [NH3+][C@@]12C[C@@H]1CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001236023111 979318025 /nfs/dbraw/zinc/31/80/25/979318025.db2.gz GBSQLCYQVALBCB-JMCQJSRRSA-N 0 1 240.253 1.203 20 10 BDCDMN CC(=O)CN(C)Cc1c(C)cccc1O ZINC001237486203 979909047 /nfs/dbraw/zinc/90/90/47/979909047.db2.gz XOIIAZZRENQFHI-UHFFFAOYSA-N 0 1 207.273 1.721 20 10 BDCDMN COC(=O)[C@@H]1CCCN1Cc1c(C)cccc1O ZINC001237485800 979910092 /nfs/dbraw/zinc/91/00/92/979910092.db2.gz SYZLDKAPHQALTR-LBPRGKRZSA-N 0 1 249.310 1.838 20 10 BDCDMN O=C1CCN(Cc2cc(F)cc(Cl)c2O)C1 ZINC001237799188 980050749 /nfs/dbraw/zinc/05/07/49/980050749.db2.gz PDJQERQGFYBHAC-UHFFFAOYSA-N 0 1 243.665 1.960 20 10 BDCDMN N=CNC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193625877 981388901 /nfs/dbraw/zinc/38/89/01/981388901.db2.gz NXFOCYYBBPMDMS-UHFFFAOYSA-N 0 1 214.608 1.088 20 10 BDCDMN O=C([O-])[C@@H](CF)[NH2+]Cc1cccc(F)c1O ZINC001601651844 988881026 /nfs/dbraw/zinc/88/10/26/988881026.db2.gz XJXXMOFGXTWYNU-MRVPVSSYSA-N 0 1 231.198 1.044 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001137839204 990858851 /nfs/dbraw/zinc/85/88/51/990858851.db2.gz WEWRPVFBBZDAMR-TVQRCGJNSA-N 0 1 237.274 1.752 20 10 BDCDMN C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001308955017 991233067 /nfs/dbraw/zinc/23/30/67/991233067.db2.gz WNUDPAWNKQJWCS-PRHODGIISA-N 0 1 241.718 1.858 20 10 BDCDMN C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001308955017 991233082 /nfs/dbraw/zinc/23/30/82/991233082.db2.gz WNUDPAWNKQJWCS-PRHODGIISA-N 0 1 241.718 1.858 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001139685626 991321499 /nfs/dbraw/zinc/32/14/99/991321499.db2.gz QIVDGPROTMWTCX-MRVPVSSYSA-N 0 1 243.253 1.627 20 10 BDCDMN C[N@H+](CCC(N)=O)Cc1c([O-])cccc1Cl ZINC000289575461 538110373 /nfs/dbraw/zinc/11/03/73/538110373.db2.gz JREKWKKGUVDGSK-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN C[N@@H+](CCC(N)=O)Cc1c([O-])cccc1Cl ZINC000289575461 538110374 /nfs/dbraw/zinc/11/03/74/538110374.db2.gz JREKWKKGUVDGSK-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000272344923 183124287 /nfs/dbraw/zinc/12/42/87/183124287.db2.gz ZIZQXGOCSHAHHU-SECBINFHSA-N 0 1 225.263 1.346 20 10 BDCDMN COc1cc(Cl)cc(C[N@@H+](C)CCO)c1O ZINC000184671998 384636863 /nfs/dbraw/zinc/63/68/63/384636863.db2.gz FEAKPYSVISEAGG-UHFFFAOYSA-N 0 1 245.706 1.478 20 10 BDCDMN COC(=O)[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000124812874 384679080 /nfs/dbraw/zinc/67/90/80/384679080.db2.gz IHYLDVGOLPNJQP-GFCCVEGCSA-N 0 1 249.310 1.838 20 10 BDCDMN CCN(CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000188063968 385012107 /nfs/dbraw/zinc/01/21/07/385012107.db2.gz PDZKPOYVGIFWTI-UHFFFAOYSA-N 0 1 236.315 1.316 20 10 BDCDMN CNC(=O)[C@H](C)NCc1ccc(OC)c(C)c1 ZINC000042342113 173303257 /nfs/dbraw/zinc/30/32/57/173303257.db2.gz FTOPBNASTOOWHK-JTQLQIEISA-N 0 1 236.315 1.228 20 10 BDCDMN C[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000132475033 176307978 /nfs/dbraw/zinc/30/79/78/176307978.db2.gz BYDJSZQDXJOBQO-SNVBAGLBSA-N 0 1 207.273 1.613 20 10 BDCDMN C[C@H]1CN(Cc2ccc(N)cc2)CCO1 ZINC000022145278 177263030 /nfs/dbraw/zinc/26/30/30/177263030.db2.gz KDMDLLJWRQXWLR-JTQLQIEISA-N 0 1 206.289 1.490 20 10 BDCDMN Cc1ccc(O)c(CN2CCO[C@H](CF)C2)c1 ZINC000840955384 583183345 /nfs/dbraw/zinc/18/33/45/583183345.db2.gz UMIOPGPGQMNWBF-GFCCVEGCSA-N 0 1 239.290 1.871 20 10 BDCDMN Cc1nnc([C@@H](C)NCc2ccc(C)cc2O)[nH]1 ZINC000894779233 583519999 /nfs/dbraw/zinc/51/99/99/583519999.db2.gz XGVDRMGAABLHNE-SECBINFHSA-N 0 1 246.314 1.978 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895647350 583699309 /nfs/dbraw/zinc/69/93/09/583699309.db2.gz KMJFXLOJHSACFK-PRHODGIISA-N 0 1 239.702 1.612 20 10 BDCDMN [O-]c1cccc(Cl)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895647350 583699311 /nfs/dbraw/zinc/69/93/11/583699311.db2.gz KMJFXLOJHSACFK-PRHODGIISA-N 0 1 239.702 1.612 20 10 BDCDMN COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897683791 584040314 /nfs/dbraw/zinc/04/03/14/584040314.db2.gz GXIMLUQHBPNXFB-KOLCDFICSA-N 0 1 237.299 1.213 20 10 BDCDMN Cc1cc(N(C)C)ccc1CN[C@@H]1CNOC1 ZINC000904424128 584881010 /nfs/dbraw/zinc/88/10/10/584881010.db2.gz NAMXRWWDRHVLNA-GFCCVEGCSA-N 0 1 235.331 1.054 20 10 BDCDMN O=C(NO[C@H]1CCCCO1)C1=CC(=O)CS1 ZINC000731872445 584930124 /nfs/dbraw/zinc/93/01/24/584930124.db2.gz KOGGHAFVLCAQPB-VIFPVBQESA-N 0 1 243.284 1.642 20 10 BDCDMN CN(C)CCN(C)C(=O)C1=CC(=O)CS1 ZINC000748407380 585192397 /nfs/dbraw/zinc/19/23/97/585192397.db2.gz PRWCGEJLWZVIAV-UHFFFAOYSA-N 0 1 228.317 1.087 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639490 585682017 /nfs/dbraw/zinc/68/20/17/585682017.db2.gz XDAIRXGUMLVYCS-UHFFFAOYSA-N 0 1 233.670 1.609 20 10 BDCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000775648588 585682611 /nfs/dbraw/zinc/68/26/11/585682611.db2.gz DEQHFAWYFZPYLU-VIFPVBQESA-N 0 1 245.681 1.751 20 10 BDCDMN Cc1cc(O)c(C[N@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000818849175 586914476 /nfs/dbraw/zinc/91/44/76/586914476.db2.gz BMASBOYEXBGFGK-JTQLQIEISA-N 0 1 237.299 1.914 20 10 BDCDMN Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1O ZINC000821111929 587096556 /nfs/dbraw/zinc/09/65/56/587096556.db2.gz BLUULXBKLCBFHF-VIFPVBQESA-N 0 1 223.272 1.606 20 10 BDCDMN O=C([O-])N[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000834190014 587748153 /nfs/dbraw/zinc/74/81/53/587748153.db2.gz QELKEDMVYQGTQM-SNVBAGLBSA-N 0 1 236.271 1.234 20 10 BDCDMN O=C([O-])N[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000834190013 587748407 /nfs/dbraw/zinc/74/84/07/587748407.db2.gz QELKEDMVYQGTQM-JTQLQIEISA-N 0 1 236.271 1.234 20 10 BDCDMN C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000841023791 587935597 /nfs/dbraw/zinc/93/55/97/587935597.db2.gz FVOBREODOTYWMM-LDYMZIIASA-N 0 1 224.279 1.453 20 10 BDCDMN C[C@H]1C[NH2+]CCN1Cc1cccc(F)c1[O-] ZINC000843046874 588075200 /nfs/dbraw/zinc/07/52/00/588075200.db2.gz CUMYLOWIZDPXHQ-VIFPVBQESA-N 0 1 224.279 1.325 20 10 BDCDMN [NH3+][C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843043697 588075365 /nfs/dbraw/zinc/07/53/65/588075365.db2.gz DCFGRELQECGGIA-JTQLQIEISA-N 0 1 224.279 1.454 20 10 BDCDMN C[C@H]1[NH2+]CCN(Cc2cccc(F)c2[O-])[C@H]1C ZINC000843057229 588077566 /nfs/dbraw/zinc/07/75/66/588077566.db2.gz GXSVQLWCTJRGIF-ZJUUUORDSA-N 0 1 238.306 1.714 20 10 BDCDMN C[NH2+]C[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000843056157 588078017 /nfs/dbraw/zinc/07/80/17/588078017.db2.gz VTQXVSXKDPPXBG-LLVKDONJSA-N 0 1 238.306 1.715 20 10 BDCDMN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(F)c1[O-] ZINC000843065526 588078698 /nfs/dbraw/zinc/07/86/98/588078698.db2.gz MSHJILUOILFOKK-AOOOYVTPSA-N 0 1 238.306 1.714 20 10 BDCDMN Oc1ccccc1CNCc1cc2n(n1)CCC2 ZINC000850113861 588520330 /nfs/dbraw/zinc/52/03/30/588520330.db2.gz XYGWEGRXLZVHGZ-UHFFFAOYSA-N 0 1 243.310 1.825 20 10 BDCDMN C[C@H](NCc1cn(C)cn1)c1ccccc1O ZINC000851895207 588641924 /nfs/dbraw/zinc/64/19/24/588641924.db2.gz CCGWRXPANCGYTC-JTQLQIEISA-N 0 1 231.299 1.977 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]CC1(CO)CC1 ZINC000118907028 589204551 /nfs/dbraw/zinc/20/45/51/589204551.db2.gz NNPKTUJVDOFIBT-UHFFFAOYSA-N 0 1 241.718 1.908 20 10 BDCDMN Cc1cccc(O)c1CNCc1nncn1C ZINC000876929554 590258333 /nfs/dbraw/zinc/25/83/33/590258333.db2.gz KDXLRCRQSQJYRH-UHFFFAOYSA-N 0 1 232.287 1.119 20 10 BDCDMN Cc1ccc(CNCc2cn(C)nn2)c(O)c1 ZINC000877194455 590299422 /nfs/dbraw/zinc/29/94/22/590299422.db2.gz NEDZDCIPLCMURC-UHFFFAOYSA-N 0 1 232.287 1.119 20 10 BDCDMN Cc1cccc(O)c1CN1CC(=O)N(C)[C@H](C)C1 ZINC000877500838 590341081 /nfs/dbraw/zinc/34/10/81/590341081.db2.gz DTBBWEZTYAFJQM-LLVKDONJSA-N 0 1 248.326 1.363 20 10 BDCDMN CCc1nnc(CNCc2ccc(C)cc2O)[nH]1 ZINC000877555048 590356625 /nfs/dbraw/zinc/35/66/25/590356625.db2.gz SFWJTJWWEUEESS-UHFFFAOYSA-N 0 1 246.314 1.671 20 10 BDCDMN CCOc1cccc(CNC2(C)COC2)c1O ZINC000877691221 590392839 /nfs/dbraw/zinc/39/28/39/590392839.db2.gz LHPIQRVDRNKNBW-UHFFFAOYSA-N 0 1 237.299 1.669 20 10 BDCDMN COc1ccc(O)c(CNC2(C)COC2)c1 ZINC000877691930 590392962 /nfs/dbraw/zinc/39/29/62/590392962.db2.gz XRFYHIPDWOFOQG-UHFFFAOYSA-N 0 1 223.272 1.279 20 10 BDCDMN C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1O ZINC000234291238 598211215 /nfs/dbraw/zinc/21/12/15/598211215.db2.gz UZYAUIBWWISXEN-UHFFFAOYSA-N 0 1 227.235 1.438 20 10 BDCDMN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000086729590 598211770 /nfs/dbraw/zinc/21/17/70/598211770.db2.gz CPLUGEMCYWPPAX-NSHDSACASA-N 0 1 235.283 1.831 20 10 BDCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895644829 636170980 /nfs/dbraw/zinc/17/09/80/636170980.db2.gz GGLFYFNSHAKWME-PRHODGIISA-N 0 1 241.237 1.237 20 10 BDCDMN NC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000904449932 637413971 /nfs/dbraw/zinc/41/39/71/637413971.db2.gz NLGOXMNKADWVOJ-UHFFFAOYSA-N 0 1 244.697 1.766 20 10 BDCDMN COc1ccc(O)c([C@@H](C)NCc2ncc[nH]2)c1 ZINC000080581906 642841478 /nfs/dbraw/zinc/84/14/78/642841478.db2.gz YTPLYKRLRTYERP-SECBINFHSA-N 0 1 247.298 1.975 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000087784409 644503870 /nfs/dbraw/zinc/50/38/70/644503870.db2.gz NTBIMHREWYAGHS-JTQLQIEISA-N 0 1 227.691 1.924 20 10 BDCDMN CN(CC(N)=O)Cc1c(O)ccc(Cl)c1F ZINC000792162077 644792734 /nfs/dbraw/zinc/79/27/34/644792734.db2.gz BLCPNLRWMXAARY-UHFFFAOYSA-N 0 1 246.669 1.102 20 10 BDCDMN Cn1cnc(CNCc2ccccc2O)c1 ZINC000381230757 710610789 /nfs/dbraw/zinc/61/07/89/710610789.db2.gz KUWSFNQICHMMIT-UHFFFAOYSA-N 0 1 217.272 1.416 20 10 BDCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCOC1 ZINC000703489203 712077087 /nfs/dbraw/zinc/07/70/87/712077087.db2.gz FBWFJXAHXVHPMC-SECBINFHSA-N 0 1 243.253 1.891 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C/C=C\CO ZINC000717533689 712660585 /nfs/dbraw/zinc/66/05/85/712660585.db2.gz NCCHUPFQBWXBDT-UPHRSURJSA-N 0 1 227.691 1.684 20 10 BDCDMN O=C1NCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001206801058 968486385 /nfs/dbraw/zinc/48/63/85/968486385.db2.gz RQPICBBOPSSEPJ-VIFPVBQESA-N 0 1 240.690 1.024 20 10 BDCDMN CCN(Cc1cccc(C)c1O)C1COC1 ZINC001231592213 977642292 /nfs/dbraw/zinc/64/22/92/977642292.db2.gz GIMMOBNKSLDZHB-UHFFFAOYSA-N 0 1 221.300 1.921 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC000108245345 949216899 /nfs/dbraw/zinc/21/68/99/949216899.db2.gz DOVQVBODNJCAOY-UHFFFAOYSA-N 0 1 248.326 1.803 20 10 BDCDMN CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[NH2+]C1 ZINC001218180674 971614696 /nfs/dbraw/zinc/61/46/96/971614696.db2.gz AKDMAYUYPAIXNO-QMMMGPOBSA-N 0 1 237.255 1.041 20 10 BDCDMN C[C@H]1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C(=O)[O-] ZINC000693464434 958471317 /nfs/dbraw/zinc/47/13/17/958471317.db2.gz MFWFYIDAWIIGJE-JQWIXIFHSA-N 0 1 249.310 1.935 20 10 BDCDMN Cc1c[nH]c(CNCc2ccccc2O)n1 ZINC000693496185 958571100 /nfs/dbraw/zinc/57/11/00/958571100.db2.gz TXCBYPZSONUERN-UHFFFAOYSA-N 0 1 217.272 1.714 20 10 BDCDMN Cc1c(O)ccc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001140741735 960541783 /nfs/dbraw/zinc/54/17/83/960541783.db2.gz BEZMAAUFLCPEQA-TXEJJXNPSA-N 0 1 249.310 1.769 20 10 BDCDMN Cc1cc(CN2CCc3cccc(O)c3C2)n[nH]1 ZINC001203081822 960766430 /nfs/dbraw/zinc/76/64/30/960766430.db2.gz HQJBJKYFEFNFSF-UHFFFAOYSA-N 0 1 243.310 1.982 20 10 BDCDMN Cc1cc(CN2CCc3cccc(O)c3C2)[nH]n1 ZINC001203081822 960766448 /nfs/dbraw/zinc/76/64/48/960766448.db2.gz HQJBJKYFEFNFSF-UHFFFAOYSA-N 0 1 243.310 1.982 20 10 BDCDMN Cc1ccc(O)c(CN(C)[C@@H]2CCN(C)C2=O)c1 ZINC000690257083 964825630 /nfs/dbraw/zinc/82/56/30/964825630.db2.gz GDCGNPZQGMZWQJ-GFCCVEGCSA-N 0 1 248.326 1.363 20 10 BDCDMN C[C@@]1(O)CCN(Cc2ccccc2O)C[C@@H]1F ZINC001203550360 966679961 /nfs/dbraw/zinc/67/99/61/966679961.db2.gz TUTYPYJWCUSZBQ-QWHCGFSZSA-N 0 1 239.290 1.687 20 10 BDCDMN CN(Cc1ccccc1O)C1(C)COC1 ZINC001203555674 966693045 /nfs/dbraw/zinc/69/30/45/966693045.db2.gz BRUCCBDYHASAEB-UHFFFAOYSA-N 0 1 207.273 1.613 20 10 BDCDMN CCN(Cc1ccc(N(C)C)cc1)C1COC1 ZINC001203937794 966824762 /nfs/dbraw/zinc/82/47/62/966824762.db2.gz SGNJZNNSAGKQQL-UHFFFAOYSA-N 0 1 234.343 1.973 20 10 BDCDMN C[C@H]1CN(Cc2ccc(O)cc2O)CCCC1=O ZINC001204271722 966953378 /nfs/dbraw/zinc/95/33/78/966953378.db2.gz CUYGFXWPDIWSBO-JTQLQIEISA-N 0 1 249.310 1.899 20 10 BDCDMN Nc1ccc(CN2CCC(F)(F)[C@H](N)C2)cc1 ZINC001206683928 968434019 /nfs/dbraw/zinc/43/40/19/968434019.db2.gz NPEXBEVKJQFPGU-LLVKDONJSA-N 0 1 241.285 1.437 20 10 BDCDMN COC(=O)c1cccc(Nc2ccncc2)c1O ZINC001173883592 975955781 /nfs/dbraw/zinc/95/57/81/975955781.db2.gz UMZITKGVLSQHNN-UHFFFAOYSA-N 0 1 244.250 1.739 20 10 BDCDMN O=C([O-])c1ccc(C[NH+]2CC3(CCO3)C2)c(O)c1 ZINC001231455647 977595462 /nfs/dbraw/zinc/59/54/62/977595462.db2.gz SMTQGAXQIRGMLU-UHFFFAOYSA-N 0 1 249.266 1.065 20 10 BDCDMN Oc1cc(O)c(CN2CC3(CCC3)C2)cc1O ZINC001233482872 978613059 /nfs/dbraw/zinc/61/30/59/978613059.db2.gz FQVDCVCJNDSLKW-UHFFFAOYSA-N 0 1 235.283 1.789 20 10 BDCDMN O=C([O-])[C@@H](CF)[NH2+]Cc1cc(F)c(F)cc1O ZINC001601650897 978826095 /nfs/dbraw/zinc/82/60/95/978826095.db2.gz RRRYMRRVEUPMPX-MRVPVSSYSA-N 0 1 249.188 1.183 20 10 BDCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277402 978931341 /nfs/dbraw/zinc/93/13/41/978931341.db2.gz CTUOXWVCLHSXTP-SNVBAGLBSA-N 0 1 235.283 1.509 20 10 BDCDMN [O-]c1cccc(F)c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235078626 978970759 /nfs/dbraw/zinc/97/07/59/978970759.db2.gz PXEPMVDRZFJFAT-VXGBXAGGSA-N 0 1 236.290 1.468 20 10 BDCDMN CC[C@@H]([NH2+]Cc1cc(F)c(F)cc1O)C(=O)[O-] ZINC001603915885 979543602 /nfs/dbraw/zinc/54/36/02/979543602.db2.gz VOMVOBDNFHBVQK-SECBINFHSA-N 0 1 245.225 1.623 20 10 BDCDMN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC001237119069 979820806 /nfs/dbraw/zinc/82/08/06/979820806.db2.gz AHYPUWCXEPNTBO-SSDOTTSWSA-N 0 1 245.681 1.751 20 10 BDCDMN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CC[C@@H](O)C1 ZINC001237119069 979820814 /nfs/dbraw/zinc/82/08/14/979820814.db2.gz AHYPUWCXEPNTBO-SSDOTTSWSA-N 0 1 245.681 1.751 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cc(C)cc(C)c1O ZINC001596224893 983616005 /nfs/dbraw/zinc/61/60/05/983616005.db2.gz ITBHBOABFUBJNH-UHFFFAOYSA-N 0 1 237.299 1.916 20 10 BDCDMN Cc1c2ccccc2n(C)c1CN[C@@H]1CNOC1 ZINC001579534933 986073849 /nfs/dbraw/zinc/07/38/49/986073849.db2.gz XXRUOHMRGMAVHD-LLVKDONJSA-N 0 1 245.326 1.480 20 10 BDCDMN Cc1cc(CN2CC(C)(CO)C2)ccc1N(C)C ZINC001139669567 990791918 /nfs/dbraw/zinc/79/19/18/990791918.db2.gz BAKZUWSYAYWRET-UHFFFAOYSA-N 0 1 248.370 1.875 20 10 BDCDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])cccc1F ZINC001137831668 990853498 /nfs/dbraw/zinc/85/34/98/990853498.db2.gz JHCZFAGNELHULJ-RKDXNWHRSA-N 0 1 225.263 1.486 20 10 BDCDMN C[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137837401 990858170 /nfs/dbraw/zinc/85/81/70/990858170.db2.gz FPGBTWPHXADAER-ZDUSSCGKSA-N 0 1 239.290 1.878 20 10 BDCDMN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c([O-])cccc1F ZINC001137839090 990859057 /nfs/dbraw/zinc/85/90/57/990859057.db2.gz QYVMGINLKCGCEX-NXEZZACHSA-N 0 1 239.290 1.877 20 10 BDCDMN CC1(CO)C[NH+](Cc2c([O-])c(F)ccc2F)C1 ZINC001139685737 991316915 /nfs/dbraw/zinc/31/69/15/991316915.db2.gz VMLHALPMCKYYFR-UHFFFAOYSA-N 0 1 243.253 1.485 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC001140466433 991644808 /nfs/dbraw/zinc/64/48/08/991644808.db2.gz FNSNFDWKLMFWDV-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC001140466433 991644812 /nfs/dbraw/zinc/64/48/12/991644812.db2.gz FNSNFDWKLMFWDV-SECBINFHSA-N 0 1 241.718 1.860 20 10 BDCDMN Cc1cc(O)c(C[N@@H+](C)CCCO)cc1C ZINC000281800936 178195772 /nfs/dbraw/zinc/19/57/72/178195772.db2.gz PDCGZHHWJUXGLO-UHFFFAOYSA-N 0 1 223.316 1.823 20 10 BDCDMN CC[NH+]1CCN(Cc2cc(C)ccc2O)CC1 ZINC000131701072 345305679 /nfs/dbraw/zinc/30/56/79/345305679.db2.gz QRSKAWUHUGOEMP-UHFFFAOYSA-N 0 1 234.343 1.838 20 10 BDCDMN Cc1cccc(CN(C)Cc2nnc[nH]2)c1O ZINC000180324516 179070222 /nfs/dbraw/zinc/07/02/22/179070222.db2.gz ZNQRBZFVXUXQCW-UHFFFAOYSA-N 0 1 232.287 1.451 20 10 BDCDMN OC[C@@H]1C[C@H](F)CN1Cc1ccccc1O ZINC000364842827 183130026 /nfs/dbraw/zinc/13/00/26/183130026.db2.gz KBRDRUIPQSBAMV-QWRGUYRKSA-N 0 1 225.263 1.297 20 10 BDCDMN Oc1cc2c(cc1CNCc1cc[nH]n1)OCO2 ZINC000042880407 183260753 /nfs/dbraw/zinc/26/07/53/183260753.db2.gz CFTUVEZKLSRACR-UHFFFAOYSA-N 0 1 247.254 1.134 20 10 BDCDMN CC(=O)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000133275339 384281656 /nfs/dbraw/zinc/28/16/56/384281656.db2.gz ZKJKXJIEYXFRGQ-UHFFFAOYSA-N 0 1 248.326 1.446 20 10 BDCDMN CNC(=O)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083599848 384782122 /nfs/dbraw/zinc/78/21/22/384782122.db2.gz LPBPMPCDRGXPED-UHFFFAOYSA-N 0 1 242.706 1.271 20 10 BDCDMN C[C@@H]([NH2+]CCO)c1cc(Cl)ccc1[O-] ZINC000134910566 388481504 /nfs/dbraw/zinc/48/15/04/388481504.db2.gz UIBUDCOAVONEEH-SSDOTTSWSA-N 0 1 215.680 1.689 20 10 BDCDMN NCc1nccnc1Sc1nccs1 ZINC000054378856 388593870 /nfs/dbraw/zinc/59/38/70/388593870.db2.gz LPSYGCBESWJZOK-UHFFFAOYSA-N 0 1 224.314 1.543 20 10 BDCDMN Cn1nncc1CNCc1ccc2c(c1)CCO2 ZINC000267509764 389001209 /nfs/dbraw/zinc/00/12/09/389001209.db2.gz JTLRLBVNTIHEFR-UHFFFAOYSA-N 0 1 244.298 1.040 20 10 BDCDMN [O-]c1ccc(Cl)cc1CNC1=[NH+]CCCN1 ZINC000849214874 582843355 /nfs/dbraw/zinc/84/33/55/582843355.db2.gz ZGUHPFVBCURODT-UHFFFAOYSA-N 0 1 239.706 1.485 20 10 BDCDMN C[N@@H+](CCO)Cc1cc(F)cc(F)c1[O-] ZINC000893870750 583235448 /nfs/dbraw/zinc/23/54/48/583235448.db2.gz GEGOBDGKJMSYSP-UHFFFAOYSA-N 0 1 217.215 1.095 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894450279 583462276 /nfs/dbraw/zinc/46/22/76/583462276.db2.gz HELPOFBMFRLNBW-SSDOTTSWSA-N 0 1 231.242 1.483 20 10 BDCDMN Cc1ccc(O)c(CN2CCc3n[nH]cc3C2)c1 ZINC000857878178 588919051 /nfs/dbraw/zinc/91/90/51/588919051.db2.gz UNVCFHASCVVUNX-UHFFFAOYSA-N 0 1 243.310 1.982 20 10 BDCDMN CC[N@@H+](CCC(N)=O)Cc1cc(F)ccc1O ZINC000896712545 583826131 /nfs/dbraw/zinc/82/61/31/583826131.db2.gz QYUHJZPTHIRXLI-UHFFFAOYSA-N 0 1 240.278 1.229 20 10 BDCDMN Cc1cccc(CNCc2cn(C)cn2)c1O ZINC000898045635 584073833 /nfs/dbraw/zinc/07/38/33/584073833.db2.gz QHZNQSSYFSHKOP-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000841076375 584743003 /nfs/dbraw/zinc/74/30/03/584743003.db2.gz GPROOTBQXCIIBI-SFYZADRCSA-N 0 1 212.268 1.357 20 10 BDCDMN Cn1cnc(CN[C@H]2CCc3cccc(O)c32)c1 ZINC000903351112 584755388 /nfs/dbraw/zinc/75/53/88/584755388.db2.gz HGSJBNARLGWKSI-LBPRGKRZSA-N 0 1 243.310 1.903 20 10 BDCDMN CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945164 584991956 /nfs/dbraw/zinc/99/19/56/584991956.db2.gz WARRLEVCSNVKJT-CMPLNLGQSA-N 0 1 238.306 1.934 20 10 BDCDMN CCCN(CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000746137218 585163640 /nfs/dbraw/zinc/16/36/40/585163640.db2.gz MHNTZFDNZJKNOL-UHFFFAOYSA-N 0 1 249.358 1.450 20 10 BDCDMN CN(Cc1cn[nH]c1)Cc1ccccc1O ZINC000768872895 585545232 /nfs/dbraw/zinc/54/52/32/585545232.db2.gz LLBKTPOSDJYQJM-UHFFFAOYSA-N 0 1 217.272 1.747 20 10 BDCDMN COc1cccc(O)c1C[N@H+]1CCCOCC1 ZINC000768889746 585545298 /nfs/dbraw/zinc/54/52/98/585545298.db2.gz QIRWTOUISXDANN-UHFFFAOYSA-N 0 1 237.299 1.623 20 10 BDCDMN NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000770509484 585575191 /nfs/dbraw/zinc/57/51/91/585575191.db2.gz ATXWDGFGCAOVIG-LBPRGKRZSA-N 0 1 248.326 1.622 20 10 BDCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000775647847 585682324 /nfs/dbraw/zinc/68/23/24/585682324.db2.gz DEQHFAWYFZPYLU-SECBINFHSA-N 0 1 245.681 1.751 20 10 BDCDMN C[N@@H+](CCCO)Cc1cccc(Cl)c1[O-] ZINC000799739503 586195765 /nfs/dbraw/zinc/19/57/65/586195765.db2.gz ILGUGZKBUQIOJF-UHFFFAOYSA-N 0 1 229.707 1.860 20 10 BDCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000817414604 586802417 /nfs/dbraw/zinc/80/24/17/586802417.db2.gz MCKHWPVJRFWOAV-KOLCDFICSA-N 0 1 239.290 1.877 20 10 BDCDMN Cc1cc(Cl)cc(C[N@@H+](C)CC(=O)[O-])c1O ZINC000820976330 587085706 /nfs/dbraw/zinc/08/57/06/587085706.db2.gz BBEBYLGGZGKILD-UHFFFAOYSA-N 0 1 243.690 1.870 20 10 BDCDMN CN1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244125 587652181 /nfs/dbraw/zinc/65/21/81/587652181.db2.gz LFXGPATUEFHMLQ-LBPRGKRZSA-N 0 1 233.315 1.692 20 10 BDCDMN Nc1ccc(Cc2nc([C@@H]3CCCN3)no2)cc1 ZINC000842644277 588047988 /nfs/dbraw/zinc/04/79/88/588047988.db2.gz UMDVFIUNBUWNPY-NSHDSACASA-N 0 1 244.298 1.667 20 10 BDCDMN C[NH2+]C[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000843056158 588078116 /nfs/dbraw/zinc/07/81/16/588078116.db2.gz VTQXVSXKDPPXBG-NSHDSACASA-N 0 1 238.306 1.715 20 10 BDCDMN CCN(CC(N)=O)Cc1c(C)cccc1O ZINC000877469787 590335221 /nfs/dbraw/zinc/33/52/21/590335221.db2.gz ZEWOGWVUMVLTAD-UHFFFAOYSA-N 0 1 222.288 1.008 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1c(O)cccc1Cl ZINC000128816090 591164364 /nfs/dbraw/zinc/16/43/64/591164364.db2.gz GLKBRMHMDGBSRV-SSDOTTSWSA-N 0 1 243.690 1.951 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294092177 592725198 /nfs/dbraw/zinc/72/51/98/592725198.db2.gz ZRBJKPAZEQMINR-ZETCQYMHSA-N 0 1 247.697 1.997 20 10 BDCDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1O ZINC000083406845 597060247 /nfs/dbraw/zinc/06/02/47/597060247.db2.gz KJGXRCXISSERAH-MRVPVSSYSA-N 0 1 209.245 1.297 20 10 BDCDMN CN(C)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000086789463 598127791 /nfs/dbraw/zinc/12/77/91/598127791.db2.gz CBIQDJPATCDLRM-GFCCVEGCSA-N 0 1 248.326 1.659 20 10 BDCDMN COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1O ZINC000086756460 598131761 /nfs/dbraw/zinc/13/17/61/598131761.db2.gz ZIABDUVRLVYGDJ-QMMMGPOBSA-N 0 1 239.271 1.306 20 10 BDCDMN COc1ccc(O)c(C[N@@H+](C)CCC(=O)[O-])c1 ZINC000086774932 598182030 /nfs/dbraw/zinc/18/20/30/598182030.db2.gz CRORTLVNUWXGBB-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN CC(C)[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1O ZINC000232670623 605477721 /nfs/dbraw/zinc/47/77/21/605477721.db2.gz HRHDSICCZFVGQK-UHFFFAOYSA-N 0 1 241.262 1.826 20 10 BDCDMN [NH3+][C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000309559481 632495854 /nfs/dbraw/zinc/49/58/54/632495854.db2.gz NYCQOIBPNHCUNS-VIFPVBQESA-N 0 1 210.252 1.064 20 10 BDCDMN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1ccccc1O ZINC000895117520 636065699 /nfs/dbraw/zinc/06/56/99/636065699.db2.gz VQQCMSYZAWLOIH-GARJFASQSA-N 0 1 248.326 1.490 20 10 BDCDMN CC1(C)C[NH2+]C[C@H]1NCc1cccc(F)c1[O-] ZINC000904461862 637406707 /nfs/dbraw/zinc/40/67/07/637406707.db2.gz KTRXUMMPKREXMU-LLVKDONJSA-N 0 1 238.306 1.619 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000086728711 644168729 /nfs/dbraw/zinc/16/87/29/644168729.db2.gz FEDVWOCDJHZGMR-LLVKDONJSA-N 0 1 249.310 1.997 20 10 BDCDMN CCNC(=O)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000036780451 712494587 /nfs/dbraw/zinc/49/45/87/712494587.db2.gz WSALTRDLOGOZGE-UHFFFAOYSA-N 0 1 242.706 1.271 20 10 BDCDMN CC[C@@H](NCc1cn(C)nn1)c1ccccc1O ZINC000389811599 711088877 /nfs/dbraw/zinc/08/88/77/711088877.db2.gz HPFKTJAQNDEHAY-GFCCVEGCSA-N 0 1 246.314 1.762 20 10 BDCDMN [O-]c1cccc(Br)c1C[NH2+]CCO ZINC000706808777 712372223 /nfs/dbraw/zinc/37/22/23/712372223.db2.gz ZTSZDVAIELQXBK-UHFFFAOYSA-N 0 1 246.104 1.237 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877320233 712630806 /nfs/dbraw/zinc/63/08/06/712630806.db2.gz CHABGQLNJSPMJX-ZETCQYMHSA-N 0 1 231.242 1.483 20 10 BDCDMN C[C@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000160800876 964846099 /nfs/dbraw/zinc/84/60/99/964846099.db2.gz NOIHHLLVZRFTGE-SSDOTTSWSA-N 0 1 242.706 1.399 20 10 BDCDMN C[N@@H+](CCCO)Cc1cc(F)c(F)cc1[O-] ZINC001205503911 967652886 /nfs/dbraw/zinc/65/28/86/967652886.db2.gz MUZOZXZUEDDZMO-UHFFFAOYSA-N 0 1 231.242 1.485 20 10 BDCDMN CC(=O)[C@@H]1CCCN1Cc1ccc(O)c(C)c1O ZINC001140751493 960554949 /nfs/dbraw/zinc/55/49/49/960554949.db2.gz ZAWUNLWFGHDIFC-LBPRGKRZSA-N 0 1 249.310 1.960 20 10 BDCDMN Oc1ccc(O)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001141158181 960890345 /nfs/dbraw/zinc/89/03/45/960890345.db2.gz VNHFRSNHZQQDBW-UWJYBYFXSA-N 0 1 237.274 1.888 20 10 BDCDMN CO[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508979 964344640 /nfs/dbraw/zinc/34/46/40/964344640.db2.gz RKZHREFFMMPJAV-VIFPVBQESA-N 0 1 243.253 1.891 20 10 BDCDMN C[C@H]1CCC[N@@H+](Cc2ccccc2O)[C@@H]1CO ZINC001203549901 966673112 /nfs/dbraw/zinc/67/31/12/966673112.db2.gz BWQMQDVNVRMICU-WCQYABFASA-N 0 1 235.327 1.985 20 10 BDCDMN Oc1ccc(CN2CCC[C@@]3(CCO3)C2)cc1O ZINC001203882197 966810796 /nfs/dbraw/zinc/81/07/96/966810796.db2.gz GASAMNMJWCMENH-CQSZACIVSA-N 0 1 249.310 1.853 20 10 BDCDMN CN(C)c1ccc(CN2CC3(COC3)C2)cc1 ZINC001203929860 966823926 /nfs/dbraw/zinc/82/39/26/966823926.db2.gz HTJORWKNIDTDKR-UHFFFAOYSA-N 0 1 232.327 1.585 20 10 BDCDMN CN1CCN(c2ccc(C3=CCOC3)cc2)CC1 ZINC001239485770 966903617 /nfs/dbraw/zinc/90/36/17/966903617.db2.gz GKIZEQWVUJYCIH-UHFFFAOYSA-N 0 1 244.338 1.852 20 10 BDCDMN Cn1[nH]cnc1=Nc1ccc(Cl)cc1O ZINC001214399898 970495819 /nfs/dbraw/zinc/49/58/19/970495819.db2.gz FRSRDYNNXQEDKD-UHFFFAOYSA-N 0 1 224.651 1.340 20 10 BDCDMN C[C@H]1CC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231446845 977592434 /nfs/dbraw/zinc/59/24/34/977592434.db2.gz LPWFPTAYWADFNY-QMMMGPOBSA-N 0 1 221.256 1.685 20 10 BDCDMN CN1CCC=C(Nc2cccc(O)c2O)C1 ZINC001175579139 977593405 /nfs/dbraw/zinc/59/34/05/977593405.db2.gz NXYSADFERDAKIG-UHFFFAOYSA-N 0 1 220.272 1.729 20 10 BDCDMN C[N@@H+](CCF)Cc1ccc(C(=O)[O-])cc1O ZINC001231452586 977596553 /nfs/dbraw/zinc/59/65/53/977596553.db2.gz DGTPYIJIBJRNSN-UHFFFAOYSA-N 0 1 227.235 1.492 20 10 BDCDMN O=C1CN(Cc2ccc(F)c(F)c2O)CCO1 ZINC001233078841 978454575 /nfs/dbraw/zinc/45/45/75/978454575.db2.gz LHKYNALVCIVIFJ-UHFFFAOYSA-N 0 1 243.209 1.029 20 10 BDCDMN C[C@@H]1CCN(Cc2ccc(N)cc2)[C@@H](C(N)=O)C1 ZINC001337838297 978521581 /nfs/dbraw/zinc/52/15/81/978521581.db2.gz NHWXLNKQJIZWLW-ZWNOBZJWSA-N 0 1 247.342 1.355 20 10 BDCDMN C/C(=C/C(=O)[O-])C[N@H+](C)Cc1ccccc1O ZINC001602955221 979342981 /nfs/dbraw/zinc/34/29/81/979342981.db2.gz MZMBGHVZPPAJSI-YFHOEESVSA-N 0 1 235.283 1.855 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001236170053 979424522 /nfs/dbraw/zinc/42/45/22/979424522.db2.gz UJNGSKCQIWEYLC-MRVPVSSYSA-N 0 1 210.252 1.064 20 10 BDCDMN [O-]c1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236284270 979487054 /nfs/dbraw/zinc/48/70/54/979487054.db2.gz HIQVGGJXWLHXJI-MWLCHTKSSA-N 0 1 238.718 1.449 20 10 BDCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236296578 979504365 /nfs/dbraw/zinc/50/43/65/979504365.db2.gz SVNWJBUYGOSRHK-KWQFWETISA-N 0 1 240.253 1.074 20 10 BDCDMN CCc1ccc(CN(C)CC(=O)NC)c(O)c1 ZINC001236784380 979731116 /nfs/dbraw/zinc/73/11/16/979731116.db2.gz VQLHMXRZDDGXDM-UHFFFAOYSA-N 0 1 236.315 1.132 20 10 BDCDMN C[C@H]1CCN1C(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606211 981396656 /nfs/dbraw/zinc/39/66/56/981396656.db2.gz WNMDGSLVQUXZML-LURJTMIESA-N 0 1 241.674 1.986 20 10 BDCDMN C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)C(=O)[O-] ZINC001589067339 982602107 /nfs/dbraw/zinc/60/21/07/982602107.db2.gz JFHPWHRKFCAMCY-SFYZADRCSA-N 0 1 241.262 1.903 20 10 BDCDMN CC[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001596226354 983617668 /nfs/dbraw/zinc/61/76/68/983617668.db2.gz VDHCRJBCKNJTQG-UHFFFAOYSA-N 0 1 227.235 1.438 20 10 BDCDMN CC[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC001596226354 983617671 /nfs/dbraw/zinc/61/76/71/983617671.db2.gz VDHCRJBCKNJTQG-UHFFFAOYSA-N 0 1 227.235 1.438 20 10 BDCDMN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001138122395 984801429 /nfs/dbraw/zinc/80/14/29/984801429.db2.gz BNEIMWQWYSUEOB-MWLCHTKSSA-N 0 1 243.253 1.436 20 10 BDCDMN CCN(CC(N)=O)Cc1ccc(Cl)cc1O ZINC001462191961 986307560 /nfs/dbraw/zinc/30/75/60/986307560.db2.gz WDVJAIDBYSBZJI-UHFFFAOYSA-N 0 1 242.706 1.353 20 10 BDCDMN [O-]c1cccc(F)c1C[N@H+]1CCC2(COC2)C1 ZINC001137832698 990858331 /nfs/dbraw/zinc/85/83/31/990858331.db2.gz DQLVDUGMWNRQHM-UHFFFAOYSA-N 0 1 237.274 1.754 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2c([O-])c(F)ccc2F)C[C@@H]1O ZINC001139680799 991310360 /nfs/dbraw/zinc/31/03/60/991310360.db2.gz CEDDWXAFTKRLKC-CPCISQLKSA-N 0 1 243.253 1.483 20 10 BDCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001139681415 991314977 /nfs/dbraw/zinc/31/49/77/991314977.db2.gz QIVDGPROTMWTCX-QMMMGPOBSA-N 0 1 243.253 1.627 20 10 BDCDMN COC[C@H]1CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139690199 991317829 /nfs/dbraw/zinc/31/78/29/991317829.db2.gz SSBSESOPNOAVLL-MRVPVSSYSA-N 0 1 243.253 1.891 20 10 BDCDMN CNC(=O)CN(C)Cc1c(C)ccc(C)c1O ZINC001140178205 991550208 /nfs/dbraw/zinc/55/02/08/991550208.db2.gz CJVJHKWOHSNVGY-UHFFFAOYSA-N 0 1 236.315 1.187 20 10 BDCDMN Cc1ccc(C)c(CN2CC(O)C2)c1O ZINC001140178518 991551214 /nfs/dbraw/zinc/55/12/14/991551214.db2.gz NLFSOSKCOTYVMF-UHFFFAOYSA-N 0 1 207.273 1.186 20 10 BDCDMN C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560853179 991621766 /nfs/dbraw/zinc/62/17/66/991621766.db2.gz SPJBWWAVJXRNRV-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1[O-] ZINC001560853179 991621773 /nfs/dbraw/zinc/62/17/73/991621773.db2.gz SPJBWWAVJXRNRV-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@]1(NCc2cc(F)c(F)cc2[O-])CC[NH2+]C1 ZINC001573627303 992658637 /nfs/dbraw/zinc/65/86/37/992658637.db2.gz ZCEAUSTWDIWKQN-GFCCVEGCSA-N 0 1 242.269 1.512 20 10 BDCDMN Cc1cc(O)c(C[N@@H+](CCO)C2CC2)cc1C ZINC000271079218 178194923 /nfs/dbraw/zinc/19/49/23/178194923.db2.gz QEHMFXPSJNDUOD-UHFFFAOYSA-N 0 1 235.327 1.966 20 10 BDCDMN Cc1cccc(CN[C@@H](C)c2ncnn2C)c1O ZINC000276411310 179097446 /nfs/dbraw/zinc/09/74/46/179097446.db2.gz FILQQLLEUIGTFI-JTQLQIEISA-N 0 1 246.314 1.680 20 10 BDCDMN C[C@H](NCc1nccn1C)c1ccccc1O ZINC000071273072 384159987 /nfs/dbraw/zinc/15/99/87/384159987.db2.gz YYPMOROQHVKZLN-JTQLQIEISA-N 0 1 231.299 1.977 20 10 BDCDMN CC(C)[N@@H+](CC(N)=O)Cc1cccc(F)c1[O-] ZINC000160213602 384394270 /nfs/dbraw/zinc/39/42/70/384394270.db2.gz LJWVOTIMYVBOLY-UHFFFAOYSA-N 0 1 240.278 1.227 20 10 BDCDMN CN(CC(=O)N1CCCC1)Cc1ccccc1O ZINC000121145340 384401194 /nfs/dbraw/zinc/40/11/94/384401194.db2.gz GLNUAGICQSGJAZ-UHFFFAOYSA-N 0 1 248.326 1.446 20 10 BDCDMN CN(Cc1cncn1C)Cc1ccccc1O ZINC000177065176 385173078 /nfs/dbraw/zinc/17/30/78/385173078.db2.gz URBNJKSJZLFGOZ-UHFFFAOYSA-N 0 1 231.299 1.758 20 10 BDCDMN CN(Cc1nnc[nH]1)Cc1cccc(F)c1O ZINC000272236196 385885850 /nfs/dbraw/zinc/88/58/50/385885850.db2.gz FSNIUNHNQCKYEV-UHFFFAOYSA-N 0 1 236.250 1.281 20 10 BDCDMN CCN(CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000294649854 385878936 /nfs/dbraw/zinc/87/89/36/385878936.db2.gz QMDUPFHHTRPRAG-UHFFFAOYSA-N 0 1 249.358 1.368 20 10 BDCDMN C[N@H+](Cc1cccc(F)c1[O-])C[C@@H]1CCOC1 ZINC000272474948 389031205 /nfs/dbraw/zinc/03/12/05/389031205.db2.gz SCGPDPDZYHHWMY-JTQLQIEISA-N 0 1 239.290 2.000 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]CCO)c(Cl)c1 ZINC000840875775 582873508 /nfs/dbraw/zinc/87/35/08/582873508.db2.gz HKNLHLGBRRTBDF-UHFFFAOYSA-N 0 1 215.680 1.436 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894450281 583461589 /nfs/dbraw/zinc/46/15/89/583461589.db2.gz HELPOFBMFRLNBW-ZETCQYMHSA-N 0 1 231.242 1.483 20 10 BDCDMN CC1(O)CN(Cc2cc(F)cc(F)c2O)C1 ZINC000894976637 583562301 /nfs/dbraw/zinc/56/23/01/583562301.db2.gz MORGQEHGGBINJB-UHFFFAOYSA-N 0 1 229.226 1.237 20 10 BDCDMN [O-]c1c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc(F)c1F ZINC000895645665 583700766 /nfs/dbraw/zinc/70/07/66/583700766.db2.gz RZBGOFYUHCLHNF-UFBFGSQYSA-N 0 1 241.237 1.237 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1O ZINC000897684466 584040562 /nfs/dbraw/zinc/04/05/62/584040562.db2.gz PPMTWQJDBJEWHT-JOYOIKCWSA-N 0 1 207.273 1.205 20 10 BDCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CC[C@@H]1CO ZINC000902631548 584647319 /nfs/dbraw/zinc/64/73/19/584647319.db2.gz YXIOSPDWMQFKFO-LLVKDONJSA-N 0 1 244.294 1.507 20 10 BDCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CC[C@@H]1CO ZINC000902631548 584647320 /nfs/dbraw/zinc/64/73/20/584647320.db2.gz YXIOSPDWMQFKFO-LLVKDONJSA-N 0 1 244.294 1.507 20 10 BDCDMN CN1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731864902 584929977 /nfs/dbraw/zinc/92/99/77/584929977.db2.gz DJAROXZUMRLSRK-UHFFFAOYSA-N 0 1 240.328 1.278 20 10 BDCDMN CCOc1ccc(C[N@@H+](CC)CCO)c(O)c1 ZINC000768140172 585532705 /nfs/dbraw/zinc/53/27/05/585532705.db2.gz DNEGLBVNQUPIFR-UHFFFAOYSA-N 0 1 239.315 1.605 20 10 BDCDMN Cc1nc(COC(=O)C2=CC(=O)CS2)n[nH]1 ZINC000795405808 586077526 /nfs/dbraw/zinc/07/75/26/586077526.db2.gz 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C[C@@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877076661 590278798 /nfs/dbraw/zinc/27/87/98/590278798.db2.gz OURUEYRNRRRSJL-VIFPVBQESA-N 0 1 221.304 1.182 20 10 BDCDMN Cc1ccc(C[N@H+](C)C[C@@H](C)O)c(O)c1 ZINC000877320679 590315689 /nfs/dbraw/zinc/31/56/89/590315689.db2.gz QEBVBNOJXLNNDX-SNVBAGLBSA-N 0 1 209.289 1.513 20 10 BDCDMN Cc1ccc(CN2CC[C@@](F)(CO)C2)c(O)c1 ZINC000877503770 590342229 /nfs/dbraw/zinc/34/22/29/590342229.db2.gz AGPQUKPNUAIFTA-ZDUSSCGKSA-N 0 1 239.290 1.607 20 10 BDCDMN Cc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(O)c1 ZINC000877631956 590378061 /nfs/dbraw/zinc/37/80/61/590378061.db2.gz WYGLDQQNFKNEPI-GXTWGEPZSA-N 0 1 233.311 1.657 20 10 BDCDMN C[C@@H](O)C[N@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130639729 591490244 /nfs/dbraw/zinc/49/02/44/591490244.db2.gz QCHQLSNQXBZIKK-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1[O-] ZINC000130639729 591490247 /nfs/dbraw/zinc/49/02/47/591490247.db2.gz QCHQLSNQXBZIKK-MRVPVSSYSA-N 0 1 229.707 1.858 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1c(O)ccc2ccncc21 ZINC000739631458 597053591 /nfs/dbraw/zinc/05/35/91/597053591.db2.gz HGIPSMLTPBSRRH-UHFFFAOYSA-N 0 1 246.266 1.457 20 10 BDCDMN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000086729589 598211714 /nfs/dbraw/zinc/21/17/14/598211714.db2.gz CPLUGEMCYWPPAX-LLVKDONJSA-N 0 1 235.283 1.831 20 10 BDCDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2O)C1 ZINC000086779471 604788480 /nfs/dbraw/zinc/78/84/80/604788480.db2.gz VLLYLIIKPBRYSC-ZDUSSCGKSA-N 0 1 235.283 1.689 20 10 BDCDMN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000236443032 605473659 /nfs/dbraw/zinc/47/36/59/605473659.db2.gz NVPRHXRPIHPKDL-SNVBAGLBSA-N 0 1 239.246 1.580 20 10 BDCDMN C[C@@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1[O-] ZINC000925869667 635581513 /nfs/dbraw/zinc/58/15/13/635581513.db2.gz OHVAIEVVLWOQAY-APPZFPTMSA-N 0 1 242.706 1.600 20 10 BDCDMN Cn1ccc(CNCc2cc(F)ccc2O)n1 ZINC000226618361 635437833 /nfs/dbraw/zinc/43/78/33/635437833.db2.gz YFGKPBMVSVEMBK-UHFFFAOYSA-N 0 1 235.262 1.555 20 10 BDCDMN NOCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000904455715 637416302 /nfs/dbraw/zinc/41/63/02/637416302.db2.gz AKHORJQMDCBPOA-UHFFFAOYSA-N 0 1 230.695 1.416 20 10 BDCDMN COc1ccc(O)c([C@@H](C)NCc2cc[nH]n2)c1 ZINC000041014226 641539093 /nfs/dbraw/zinc/53/90/93/641539093.db2.gz QIMWIHCWXSVIDB-SECBINFHSA-N 0 1 247.298 1.975 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000070880908 643075494 /nfs/dbraw/zinc/07/54/94/643075494.db2.gz RAIQJKRIBQUSSJ-LBPRGKRZSA-N 0 1 241.718 1.906 20 10 BDCDMN CC[N@@H+](CCC(=O)[O-])Cc1ccccc1O ZINC000083406470 644404763 /nfs/dbraw/zinc/40/47/63/644404763.db2.gz GYYUDPAOXVXOAR-UHFFFAOYSA-N 0 1 223.272 1.689 20 10 BDCDMN C[C@@H](C[N@@H+](C)Cc1ccccc1O)C(=O)[O-] ZINC000083415489 644404921 /nfs/dbraw/zinc/40/49/21/644404921.db2.gz OFTPSYAJYAQYNP-VIFPVBQESA-N 0 1 223.272 1.545 20 10 BDCDMN COc1cccc(CNCc2cnc(C)o2)c1O ZINC000397927186 711396710 /nfs/dbraw/zinc/39/67/10/711396710.db2.gz RVHOXDHPUQFHKU-UHFFFAOYSA-N 0 1 248.282 1.987 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707593124 712175579 /nfs/dbraw/zinc/17/55/79/712175579.db2.gz GNPPJHCXBAHZGN-DKTWLAJQSA-N 0 1 241.718 1.906 20 10 BDCDMN C[C@H](N[C@@H](C)c1ccccc1O)c1nncn1C ZINC000037017446 712529207 /nfs/dbraw/zinc/52/92/07/712529207.db2.gz MVVIGOBWSNPIOU-UWVGGRQHSA-N 0 1 246.314 1.933 20 10 BDCDMN C[C@@H](NCc1nncn1C)c1ccccc1O ZINC000038007599 712798812 /nfs/dbraw/zinc/79/88/12/712798812.db2.gz XZDXUDHVSZOJMG-SECBINFHSA-N 0 1 232.287 1.372 20 10 BDCDMN [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001236169129 966285567 /nfs/dbraw/zinc/28/55/67/966285567.db2.gz AVWJYVXOLWSHCG-MRVPVSSYSA-N 0 1 228.242 1.203 20 10 BDCDMN CN(Cc1ccc(O)c(O)c1)[C@H]1CCOC1 ZINC001203882605 982584105 /nfs/dbraw/zinc/58/41/05/982584105.db2.gz NKHOHTODDYWBBN-JTQLQIEISA-N 0 1 223.272 1.319 20 10 BDCDMN C[C@@H](C[N@@H+](C)Cc1cccc(F)c1O)C(=O)[O-] ZINC001589033779 982586665 /nfs/dbraw/zinc/58/66/65/982586665.db2.gz CXOQKNZVBKFKRW-QMMMGPOBSA-N 0 1 241.262 1.684 20 10 BDCDMN CN1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2[O-])C1 ZINC000310487143 971973405 /nfs/dbraw/zinc/97/34/05/971973405.db2.gz GGDSNROVRBROFI-LLVKDONJSA-N 0 1 238.306 1.667 20 10 BDCDMN C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000160800735 958234178 /nfs/dbraw/zinc/23/41/78/958234178.db2.gz NOIHHLLVZRFTGE-ZETCQYMHSA-N 0 1 242.706 1.399 20 10 BDCDMN CCn1cc(CNCc2cc(C)ccc2O)nn1 ZINC000404485447 959294231 /nfs/dbraw/zinc/29/42/31/959294231.db2.gz AZPSVURHFMYBGN-UHFFFAOYSA-N 0 1 246.314 1.602 20 10 BDCDMN CCN(Cc1c[nH]nn1)Cc1ccccc1O ZINC001203206701 959369211 /nfs/dbraw/zinc/36/92/11/959369211.db2.gz DNZOKKDAQMWEGZ-UHFFFAOYSA-N 0 1 232.287 1.532 20 10 BDCDMN COCC[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142502520 961458764 /nfs/dbraw/zinc/45/87/64/961458764.db2.gz QSCVESKUAQUZDS-UHFFFAOYSA-N 0 1 231.242 1.749 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001142502269 961459052 /nfs/dbraw/zinc/45/90/52/961459052.db2.gz LYBPPICEUVPXMK-SECBINFHSA-N 0 1 243.253 1.627 20 10 BDCDMN N[C@@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC001206656602 963124325 /nfs/dbraw/zinc/12/43/25/963124325.db2.gz MLWTYIKFOIFCIX-LLVKDONJSA-N 0 1 242.269 1.561 20 10 BDCDMN OCC1CN(Cc2cc(Cl)ccc2O)C1 ZINC001203657761 966726580 /nfs/dbraw/zinc/72/65/80/966726580.db2.gz NBWUTQAZMJTXCE-UHFFFAOYSA-N 0 1 227.691 1.470 20 10 BDCDMN CC1(O)CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874779 966805769 /nfs/dbraw/zinc/80/57/69/966805769.db2.gz CUWNWJOGMRVJIZ-UHFFFAOYSA-N 0 1 237.299 1.445 20 10 BDCDMN Oc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001204272800 966950665 /nfs/dbraw/zinc/95/06/65/966950665.db2.gz SIEZIZJIQYQALN-TXEJJXNPSA-N 0 1 235.283 1.461 20 10 BDCDMN CC1(C)COCCN1Cc1ccc(O)cc1O ZINC001204274715 966950738 /nfs/dbraw/zinc/95/07/38/966950738.db2.gz HIMRCNAOQLVIRJ-UHFFFAOYSA-N 0 1 237.299 1.709 20 10 BDCDMN Cn1cncc1CN1CCc2cccc(O)c2C1 ZINC001204386424 966986533 /nfs/dbraw/zinc/98/65/33/966986533.db2.gz BSNXDMUNWWWJMO-UHFFFAOYSA-N 0 1 243.310 1.684 20 10 BDCDMN COc1ccc(O)c(Nc2ccncc2OC)c1 ZINC001211260356 970202838 /nfs/dbraw/zinc/20/28/38/970202838.db2.gz LNVQCGNMVIYINK-UHFFFAOYSA-N 0 1 246.266 1.970 20 10 BDCDMN COc1cnccc1Nc1cc(N)c(O)cc1O ZINC001211264340 970209873 /nfs/dbraw/zinc/20/98/73/970209873.db2.gz DJSFKXMOGJSANR-UHFFFAOYSA-N 0 1 247.254 1.249 20 10 BDCDMN COc1cnccc1Nc1c(N)cccc1O ZINC001211264688 970211067 /nfs/dbraw/zinc/21/10/67/970211067.db2.gz IPVISTSAGORRMN-UHFFFAOYSA-N 0 1 231.255 1.544 20 10 BDCDMN C[C@@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233009787 978406275 /nfs/dbraw/zinc/40/62/75/978406275.db2.gz ATHUMYVVSDXSRI-MRVPVSSYSA-N 0 1 223.272 1.788 20 10 BDCDMN CN(Cc1cc(O)c(O)c(O)c1)C1CC1 ZINC001233010868 978415661 /nfs/dbraw/zinc/41/56/61/978415661.db2.gz WAQPKGVKHQVBQW-UHFFFAOYSA-N 0 1 209.245 1.398 20 10 BDCDMN Oc1c(CN2CC3(CCO3)C2)ccc(F)c1F ZINC001233078350 978464086 /nfs/dbraw/zinc/46/40/86/978464086.db2.gz RVHZZTHYRVLNDT-UHFFFAOYSA-N 0 1 241.237 1.645 20 10 BDCDMN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1O ZINC001600532813 978699710 /nfs/dbraw/zinc/69/97/10/978699710.db2.gz WRXPQWFWSCIUNR-ZYHUDNBSSA-N 0 1 249.310 1.996 20 10 BDCDMN C/C(=C\C(=O)[O-])C[N@H+](C)Cc1ccccc1O ZINC001602955220 979339629 /nfs/dbraw/zinc/33/96/29/979339629.db2.gz MZMBGHVZPPAJSI-JXMROGBWSA-N 0 1 235.283 1.855 20 10 BDCDMN [O-]c1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236284272 979488739 /nfs/dbraw/zinc/48/87/39/979488739.db2.gz HIQVGGJXWLHXJI-ONGXEEELSA-N 0 1 238.718 1.449 20 10 BDCDMN C[C@@H](N)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260770 979602619 /nfs/dbraw/zinc/60/26/19/979602619.db2.gz YRZSNSJWUZYLEF-SFYZADRCSA-N 0 1 238.287 1.088 20 10 BDCDMN CC(=O)N(C)C1CN(Cc2c(C)cccc2O)C1 ZINC001237490420 979916236 /nfs/dbraw/zinc/91/62/36/979916236.db2.gz USBUBGISYHHXFJ-UHFFFAOYSA-N 0 1 248.326 1.363 20 10 BDCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(CO)C1 ZINC001237620467 979976893 /nfs/dbraw/zinc/97/68/93/979976893.db2.gz MYYMCVFLTATYGF-UHFFFAOYSA-N 0 1 245.681 1.609 20 10 BDCDMN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c(O)c1 ZINC001607781316 980128580 /nfs/dbraw/zinc/12/85/80/980128580.db2.gz OTZLAOMIWGPOOB-ZYHUDNBSSA-N 0 1 249.310 1.853 20 10 BDCDMN Cc1cc(C)c(CNC(=O)c2cnn[nH]2)c(O)c1 ZINC001189354396 980781977 /nfs/dbraw/zinc/78/19/77/980781977.db2.gz AKQMXBABPLCPEI-UHFFFAOYSA-N 0 1 246.270 1.057 20 10 BDCDMN Cn1ccc(-c2cccn3cncc23)cc1=O ZINC001240996078 982077319 /nfs/dbraw/zinc/07/73/19/982077319.db2.gz NIBJFBPHRAPVER-UHFFFAOYSA-N 0 1 225.251 1.700 20 10 BDCDMN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875822 982558772 /nfs/dbraw/zinc/55/87/72/982558772.db2.gz WKJBFTLGZWXLLB-MWLCHTKSSA-N 0 1 237.299 1.301 20 10 BDCDMN C[C@@H](C[N@H+](C)Cc1cccc(F)c1O)C(=O)[O-] ZINC001589033779 982586659 /nfs/dbraw/zinc/58/66/59/982586659.db2.gz CXOQKNZVBKFKRW-QMMMGPOBSA-N 0 1 241.262 1.684 20 10 BDCDMN C[C@H](C[NH2+][C@H](C)c1c(O)cccc1F)C(=O)[O-] ZINC001589067337 982600327 /nfs/dbraw/zinc/60/03/27/982600327.db2.gz JFHPWHRKFCAMCY-HTQZYQBOSA-N 0 1 241.262 1.903 20 10 BDCDMN C[N@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1O ZINC001593721385 983346012 /nfs/dbraw/zinc/34/60/12/983346012.db2.gz NQPUWLBLLNFTCT-UHFFFAOYSA-N 0 1 247.653 1.701 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cc(Cl)c(F)cc1O ZINC001593721385 983346020 /nfs/dbraw/zinc/34/60/20/983346020.db2.gz NQPUWLBLLNFTCT-UHFFFAOYSA-N 0 1 247.653 1.701 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)cc1Cl ZINC000826100516 983969839 /nfs/dbraw/zinc/96/98/39/983969839.db2.gz QKGZMLNXEKKTOD-AOOOYVTPSA-N 0 1 241.718 1.967 20 10 BDCDMN Nc1ccc(CNC(=O)c2[nH]ncc2F)cc1 ZINC001580445390 986853175 /nfs/dbraw/zinc/85/31/75/986853175.db2.gz BFOBHNAGCARYRM-UHFFFAOYSA-N 0 1 234.234 1.061 20 10 BDCDMN CC[N@@H+](Cc1cccc(F)c1[O-])C1CN(C)C1 ZINC001138129615 990886500 /nfs/dbraw/zinc/88/65/00/990886500.db2.gz NGYWNWPEEHQDSD-UHFFFAOYSA-N 0 1 238.306 1.667 20 10 BDCDMN COC(C[N@@H+](C)Cc1cccc(F)c1[O-])OC ZINC001138128755 990886824 /nfs/dbraw/zinc/88/68/24/990886824.db2.gz XQETVTCBBCQVGT-UHFFFAOYSA-N 0 1 243.278 1.582 20 10 BDCDMN CC[N@@H+](CCCO)Cc1cc(F)c(F)cc1[O-] ZINC001308600938 991055650 /nfs/dbraw/zinc/05/56/50/991055650.db2.gz OMQHJBBUUGWYHA-UHFFFAOYSA-N 0 1 245.269 1.875 20 10 BDCDMN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([O-])c(F)ccc1F ZINC001139685718 991317328 /nfs/dbraw/zinc/31/73/28/991317328.db2.gz UYLZWCGQBOQHJJ-HTQZYQBOSA-N 0 1 243.253 1.626 20 10 BDCDMN Oc1cccc2c1CN(Cc1cccnn1)CC2 ZINC001139973846 991445402 /nfs/dbraw/zinc/44/54/02/991445402.db2.gz LSBQNFACTVXKSQ-UHFFFAOYSA-N 0 1 241.294 1.741 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CC[C@H](CO)C1 ZINC001140466434 991644310 /nfs/dbraw/zinc/64/43/10/991644310.db2.gz FNSNFDWKLMFWDV-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC001140466434 991644313 /nfs/dbraw/zinc/64/43/13/991644313.db2.gz FNSNFDWKLMFWDV-VIFPVBQESA-N 0 1 241.718 1.860 20 10 BDCDMN Cc1cccc(CN2CCOC[C@H]2C)c1O ZINC000162813610 179078876 /nfs/dbraw/zinc/07/88/76/179078876.db2.gz HLSLAWRMBLJUNJ-LLVKDONJSA-N 0 1 221.300 1.921 20 10 BDCDMN Cc1ccc(O)c(CN(C)Cc2nnc[nH]2)c1 ZINC000179797244 385491871 /nfs/dbraw/zinc/49/18/71/385491871.db2.gz BLOBJIWTWDEMHY-UHFFFAOYSA-N 0 1 232.287 1.451 20 10 BDCDMN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)C[C@H]1O ZINC000272038309 385870179 /nfs/dbraw/zinc/87/01/79/385870179.db2.gz ZRIADYVQSWNTBG-DGCLKSJQSA-N 0 1 235.327 1.903 20 10 BDCDMN O=C1CCN(CNCc2ccccc2O)CC1 ZINC000275720490 386233420 /nfs/dbraw/zinc/23/34/20/386233420.db2.gz MAUZHZYHKLJANX-UHFFFAOYSA-N 0 1 234.299 1.104 20 10 BDCDMN C[C@H](O)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000291032120 386501576 /nfs/dbraw/zinc/50/15/76/386501576.db2.gz FHCDIKSGRQHBJV-QMMMGPOBSA-N 0 1 213.252 1.344 20 10 BDCDMN Cc1ccc(O)c(CN2CCO[C@@H](CF)C2)c1 ZINC000840955389 583183319 /nfs/dbraw/zinc/18/33/19/583183319.db2.gz UMIOPGPGQMNWBF-LBPRGKRZSA-N 0 1 239.290 1.871 20 10 BDCDMN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H](C)CO ZINC000894831519 583528353 /nfs/dbraw/zinc/52/83/53/583528353.db2.gz OIXAYVOUMDRMTH-MRVPVSSYSA-N 0 1 245.269 1.873 20 10 BDCDMN Cc1ccc(O)c(CNCc2cn(C)cn2)c1 ZINC000858239570 588940427 /nfs/dbraw/zinc/94/04/27/588940427.db2.gz PREQEAQSSQGJDK-UHFFFAOYSA-N 0 1 231.299 1.724 20 10 BDCDMN C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1O ZINC000897684465 584040524 /nfs/dbraw/zinc/04/05/24/584040524.db2.gz PPMTWQJDBJEWHT-CABZTGNLSA-N 0 1 207.273 1.205 20 10 BDCDMN COc1cccc(CNCc2cn(C)cn2)c1O ZINC000898045240 584072868 /nfs/dbraw/zinc/07/28/68/584072868.db2.gz JUNOXILWPARAFD-UHFFFAOYSA-N 0 1 247.298 1.424 20 10 BDCDMN Cc1cccc(O)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC000898188126 584093815 /nfs/dbraw/zinc/09/38/15/584093815.db2.gz KGDUNVCQJLOXQC-WCQYABFASA-N 0 1 239.290 1.605 20 10 BDCDMN [NH3+]C1(CNCc2cc(F)ccc2O)CCC1 ZINC000841049243 584124949 /nfs/dbraw/zinc/12/49/49/584124949.db2.gz PNINAMWAINBNMM-UHFFFAOYSA-N 0 1 224.279 1.502 20 10 BDCDMN C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000841076376 584742848 /nfs/dbraw/zinc/74/28/48/584742848.db2.gz GPROOTBQXCIIBI-YUMQZZPRSA-N 0 1 212.268 1.357 20 10 BDCDMN COc1cccc(CN2CC(C)(CO)C2)c1O ZINC000839145485 585092096 /nfs/dbraw/zinc/09/20/96/585092096.db2.gz LYEOYAWDMJVOAG-UHFFFAOYSA-N 0 1 237.299 1.215 20 10 BDCDMN CN1CC(=O)N[C@H]1c1cc(Cl)cc(F)c1O ZINC000768273044 585535318 /nfs/dbraw/zinc/53/53/18/585535318.db2.gz CZGQARJYMZSCHV-SNVBAGLBSA-N 0 1 244.653 1.245 20 10 BDCDMN Cc1ccc(O)c(C[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000770377674 585573460 /nfs/dbraw/zinc/57/34/60/585573460.db2.gz BDCUJJLZVNJWAF-NSHDSACASA-N 0 1 234.299 1.021 20 10 BDCDMN Cc1ccc(O)c(CN(C)[C@H]2CCNC2=O)c1 ZINC000770377674 585573461 /nfs/dbraw/zinc/57/34/61/585573461.db2.gz BDCUJJLZVNJWAF-NSHDSACASA-N 0 1 234.299 1.021 20 10 BDCDMN CC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639363 585682144 /nfs/dbraw/zinc/68/21/44/585682144.db2.gz VSDZSHSYIULCJV-UHFFFAOYSA-N 0 1 247.697 1.999 20 10 BDCDMN Cc1cccc(CN2CCCNC(=O)C2)c1O ZINC000775663688 585682628 /nfs/dbraw/zinc/68/26/28/585682628.db2.gz NFOLRIJFTHJTMF-UHFFFAOYSA-N 0 1 234.299 1.023 20 10 BDCDMN C[N@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000820568729 587055273 /nfs/dbraw/zinc/05/52/73/587055273.db2.gz BFHIGVWSKVKDMX-UHFFFAOYSA-N 0 1 213.208 1.048 20 10 BDCDMN C[N@@H+](CC(=O)[O-])Cc1cccc(F)c1O ZINC000820568729 587055274 /nfs/dbraw/zinc/05/52/74/587055274.db2.gz BFHIGVWSKVKDMX-UHFFFAOYSA-N 0 1 213.208 1.048 20 10 BDCDMN C[N@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000820586354 587056650 /nfs/dbraw/zinc/05/66/50/587056650.db2.gz UUJKQVHURPYXRD-UHFFFAOYSA-N 0 1 227.235 1.438 20 10 BDCDMN C[N@@H+](CCC(=O)[O-])Cc1cccc(F)c1O ZINC000820586354 587056652 /nfs/dbraw/zinc/05/66/52/587056652.db2.gz UUJKQVHURPYXRD-UHFFFAOYSA-N 0 1 227.235 1.438 20 10 BDCDMN COc1cccc(O)c1C[N@@H+](C)CCC(=O)[O-] ZINC000820871071 587078819 /nfs/dbraw/zinc/07/88/19/587078819.db2.gz NOCKIFFFYNEACG-UHFFFAOYSA-N 0 1 239.271 1.307 20 10 BDCDMN Cc1cccc(C[N@@H+](C)CC(=O)[O-])c1O ZINC000821112031 587096542 /nfs/dbraw/zinc/09/65/42/587096542.db2.gz GLSLEWMJZBNVEA-UHFFFAOYSA-N 0 1 209.245 1.217 20 10 BDCDMN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825256990 587311214 /nfs/dbraw/zinc/31/12/14/587311214.db2.gz PWMFBZJZGQOEMI-AOOOYVTPSA-N 0 1 227.691 1.659 20 10 BDCDMN C[N@@H+](Cc1cc(F)ccc1O)C1(CO)CC1 ZINC000827903782 587408838 /nfs/dbraw/zinc/40/88/38/587408838.db2.gz OVWLLVZVWOPFHP-UHFFFAOYSA-N 0 1 225.263 1.488 20 10 BDCDMN CN1CC(=O)N[C@H]1c1cc(Cl)c(F)cc1O ZINC000840806313 587922734 /nfs/dbraw/zinc/92/27/34/587922734.db2.gz ZTCCDLROUWKIJK-SNVBAGLBSA-N 0 1 244.653 1.245 20 10 BDCDMN Cc1cc([O-])c(C[NH2+]CCCO)c(Cl)c1 ZINC000840871576 587926538 /nfs/dbraw/zinc/92/65/38/587926538.db2.gz DGZYOICWHNUKKB-UHFFFAOYSA-N 0 1 229.707 1.826 20 10 BDCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)CO)c(Cl)c1 ZINC000840903712 587928686 /nfs/dbraw/zinc/92/86/86/587928686.db2.gz HWVALNXRNPNGGT-QMMMGPOBSA-N 0 1 229.707 1.824 20 10 BDCDMN COc1cccc([C@@H](C)NCc2cc[nH]n2)c1O ZINC000846148161 588258663 /nfs/dbraw/zinc/25/86/63/588258663.db2.gz XUFGKJLBMGEZGO-SECBINFHSA-N 0 1 247.298 1.975 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417959 588545153 /nfs/dbraw/zinc/54/51/53/588545153.db2.gz SQSKGLOHNIBGBS-ZKCHVHJHSA-N 0 1 227.691 1.659 20 10 BDCDMN CCN1CC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000851841493 588634442 /nfs/dbraw/zinc/63/44/42/588634442.db2.gz UBISZYARWFDVJO-GFCCVEGCSA-N 0 1 248.326 1.445 20 10 BDCDMN Cc1ccc(O)c(CNC(=O)C(F)(F)F)c1 ZINC000862758733 589237723 /nfs/dbraw/zinc/23/77/23/589237723.db2.gz IXKSUFVDTLCXQR-UHFFFAOYSA-N 0 1 233.189 1.879 20 10 BDCDMN [O-]c1c(C[N@@H+]2CCC[C@@H](O)C2)ccc(F)c1F ZINC000876527345 590209133 /nfs/dbraw/zinc/20/91/33/590209133.db2.gz AXEDMAKIUSPEPL-SECBINFHSA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1c(C[N@@H+]2CCC[C@@H]2CO)ccc(F)c1F ZINC000876561435 590216013 /nfs/dbraw/zinc/21/60/13/590216013.db2.gz KBWXUPAJYJVPMC-SECBINFHSA-N 0 1 243.253 1.627 20 10 BDCDMN [O-]c1c(C[N@@H+]2CC[C@H](CO)C2)ccc(F)c1F ZINC000876660520 590227483 /nfs/dbraw/zinc/22/74/83/590227483.db2.gz UUAVZFDMXLZSIA-QMMMGPOBSA-N 0 1 243.253 1.485 20 10 BDCDMN Cc1cccc(O)c1C[N@H+](C)C[C@H](C)O ZINC000877320727 590315725 /nfs/dbraw/zinc/31/57/25/590315725.db2.gz SMVGCDMLSBGWNO-JTQLQIEISA-N 0 1 209.289 1.513 20 10 BDCDMN Cc1cccc(O)c1C[N@@H+](C)CCC(N)=O ZINC000877520811 590345600 /nfs/dbraw/zinc/34/56/00/590345600.db2.gz IONCPGMLEWQERC-UHFFFAOYSA-N 0 1 222.288 1.008 20 10 BDCDMN Cc1cccc(O)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000877631831 590377870 /nfs/dbraw/zinc/37/78/70/590377870.db2.gz VXXAVTITFAEUIB-SMDDNHRTSA-N 0 1 233.311 1.657 20 10 BDCDMN Cc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000086790161 598130261 /nfs/dbraw/zinc/13/02/61/598130261.db2.gz ICSHEPYACGRASV-JTQLQIEISA-N 0 1 235.283 1.607 20 10 BDCDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(F)ccc1O ZINC000235493587 598211258 /nfs/dbraw/zinc/21/12/58/598211258.db2.gz ITDJWMHZCPQLOA-ZETCQYMHSA-N 0 1 227.235 1.436 20 10 BDCDMN CN(C)c1ccc(C[N@@H+](C)CCC(=O)[O-])cc1 ZINC000033465779 642164815 /nfs/dbraw/zinc/16/48/15/642164815.db2.gz GKQFVLVDOPGUCQ-UHFFFAOYSA-N 0 1 236.315 1.659 20 10 BDCDMN COc1cccc(CNCc2ccno2)c1O ZINC000231881923 643319242 /nfs/dbraw/zinc/31/92/42/643319242.db2.gz GZOHMLRMUONJCO-UHFFFAOYSA-N 0 1 234.255 1.679 20 10 BDCDMN Cc1ccc(O)c(CN2CCCNC(=O)C2)c1 ZINC000769113964 644678544 /nfs/dbraw/zinc/67/85/44/644678544.db2.gz FXSCNFSVDGKKKR-UHFFFAOYSA-N 0 1 234.299 1.023 20 10 BDCDMN C[C@@H](N[C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925870856 646522303 /nfs/dbraw/zinc/52/23/03/646522303.db2.gz XQXMNSXBMVJELC-PWSUYJOCSA-N 0 1 235.331 1.307 20 10 BDCDMN C[C@H]1COCCN1Cc1cc(F)cc(F)c1O ZINC000708415587 712193931 /nfs/dbraw/zinc/19/39/31/712193931.db2.gz ZJTUHHFGVQCOSX-QMMMGPOBSA-N 0 1 243.253 1.891 20 10 BDCDMN CCc1cccc(CN(CC)CC(N)=O)c1O ZINC000709322425 712219832 /nfs/dbraw/zinc/21/98/32/712219832.db2.gz YMUZBYRZOAILHZ-UHFFFAOYSA-N 0 1 236.315 1.262 20 10 BDCDMN [O-]c1cccc(Cl)c1C[NH2+]C/C=C/CO ZINC000717536375 712660891 /nfs/dbraw/zinc/66/08/91/712660891.db2.gz XXBKHSLRCJHQFF-OWOJBTEDSA-N 0 1 227.691 1.684 20 10 BDCDMN Oc1ccccc1CN[C@H]1CCn2ccnc21 ZINC000393962927 711180321 /nfs/dbraw/zinc/18/03/21/711180321.db2.gz VKUCRYNSWZQDPP-NSHDSACASA-N 0 1 229.283 1.823 20 10 BDCDMN CN1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000712569760 712447065 /nfs/dbraw/zinc/44/70/65/712447065.db2.gz CFEDBZDGEAIKGZ-NSHDSACASA-N 0 1 240.734 1.839 20 10 BDCDMN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC001142521031 961473038 /nfs/dbraw/zinc/47/30/38/961473038.db2.gz UZLZEMGFUAZPOE-QMMMGPOBSA-N 0 1 243.253 1.485 20 10 BDCDMN